USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 731 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 79 THR OG1 : rot -157:sc= 0.107 USER MOD Set 1.2: A 82 GLN : amide:sc= 1.86 K(o=2,f=-3.3) USER MOD Single : A 1 MET CE :methyl -160:sc= -0.15 (180deg=-0.625) USER MOD Single : A 1 MET N :NH3+ -122:sc= 1.23 (180deg=-0.0482) USER MOD Single : A 5 SER OG : rot 180:sc= 0.136 USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=-0.0024) USER MOD Single : A 7 ASN : amide:sc= -0.04 X(o=-0.04,f=-0.27) USER MOD Single : A 9 HIS : no HD1:sc= -1.22 K(o=-1.2,f=-0.079) USER MOD Single : A 18 THR OG1 : rot -123:sc= -0.751! USER MOD Single : A 34 SER OG : rot 29:sc= 0.46 USER MOD Single : A 35 SER OG : rot 155:sc= 0.918 USER MOD Single : A 37 MET CE :methyl -160:sc= -0.417 (180deg=-1) USER MOD Single : A 38 HIS : no HE2:sc= 1.19 K(o=1.2,f=-3.9!) USER MOD Single : A 44 ASN : amide:sc= 0.012 K(o=0.012,f=-0.55) USER MOD Single : A 46 SER OG : rot 178:sc= -0.0159 USER MOD Single : A 47 SER OG : rot 102:sc= 1.16 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -166:sc= 2.43 (180deg=2.38) USER MOD Single : A 60 ASN : amide:sc= -0.208 K(o=-0.21,f=-0.81) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot -74:sc= 0.12 USER MOD Single : A 66 SER OG : rot 180:sc=0.000459 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= -0.386 K(o=-0.39,f=-1.4) USER MOD Single : A 76 GLN : amide:sc= -0.717 K(o=-0.72,f=0) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= 0.645 K(o=0.64,f=-0.87) USER MOD Single : A 83 ASN : amide:sc= 1.72 K(o=1.7,f=-8.1!) USER MOD Single : A 92 SER OG : rot -82:sc= 0.889 USER MOD Single : A 97 ASN : amide:sc= 1.14 K(o=1.1,f=-0.72) USER MOD Single : A 100 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.101) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.922 -2.824 -2.751 1.00 0.00 N ATOM 2 CA MET A 1 -13.149 -4.048 -2.469 1.00 0.00 C ATOM 3 C MET A 1 -12.167 -4.314 -3.598 1.00 0.00 C ATOM 4 O MET A 1 -12.528 -4.258 -4.771 1.00 0.00 O ATOM 5 CB MET A 1 -14.101 -5.239 -2.299 1.00 0.00 C ATOM 6 CG MET A 1 -13.391 -6.554 -2.025 1.00 0.00 C ATOM 7 SD MET A 1 -14.528 -7.937 -1.824 1.00 0.00 S ATOM 8 CE MET A 1 -15.468 -7.409 -0.393 1.00 0.00 C ATOM 0 H1 MET A 1 -13.787 -2.142 -1.977 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.594 -2.404 -3.644 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.931 -3.062 -2.831 1.00 0.00 H new ATOM 0 HA MET A 1 -12.589 -3.912 -1.544 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.788 -5.029 -1.479 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.704 -5.343 -3.201 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.707 -6.769 -2.846 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.786 -6.454 -1.124 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.948 -8.273 0.066 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.799 -6.940 0.329 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.229 -6.692 -0.702 1.00 0.00 H new ATOM 20 N LEU A 2 -10.927 -4.598 -3.236 1.00 0.00 N ATOM 21 CA LEU A 2 -9.886 -4.856 -4.207 1.00 0.00 C ATOM 22 C LEU A 2 -9.933 -6.314 -4.628 1.00 0.00 C ATOM 23 O LEU A 2 -9.479 -7.204 -3.903 1.00 0.00 O ATOM 24 CB LEU A 2 -8.513 -4.509 -3.628 1.00 0.00 C ATOM 25 CG LEU A 2 -7.339 -4.670 -4.596 1.00 0.00 C ATOM 26 CD1 LEU A 2 -7.495 -3.736 -5.787 1.00 0.00 C ATOM 27 CD2 LEU A 2 -6.026 -4.407 -3.878 1.00 0.00 C ATOM 0 H LEU A 2 -10.618 -4.655 -2.265 1.00 0.00 H new ATOM 0 HA LEU A 2 -10.052 -4.227 -5.082 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -8.535 -3.477 -3.277 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -8.334 -5.139 -2.757 1.00 0.00 H new ATOM 0 HG LEU A 2 -7.333 -5.695 -4.966 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -6.650 -3.865 -6.464 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -8.421 -3.969 -6.313 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -7.526 -2.704 -5.438 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -5.199 -4.525 -4.578 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -6.025 -3.391 -3.482 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -5.911 -5.116 -3.058 1.00 0.00 H new ATOM 39 N VAL A 3 -10.538 -6.552 -5.770 1.00 0.00 N ATOM 40 CA VAL A 3 -10.619 -7.890 -6.323 1.00 0.00 C ATOM 41 C VAL A 3 -9.361 -8.201 -7.126 1.00 0.00 C ATOM 42 O VAL A 3 -9.133 -7.638 -8.200 1.00 0.00 O ATOM 43 CB VAL A 3 -11.863 -8.053 -7.223 1.00 0.00 C ATOM 44 CG1 VAL A 3 -11.984 -9.488 -7.720 1.00 0.00 C ATOM 45 CG2 VAL A 3 -13.123 -7.634 -6.479 1.00 0.00 C ATOM 0 H VAL A 3 -10.985 -5.833 -6.339 1.00 0.00 H new ATOM 0 HA VAL A 3 -10.705 -8.590 -5.492 1.00 0.00 H new ATOM 0 HB VAL A 3 -11.745 -7.401 -8.089 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -12.867 -9.581 -8.352 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -11.096 -9.750 -8.296 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -12.075 -10.162 -6.868 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -13.988 -7.756 -7.131 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -13.246 -8.256 -5.592 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -13.039 -6.589 -6.180 1.00 0.00 H new ATOM 55 N ILE A 4 -8.542 -9.095 -6.595 1.00 0.00 N ATOM 56 CA ILE A 4 -7.293 -9.464 -7.245 1.00 0.00 C ATOM 57 C ILE A 4 -7.517 -10.651 -8.168 1.00 0.00 C ATOM 58 O ILE A 4 -7.011 -10.691 -9.289 1.00 0.00 O ATOM 59 CB ILE A 4 -6.205 -9.818 -6.207 1.00 0.00 C ATOM 60 CG1 ILE A 4 -6.024 -8.661 -5.220 1.00 0.00 C ATOM 61 CG2 ILE A 4 -4.887 -10.140 -6.901 1.00 0.00 C ATOM 62 CD1 ILE A 4 -5.073 -8.973 -4.087 1.00 0.00 C ATOM 0 H ILE A 4 -8.719 -9.579 -5.715 1.00 0.00 H new ATOM 0 HA ILE A 4 -6.952 -8.606 -7.825 1.00 0.00 H new ATOM 0 HB ILE A 4 -6.524 -10.702 -5.655 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -5.658 -7.788 -5.760 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -6.996 -8.394 -4.804 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -4.133 -10.387 -6.154 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -5.026 -10.989 -7.570 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -4.558 -9.275 -7.476 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -4.995 -8.108 -3.429 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -5.448 -9.826 -3.522 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -4.089 -9.210 -4.492 1.00 0.00 H new ATOM 74 N SER A 5 -8.307 -11.596 -7.695 1.00 0.00 N ATOM 75 CA SER A 5 -8.618 -12.791 -8.449 1.00 0.00 C ATOM 76 C SER A 5 -9.969 -13.324 -7.984 1.00 0.00 C ATOM 77 O SER A 5 -10.625 -12.701 -7.150 1.00 0.00 O ATOM 78 CB SER A 5 -7.512 -13.839 -8.264 1.00 0.00 C ATOM 79 OG SER A 5 -7.665 -14.928 -9.164 1.00 0.00 O ATOM 0 H SER A 5 -8.750 -11.555 -6.777 1.00 0.00 H new ATOM 0 HA SER A 5 -8.674 -12.559 -9.513 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.539 -13.373 -8.419 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.529 -14.209 -7.239 1.00 0.00 H new ATOM 0 HG SER A 5 -6.943 -15.575 -9.020 1.00 0.00 H new ATOM 85 N ASN A 6 -10.374 -14.472 -8.504 1.00 0.00 N ATOM 86 CA ASN A 6 -11.700 -15.011 -8.223 1.00 0.00 C ATOM 87 C ASN A 6 -11.832 -15.410 -6.761 1.00 0.00 C ATOM 88 O ASN A 6 -12.842 -15.131 -6.117 1.00 0.00 O ATOM 89 CB ASN A 6 -11.989 -16.222 -9.117 1.00 0.00 C ATOM 90 CG ASN A 6 -11.896 -15.893 -10.593 1.00 0.00 C ATOM 91 OD1 ASN A 6 -10.845 -16.058 -11.211 1.00 0.00 O ATOM 92 ND2 ASN A 6 -12.986 -15.411 -11.163 1.00 0.00 N ATOM 0 H ASN A 6 -9.806 -15.050 -9.123 1.00 0.00 H new ATOM 0 HA ASN A 6 -12.427 -14.227 -8.435 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -11.284 -17.019 -8.881 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -12.986 -16.602 -8.896 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -12.976 -15.160 -12.152 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -13.837 -15.290 -10.614 1.00 0.00 H new ATOM 99 N ASN A 7 -10.801 -16.051 -6.233 1.00 0.00 N ATOM 100 CA ASN A 7 -10.837 -16.549 -4.862 1.00 0.00 C ATOM 101 C ASN A 7 -10.092 -15.606 -3.917 1.00 0.00 C ATOM 102 O ASN A 7 -9.895 -15.908 -2.741 1.00 0.00 O ATOM 103 CB ASN A 7 -10.233 -17.956 -4.817 1.00 0.00 C ATOM 104 CG ASN A 7 -10.617 -18.738 -3.573 1.00 0.00 C ATOM 105 OD1 ASN A 7 -9.921 -18.702 -2.561 1.00 0.00 O ATOM 106 ND2 ASN A 7 -11.726 -19.460 -3.646 1.00 0.00 N ATOM 0 H ASN A 7 -9.930 -16.240 -6.729 1.00 0.00 H new ATOM 0 HA ASN A 7 -11.874 -16.594 -4.528 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -10.555 -18.510 -5.699 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -9.147 -17.879 -4.868 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -12.029 -20.012 -2.844 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -12.277 -19.463 -4.505 1.00 0.00 H new ATOM 113 N VAL A 8 -9.699 -14.444 -4.425 1.00 0.00 N ATOM 114 CA VAL A 8 -8.935 -13.489 -3.632 1.00 0.00 C ATOM 115 C VAL A 8 -9.590 -12.112 -3.677 1.00 0.00 C ATOM 116 O VAL A 8 -9.701 -11.497 -4.740 1.00 0.00 O ATOM 117 CB VAL A 8 -7.476 -13.368 -4.132 1.00 0.00 C ATOM 118 CG1 VAL A 8 -6.679 -12.416 -3.253 1.00 0.00 C ATOM 119 CG2 VAL A 8 -6.806 -14.734 -4.183 1.00 0.00 C ATOM 0 H VAL A 8 -9.896 -14.141 -5.379 1.00 0.00 H new ATOM 0 HA VAL A 8 -8.923 -13.861 -2.608 1.00 0.00 H new ATOM 0 HB VAL A 8 -7.500 -12.961 -5.143 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -5.657 -12.348 -3.625 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -7.140 -11.429 -3.275 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -6.669 -12.789 -2.229 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -5.781 -14.624 -4.537 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -6.800 -15.174 -3.186 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -7.357 -15.384 -4.863 1.00 0.00 H new ATOM 129 N HIS A 9 -10.004 -11.630 -2.518 1.00 0.00 N ATOM 130 CA HIS A 9 -10.641 -10.320 -2.398 1.00 0.00 C ATOM 131 C HIS A 9 -10.061 -9.576 -1.198 1.00 0.00 C ATOM 132 O HIS A 9 -9.814 -10.178 -0.155 1.00 0.00 O ATOM 133 CB HIS A 9 -12.162 -10.461 -2.210 1.00 0.00 C ATOM 134 CG HIS A 9 -12.857 -11.284 -3.256 1.00 0.00 C ATOM 135 ND1 HIS A 9 -13.521 -12.458 -2.961 1.00 0.00 N ATOM 136 CD2 HIS A 9 -13.003 -11.098 -4.590 1.00 0.00 C ATOM 137 CE1 HIS A 9 -14.044 -12.953 -4.069 1.00 0.00 C ATOM 138 NE2 HIS A 9 -13.743 -12.151 -5.068 1.00 0.00 N ATOM 0 H HIS A 9 -9.911 -12.130 -1.634 1.00 0.00 H new ATOM 0 HA HIS A 9 -10.449 -9.764 -3.316 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -12.353 -10.906 -1.233 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -12.605 -9.465 -2.199 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -12.611 -10.275 -5.169 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -14.621 -13.863 -4.142 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -14.016 -12.289 -6.041 1.00 0.00 H new ATOM 147 N LEU A 10 -9.832 -8.278 -1.346 1.00 0.00 N ATOM 148 CA LEU A 10 -9.347 -7.459 -0.242 1.00 0.00 C ATOM 149 C LEU A 10 -10.360 -6.383 0.124 1.00 0.00 C ATOM 150 O LEU A 10 -10.673 -5.511 -0.688 1.00 0.00 O ATOM 151 CB LEU A 10 -8.008 -6.814 -0.593 1.00 0.00 C ATOM 152 CG LEU A 10 -6.812 -7.766 -0.616 1.00 0.00 C ATOM 153 CD1 LEU A 10 -5.543 -7.011 -0.974 1.00 0.00 C ATOM 154 CD2 LEU A 10 -6.658 -8.461 0.732 1.00 0.00 C ATOM 0 H LEU A 10 -9.974 -7.769 -2.219 1.00 0.00 H new ATOM 0 HA LEU A 10 -9.207 -8.113 0.619 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.096 -6.343 -1.572 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -7.806 -6.020 0.126 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.988 -8.527 -1.377 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.700 -7.702 -0.986 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.655 -6.557 -1.959 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -5.362 -6.231 -0.234 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -5.802 -9.135 0.698 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -6.501 -7.714 1.511 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.560 -9.031 0.953 1.00 0.00 H new ATOM 166 N PRO A 11 -10.896 -6.449 1.349 1.00 0.00 N ATOM 167 CA PRO A 11 -11.848 -5.459 1.859 1.00 0.00 C ATOM 168 C PRO A 11 -11.217 -4.078 2.013 1.00 0.00 C ATOM 169 O PRO A 11 -10.041 -3.962 2.360 1.00 0.00 O ATOM 170 CB PRO A 11 -12.254 -6.007 3.233 1.00 0.00 C ATOM 171 CG PRO A 11 -11.824 -7.434 3.231 1.00 0.00 C ATOM 172 CD PRO A 11 -10.621 -7.502 2.339 1.00 0.00 C ATOM 0 HA PRO A 11 -12.688 -5.324 1.177 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -11.770 -5.452 4.036 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -13.329 -5.921 3.389 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -11.582 -7.770 4.239 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -12.620 -8.081 2.862 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -9.698 -7.312 2.887 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -10.518 -8.481 1.871 1.00 0.00 H new ATOM 180 N ASP A 12 -12.009 -3.041 1.758 1.00 0.00 N ATOM 181 CA ASP A 12 -11.555 -1.662 1.869 1.00 0.00 C ATOM 182 C ASP A 12 -11.054 -1.365 3.279 1.00 0.00 C ATOM 183 O ASP A 12 -10.072 -0.652 3.468 1.00 0.00 O ATOM 184 CB ASP A 12 -12.708 -0.714 1.537 1.00 0.00 C ATOM 185 CG ASP A 12 -13.149 -0.789 0.089 1.00 0.00 C ATOM 186 OD1 ASP A 12 -13.882 -1.737 -0.264 1.00 0.00 O ATOM 187 OD2 ASP A 12 -12.777 0.103 -0.704 1.00 0.00 O ATOM 0 H ASP A 12 -12.983 -3.135 1.469 1.00 0.00 H new ATOM 0 HA ASP A 12 -10.734 -1.515 1.167 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -13.557 -0.946 2.180 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -12.406 0.308 1.765 1.00 0.00 H new ATOM 192 N ALA A 13 -11.747 -1.929 4.257 1.00 0.00 N ATOM 193 CA ALA A 13 -11.433 -1.718 5.665 1.00 0.00 C ATOM 194 C ALA A 13 -10.012 -2.148 6.025 1.00 0.00 C ATOM 195 O ALA A 13 -9.417 -1.592 6.952 1.00 0.00 O ATOM 196 CB ALA A 13 -12.438 -2.454 6.540 1.00 0.00 C ATOM 0 H ALA A 13 -12.543 -2.546 4.098 1.00 0.00 H new ATOM 0 HA ALA A 13 -11.497 -0.645 5.848 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -12.195 -2.290 7.590 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -13.441 -2.079 6.337 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -12.399 -3.521 6.321 1.00 0.00 H new ATOM 202 N GLU A 14 -9.457 -3.113 5.298 1.00 0.00 N ATOM 203 CA GLU A 14 -8.133 -3.631 5.627 1.00 0.00 C ATOM 204 C GLU A 14 -7.035 -2.758 5.040 1.00 0.00 C ATOM 205 O GLU A 14 -5.849 -3.004 5.256 1.00 0.00 O ATOM 206 CB GLU A 14 -7.966 -5.075 5.149 1.00 0.00 C ATOM 207 CG GLU A 14 -8.979 -6.039 5.743 1.00 0.00 C ATOM 208 CD GLU A 14 -8.518 -7.482 5.692 1.00 0.00 C ATOM 209 OE1 GLU A 14 -8.418 -8.050 4.586 1.00 0.00 O ATOM 210 OE2 GLU A 14 -8.260 -8.056 6.772 1.00 0.00 O ATOM 0 H GLU A 14 -9.897 -3.548 4.487 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.044 -3.614 6.713 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.049 -5.100 4.062 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -6.962 -5.417 5.400 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -9.174 -5.761 6.779 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -9.922 -5.945 5.205 1.00 0.00 H new ATOM 217 N ILE A 15 -7.437 -1.736 4.308 1.00 0.00 N ATOM 218 CA ILE A 15 -6.494 -0.810 3.701 1.00 0.00 C ATOM 219 C ILE A 15 -6.700 0.592 4.271 1.00 0.00 C ATOM 220 O ILE A 15 -7.760 1.194 4.095 1.00 0.00 O ATOM 221 CB ILE A 15 -6.641 -0.770 2.164 1.00 0.00 C ATOM 222 CG1 ILE A 15 -6.584 -2.191 1.586 1.00 0.00 C ATOM 223 CG2 ILE A 15 -5.549 0.100 1.551 1.00 0.00 C ATOM 224 CD1 ILE A 15 -6.806 -2.251 0.091 1.00 0.00 C ATOM 0 H ILE A 15 -8.416 -1.524 4.117 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.489 -1.161 3.935 1.00 0.00 H new ATOM 0 HB ILE A 15 -7.609 -0.335 1.917 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -5.613 -2.629 1.818 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -7.337 -2.805 2.081 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -5.665 0.119 0.467 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -5.629 1.114 1.943 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.572 -0.311 1.804 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -6.751 -3.287 -0.244 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -7.789 -1.844 -0.148 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -6.038 -1.665 -0.415 1.00 0.00 H new ATOM 236 N GLU A 16 -5.699 1.095 4.974 1.00 0.00 N ATOM 237 CA GLU A 16 -5.783 2.410 5.586 1.00 0.00 C ATOM 238 C GLU A 16 -5.436 3.497 4.586 1.00 0.00 C ATOM 239 O GLU A 16 -4.314 3.558 4.085 1.00 0.00 O ATOM 240 CB GLU A 16 -4.831 2.516 6.774 1.00 0.00 C ATOM 241 CG GLU A 16 -4.930 3.844 7.515 1.00 0.00 C ATOM 242 CD GLU A 16 -3.717 4.135 8.380 1.00 0.00 C ATOM 243 OE1 GLU A 16 -3.547 3.467 9.424 1.00 0.00 O ATOM 244 OE2 GLU A 16 -2.935 5.043 8.024 1.00 0.00 O ATOM 0 H GLU A 16 -4.816 0.611 5.135 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.810 2.544 5.926 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -5.040 1.704 7.470 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.808 2.380 6.423 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -5.054 4.649 6.791 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -5.822 3.838 8.141 1.00 0.00 H new ATOM 251 N LEU A 17 -6.405 4.334 4.283 1.00 0.00 N ATOM 252 CA LEU A 17 -6.143 5.547 3.536 1.00 0.00 C ATOM 253 C LEU A 17 -6.296 6.749 4.454 1.00 0.00 C ATOM 254 O LEU A 17 -7.410 7.102 4.849 1.00 0.00 O ATOM 255 CB LEU A 17 -7.096 5.692 2.341 1.00 0.00 C ATOM 256 CG LEU A 17 -6.835 4.770 1.143 1.00 0.00 C ATOM 257 CD1 LEU A 17 -5.372 4.822 0.731 1.00 0.00 C ATOM 258 CD2 LEU A 17 -7.267 3.342 1.443 1.00 0.00 C ATOM 0 H LEU A 17 -7.382 4.197 4.542 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.125 5.493 3.151 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -8.113 5.516 2.692 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -7.053 6.724 1.993 1.00 0.00 H new ATOM 0 HG LEU A 17 -7.436 5.128 0.307 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.210 4.161 -0.120 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.108 5.842 0.453 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.748 4.500 1.564 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.070 2.712 0.575 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -6.708 2.965 2.300 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -8.333 3.324 1.669 1.00 0.00 H new ATOM 270 N THR A 18 -5.184 7.370 4.795 1.00 0.00 N ATOM 271 CA THR A 18 -5.209 8.545 5.652 1.00 0.00 C ATOM 272 C THR A 18 -4.463 9.712 5.016 1.00 0.00 C ATOM 273 O THR A 18 -3.612 9.516 4.154 1.00 0.00 O ATOM 274 CB THR A 18 -4.602 8.248 7.037 1.00 0.00 C ATOM 275 OG1 THR A 18 -3.407 7.469 6.900 1.00 0.00 O ATOM 276 CG2 THR A 18 -5.597 7.515 7.922 1.00 0.00 C ATOM 0 H THR A 18 -4.252 7.084 4.494 1.00 0.00 H new ATOM 0 HA THR A 18 -6.257 8.818 5.777 1.00 0.00 H new ATOM 0 HB THR A 18 -4.357 9.200 7.508 1.00 0.00 H new ATOM 0 HG1 THR A 18 -3.499 6.636 7.409 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.143 7.318 8.893 1.00 0.00 H new ATOM 0 HG22 THR A 18 -6.487 8.130 8.055 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.875 6.571 7.453 1.00 0.00 H new ATOM 284 N ALA A 19 -4.806 10.921 5.433 1.00 0.00 N ATOM 285 CA ALA A 19 -4.124 12.116 4.960 1.00 0.00 C ATOM 286 C ALA A 19 -3.301 12.731 6.082 1.00 0.00 C ATOM 287 O ALA A 19 -3.770 12.837 7.217 1.00 0.00 O ATOM 288 CB ALA A 19 -5.129 13.126 4.424 1.00 0.00 C ATOM 0 H ALA A 19 -5.556 11.101 6.101 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.453 11.835 4.149 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -4.602 14.014 4.074 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.683 12.684 3.596 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -5.823 13.405 5.217 1.00 0.00 H new ATOM 294 N ILE A 20 -2.077 13.126 5.769 1.00 0.00 N ATOM 295 CA ILE A 20 -1.190 13.713 6.761 1.00 0.00 C ATOM 296 C ILE A 20 -1.048 15.214 6.537 1.00 0.00 C ATOM 297 O ILE A 20 -0.498 15.654 5.525 1.00 0.00 O ATOM 298 CB ILE A 20 0.213 13.071 6.723 1.00 0.00 C ATOM 299 CG1 ILE A 20 0.118 11.554 6.913 1.00 0.00 C ATOM 300 CG2 ILE A 20 1.114 13.686 7.793 1.00 0.00 C ATOM 301 CD1 ILE A 20 1.451 10.842 6.817 1.00 0.00 C ATOM 0 H ILE A 20 -1.675 13.051 4.835 1.00 0.00 H new ATOM 0 HA ILE A 20 -1.638 13.524 7.736 1.00 0.00 H new ATOM 0 HB ILE A 20 0.652 13.269 5.745 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -0.325 11.346 7.887 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -0.557 11.145 6.162 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.099 13.221 7.751 1.00 0.00 H new ATOM 0 HG22 ILE A 20 1.211 14.757 7.615 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.676 13.519 8.777 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.303 9.772 6.962 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.888 11.018 5.834 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.123 11.223 7.586 1.00 0.00 H new ATOM 313 N ARG A 21 -1.562 15.994 7.471 1.00 0.00 N ATOM 314 CA ARG A 21 -1.418 17.440 7.409 1.00 0.00 C ATOM 315 C ARG A 21 -0.085 17.844 8.017 1.00 0.00 C ATOM 316 O ARG A 21 0.207 17.528 9.174 1.00 0.00 O ATOM 317 CB ARG A 21 -2.566 18.123 8.144 1.00 0.00 C ATOM 318 CG ARG A 21 -2.613 19.632 7.966 1.00 0.00 C ATOM 319 CD ARG A 21 -3.753 20.234 8.768 1.00 0.00 C ATOM 320 NE ARG A 21 -4.093 21.583 8.323 1.00 0.00 N ATOM 321 CZ ARG A 21 -4.669 22.504 9.094 1.00 0.00 C ATOM 322 NH1 ARG A 21 -4.945 22.237 10.363 1.00 0.00 N ATOM 323 NH2 ARG A 21 -4.984 23.687 8.589 1.00 0.00 N ATOM 0 H ARG A 21 -2.082 15.653 8.280 1.00 0.00 H new ATOM 0 HA ARG A 21 -1.446 17.756 6.366 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -3.508 17.698 7.797 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -2.487 17.897 9.207 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -1.667 20.070 8.285 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -2.737 19.875 6.911 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -4.631 19.594 8.683 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -3.478 20.260 9.822 1.00 0.00 H new ATOM 0 HE ARG A 21 -3.875 21.836 7.359 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -4.716 21.323 10.753 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -5.386 22.946 10.949 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -4.786 23.893 7.610 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -5.425 24.392 9.179 1.00 0.00 H new ATOM 494 N SER A 34 -1.421 19.508 2.960 1.00 0.00 N ATOM 495 CA SER A 34 -0.361 18.744 2.345 1.00 0.00 C ATOM 496 C SER A 34 -0.922 17.521 1.620 1.00 0.00 C ATOM 497 O SER A 34 -1.800 16.833 2.138 1.00 0.00 O ATOM 498 CB SER A 34 0.612 18.320 3.434 1.00 0.00 C ATOM 499 OG SER A 34 0.851 19.397 4.328 1.00 0.00 O ATOM 0 HA SER A 34 0.152 19.356 1.603 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.208 17.468 3.980 1.00 0.00 H new ATOM 0 HB3 SER A 34 1.551 17.995 2.986 1.00 0.00 H new ATOM 0 HG SER A 34 0.063 19.979 4.358 1.00 0.00 H new ATOM 505 N SER A 35 -0.403 17.246 0.432 1.00 0.00 N ATOM 506 CA SER A 35 -0.901 16.154 -0.390 1.00 0.00 C ATOM 507 C SER A 35 -0.322 14.810 0.048 1.00 0.00 C ATOM 508 O SER A 35 -0.340 13.837 -0.706 1.00 0.00 O ATOM 509 CB SER A 35 -0.566 16.432 -1.859 1.00 0.00 C ATOM 510 OG SER A 35 0.793 16.811 -2.014 1.00 0.00 O ATOM 0 H SER A 35 0.367 17.768 0.014 1.00 0.00 H new ATOM 0 HA SER A 35 -1.982 16.094 -0.267 1.00 0.00 H new ATOM 0 HB2 SER A 35 -0.768 15.542 -2.455 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.212 17.223 -2.238 1.00 0.00 H new ATOM 0 HG SER A 35 1.090 16.599 -2.923 1.00 0.00 H new ATOM 516 N ALA A 36 0.154 14.752 1.285 1.00 0.00 N ATOM 517 CA ALA A 36 0.784 13.557 1.815 1.00 0.00 C ATOM 518 C ALA A 36 -0.258 12.575 2.335 1.00 0.00 C ATOM 519 O ALA A 36 -0.928 12.832 3.335 1.00 0.00 O ATOM 520 CB ALA A 36 1.765 13.924 2.916 1.00 0.00 C ATOM 0 H ALA A 36 0.113 15.530 1.944 1.00 0.00 H new ATOM 0 HA ALA A 36 1.330 13.072 1.006 1.00 0.00 H new ATOM 0 HB1 ALA A 36 2.231 13.019 3.305 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.534 14.583 2.513 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.235 14.434 3.721 1.00 0.00 H new ATOM 526 N MET A 37 -0.403 11.465 1.635 1.00 0.00 N ATOM 527 CA MET A 37 -1.287 10.393 2.061 1.00 0.00 C ATOM 528 C MET A 37 -0.492 9.320 2.791 1.00 0.00 C ATOM 529 O MET A 37 0.690 9.118 2.518 1.00 0.00 O ATOM 530 CB MET A 37 -1.999 9.771 0.858 1.00 0.00 C ATOM 531 CG MET A 37 -2.952 10.718 0.142 1.00 0.00 C ATOM 532 SD MET A 37 -4.442 11.075 1.097 1.00 0.00 S ATOM 533 CE MET A 37 -5.150 9.437 1.245 1.00 0.00 C ATOM 0 H MET A 37 0.086 11.280 0.759 1.00 0.00 H new ATOM 0 HA MET A 37 -2.034 10.813 2.734 1.00 0.00 H new ATOM 0 HB2 MET A 37 -1.250 9.420 0.148 1.00 0.00 H new ATOM 0 HB3 MET A 37 -2.556 8.896 1.192 1.00 0.00 H new ATOM 0 HG2 MET A 37 -2.433 11.652 -0.074 1.00 0.00 H new ATOM 0 HG3 MET A 37 -3.237 10.283 -0.816 1.00 0.00 H new ATOM 0 HE1 MET A 37 -6.211 9.519 1.482 1.00 0.00 H new ATOM 0 HE2 MET A 37 -5.029 8.902 0.303 1.00 0.00 H new ATOM 0 HE3 MET A 37 -4.642 8.892 2.040 1.00 0.00 H new ATOM 543 N HIS A 38 -1.145 8.643 3.713 1.00 0.00 N ATOM 544 CA HIS A 38 -0.528 7.569 4.474 1.00 0.00 C ATOM 545 C HIS A 38 -1.325 6.294 4.280 1.00 0.00 C ATOM 546 O HIS A 38 -2.555 6.311 4.306 1.00 0.00 O ATOM 547 CB HIS A 38 -0.467 7.934 5.956 1.00 0.00 C ATOM 548 CG HIS A 38 0.237 6.929 6.821 1.00 0.00 C ATOM 549 ND1 HIS A 38 -0.418 5.950 7.536 1.00 0.00 N ATOM 550 CD2 HIS A 38 1.552 6.786 7.114 1.00 0.00 C ATOM 551 CE1 HIS A 38 0.460 5.252 8.230 1.00 0.00 C ATOM 552 NE2 HIS A 38 1.667 5.738 7.994 1.00 0.00 N ATOM 0 H HIS A 38 -2.119 8.820 3.958 1.00 0.00 H new ATOM 0 HA HIS A 38 0.491 7.416 4.117 1.00 0.00 H new ATOM 0 HB2 HIS A 38 0.034 8.896 6.059 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -1.484 8.063 6.327 1.00 0.00 H new ATOM 0 HD1 HIS A 38 -1.425 5.790 7.530 1.00 0.00 H new ATOM 0 HD2 HIS A 38 2.362 7.386 6.726 1.00 0.00 H new ATOM 0 HE1 HIS A 38 0.231 4.422 8.882 1.00 0.00 H new ATOM 561 N LEU A 39 -0.627 5.202 4.063 1.00 0.00 N ATOM 562 CA LEU A 39 -1.268 3.925 3.861 1.00 0.00 C ATOM 563 C LEU A 39 -0.757 2.906 4.869 1.00 0.00 C ATOM 564 O LEU A 39 0.424 2.911 5.227 1.00 0.00 O ATOM 565 CB LEU A 39 -1.021 3.406 2.444 1.00 0.00 C ATOM 566 CG LEU A 39 -1.808 4.088 1.320 1.00 0.00 C ATOM 567 CD1 LEU A 39 -1.211 5.444 0.971 1.00 0.00 C ATOM 568 CD2 LEU A 39 -1.856 3.194 0.090 1.00 0.00 C ATOM 0 H LEU A 39 0.392 5.175 4.022 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.340 4.066 4.002 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.042 3.505 2.225 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.253 2.341 2.425 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.826 4.253 1.674 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.792 5.902 0.170 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.233 6.088 1.850 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.180 5.314 0.642 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.418 3.692 -0.700 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.841 2.996 -0.256 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.343 2.252 0.343 1.00 0.00 H new ATOM 580 N ARG A 40 -1.649 2.042 5.317 1.00 0.00 N ATOM 581 CA ARG A 40 -1.305 0.976 6.247 1.00 0.00 C ATOM 582 C ARG A 40 -1.961 -0.322 5.802 1.00 0.00 C ATOM 583 O ARG A 40 -3.167 -0.360 5.547 1.00 0.00 O ATOM 584 CB ARG A 40 -1.750 1.345 7.668 1.00 0.00 C ATOM 585 CG ARG A 40 -1.707 0.199 8.661 1.00 0.00 C ATOM 586 CD ARG A 40 -0.288 -0.150 9.061 1.00 0.00 C ATOM 587 NE ARG A 40 -0.263 -1.230 10.039 1.00 0.00 N ATOM 588 CZ ARG A 40 0.458 -1.203 11.155 1.00 0.00 C ATOM 589 NH1 ARG A 40 1.191 -0.136 11.450 1.00 0.00 N ATOM 590 NH2 ARG A 40 0.443 -2.249 11.970 1.00 0.00 N ATOM 0 H ARG A 40 -2.633 2.057 5.048 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.223 0.841 6.253 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.115 2.151 8.036 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.767 1.734 7.626 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.279 0.467 9.549 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.187 -0.677 8.225 1.00 0.00 H new ATOM 0 HD2 ARG A 40 0.279 -0.444 8.178 1.00 0.00 H new ATOM 0 HD3 ARG A 40 0.202 0.731 9.476 1.00 0.00 H new ATOM 0 HE ARG A 40 -0.833 -2.056 9.856 1.00 0.00 H new ATOM 0 HH11 ARG A 40 1.202 0.666 10.819 1.00 0.00 H new ATOM 0 HH12 ARG A 40 1.743 -0.118 12.307 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -0.120 -3.068 11.739 1.00 0.00 H new ATOM 0 HH22 ARG A 40 0.994 -2.235 12.828 1.00 0.00 H new ATOM 604 N PHE A 41 -1.161 -1.369 5.686 1.00 0.00 N ATOM 605 CA PHE A 41 -1.663 -2.671 5.291 1.00 0.00 C ATOM 606 C PHE A 41 -0.906 -3.775 6.023 1.00 0.00 C ATOM 607 O PHE A 41 0.238 -4.089 5.688 1.00 0.00 O ATOM 608 CB PHE A 41 -1.528 -2.848 3.773 1.00 0.00 C ATOM 609 CG PHE A 41 -2.143 -4.112 3.248 1.00 0.00 C ATOM 610 CD1 PHE A 41 -3.507 -4.189 3.018 1.00 0.00 C ATOM 611 CD2 PHE A 41 -1.361 -5.221 2.977 1.00 0.00 C ATOM 612 CE1 PHE A 41 -4.079 -5.348 2.532 1.00 0.00 C ATOM 613 CE2 PHE A 41 -1.926 -6.384 2.490 1.00 0.00 C ATOM 614 CZ PHE A 41 -3.288 -6.448 2.267 1.00 0.00 C ATOM 0 H PHE A 41 -0.157 -1.340 5.861 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.717 -2.738 5.560 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.992 -1.996 3.276 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -0.471 -2.834 3.509 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -4.131 -3.331 3.221 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -0.296 -5.177 3.148 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -5.144 -5.394 2.359 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -1.304 -7.242 2.284 1.00 0.00 H new ATOM 0 HZ PHE A 41 -3.733 -7.356 1.887 1.00 0.00 H new ATOM 624 N ASP A 42 -1.532 -4.330 7.051 1.00 0.00 N ATOM 625 CA ASP A 42 -0.947 -5.446 7.787 1.00 0.00 C ATOM 626 C ASP A 42 -1.078 -6.731 6.981 1.00 0.00 C ATOM 627 O ASP A 42 -2.159 -7.316 6.899 1.00 0.00 O ATOM 628 CB ASP A 42 -1.617 -5.628 9.158 1.00 0.00 C ATOM 629 CG ASP A 42 -1.249 -4.544 10.153 1.00 0.00 C ATOM 630 OD1 ASP A 42 -1.821 -3.437 10.074 1.00 0.00 O ATOM 631 OD2 ASP A 42 -0.393 -4.791 11.029 1.00 0.00 O ATOM 0 H ASP A 42 -2.443 -4.028 7.395 1.00 0.00 H new ATOM 0 HA ASP A 42 0.107 -5.220 7.949 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -2.699 -5.640 9.027 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -1.335 -6.598 9.567 1.00 0.00 H new ATOM 636 N ILE A 43 0.020 -7.157 6.371 1.00 0.00 N ATOM 637 CA ILE A 43 0.033 -8.378 5.572 1.00 0.00 C ATOM 638 C ILE A 43 -0.374 -9.567 6.426 1.00 0.00 C ATOM 639 O ILE A 43 -1.194 -10.386 6.024 1.00 0.00 O ATOM 640 CB ILE A 43 1.430 -8.654 4.974 1.00 0.00 C ATOM 641 CG1 ILE A 43 1.911 -7.463 4.143 1.00 0.00 C ATOM 642 CG2 ILE A 43 1.406 -9.923 4.129 1.00 0.00 C ATOM 643 CD1 ILE A 43 3.316 -7.637 3.598 1.00 0.00 C ATOM 0 H ILE A 43 0.917 -6.674 6.414 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.676 -8.237 4.756 1.00 0.00 H new ATOM 0 HB ILE A 43 2.131 -8.799 5.796 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.223 -7.308 3.312 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.876 -6.563 4.757 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.398 -10.103 3.715 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.113 -10.769 4.751 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.689 -9.805 3.316 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.593 -6.756 3.019 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.014 -7.762 4.426 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.351 -8.518 2.957 1.00 0.00 H new ATOM 655 N ASN A 44 0.193 -9.634 7.620 1.00 0.00 N ATOM 656 CA ASN A 44 -0.056 -10.732 8.539 1.00 0.00 C ATOM 657 C ASN A 44 -1.549 -10.862 8.860 1.00 0.00 C ATOM 658 O ASN A 44 -2.113 -11.956 8.811 1.00 0.00 O ATOM 659 CB ASN A 44 0.734 -10.497 9.828 1.00 0.00 C ATOM 660 CG ASN A 44 1.071 -11.777 10.568 1.00 0.00 C ATOM 661 OD1 ASN A 44 0.333 -12.763 10.528 1.00 0.00 O ATOM 662 ND2 ASN A 44 2.203 -11.770 11.254 1.00 0.00 N ATOM 0 H ASN A 44 0.838 -8.930 7.979 1.00 0.00 H new ATOM 0 HA ASN A 44 0.266 -11.660 8.067 1.00 0.00 H new ATOM 0 HB2 ASN A 44 1.658 -9.970 9.589 1.00 0.00 H new ATOM 0 HB3 ASN A 44 0.157 -9.847 10.486 1.00 0.00 H new ATOM 0 HD21 ASN A 44 2.490 -12.600 11.773 1.00 0.00 H new ATOM 0 HD22 ASN A 44 2.788 -10.935 11.264 1.00 0.00 H new ATOM 669 N ALA A 45 -2.192 -9.733 9.135 1.00 0.00 N ATOM 670 CA ALA A 45 -3.560 -9.738 9.643 1.00 0.00 C ATOM 671 C ALA A 45 -4.607 -9.464 8.559 1.00 0.00 C ATOM 672 O ALA A 45 -5.774 -9.235 8.873 1.00 0.00 O ATOM 673 CB ALA A 45 -3.696 -8.720 10.764 1.00 0.00 C ATOM 0 H ALA A 45 -1.789 -8.804 9.015 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.754 -10.743 10.019 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -4.719 -8.727 11.140 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.010 -8.975 11.572 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -3.456 -7.727 10.385 1.00 0.00 H new ATOM 679 N SER A 46 -4.209 -9.489 7.297 1.00 0.00 N ATOM 680 CA SER A 46 -5.154 -9.249 6.209 1.00 0.00 C ATOM 681 C SER A 46 -5.767 -10.561 5.715 1.00 0.00 C ATOM 682 O SER A 46 -5.386 -11.647 6.169 1.00 0.00 O ATOM 683 CB SER A 46 -4.463 -8.520 5.060 1.00 0.00 C ATOM 684 OG SER A 46 -3.287 -9.201 4.663 1.00 0.00 O ATOM 0 H SER A 46 -3.251 -9.670 6.999 1.00 0.00 H new ATOM 0 HA SER A 46 -5.960 -8.622 6.591 1.00 0.00 H new ATOM 0 HB2 SER A 46 -5.145 -8.439 4.213 1.00 0.00 H new ATOM 0 HB3 SER A 46 -4.214 -7.504 5.366 1.00 0.00 H new ATOM 0 HG SER A 46 -2.877 -8.732 3.907 1.00 0.00 H new ATOM 690 N SER A 47 -6.705 -10.455 4.780 1.00 0.00 N ATOM 691 CA SER A 47 -7.417 -11.618 4.257 1.00 0.00 C ATOM 692 C SER A 47 -6.658 -12.285 3.106 1.00 0.00 C ATOM 693 O SER A 47 -7.226 -13.083 2.357 1.00 0.00 O ATOM 694 CB SER A 47 -8.809 -11.191 3.787 1.00 0.00 C ATOM 695 OG SER A 47 -9.473 -10.455 4.799 1.00 0.00 O ATOM 0 H SER A 47 -6.992 -9.569 4.365 1.00 0.00 H new ATOM 0 HA SER A 47 -7.501 -12.351 5.059 1.00 0.00 H new ATOM 0 HB2 SER A 47 -8.724 -10.585 2.885 1.00 0.00 H new ATOM 0 HB3 SER A 47 -9.396 -12.071 3.525 1.00 0.00 H new ATOM 0 HG SER A 47 -9.425 -9.498 4.593 1.00 0.00 H new ATOM 701 N LEU A 48 -5.378 -11.966 2.967 1.00 0.00 N ATOM 702 CA LEU A 48 -4.549 -12.574 1.935 1.00 0.00 C ATOM 703 C LEU A 48 -4.310 -14.056 2.225 1.00 0.00 C ATOM 704 O LEU A 48 -4.188 -14.459 3.383 1.00 0.00 O ATOM 705 CB LEU A 48 -3.208 -11.846 1.826 1.00 0.00 C ATOM 706 CG LEU A 48 -3.270 -10.452 1.198 1.00 0.00 C ATOM 707 CD1 LEU A 48 -1.890 -9.813 1.197 1.00 0.00 C ATOM 708 CD2 LEU A 48 -3.819 -10.530 -0.221 1.00 0.00 C ATOM 0 H LEU A 48 -4.891 -11.290 3.556 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.081 -12.487 0.987 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -2.779 -11.758 2.824 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.526 -12.461 1.239 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.941 -9.833 1.794 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.948 -8.822 0.747 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.529 -9.726 2.222 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.203 -10.433 0.621 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.856 -9.530 -0.652 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.171 -11.163 -0.828 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.823 -10.953 -0.200 1.00 0.00 H new ATOM 720 N PRO A 49 -4.268 -14.891 1.173 1.00 0.00 N ATOM 721 CA PRO A 49 -3.951 -16.318 1.303 1.00 0.00 C ATOM 722 C PRO A 49 -2.527 -16.545 1.814 1.00 0.00 C ATOM 723 O PRO A 49 -1.621 -15.757 1.527 1.00 0.00 O ATOM 724 CB PRO A 49 -4.109 -16.859 -0.123 1.00 0.00 C ATOM 725 CG PRO A 49 -4.926 -15.835 -0.835 1.00 0.00 C ATOM 726 CD PRO A 49 -4.554 -14.520 -0.217 1.00 0.00 C ATOM 0 HA PRO A 49 -4.597 -16.816 2.026 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -3.140 -16.995 -0.603 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -4.604 -17.830 -0.124 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.714 -15.839 -1.904 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -5.991 -16.035 -0.720 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.687 -14.074 -0.704 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -5.366 -13.796 -0.285 1.00 0.00 H new ATOM 734 N PRO A 50 -2.319 -17.635 2.578 1.00 0.00 N ATOM 735 CA PRO A 50 -1.031 -17.953 3.215 1.00 0.00 C ATOM 736 C PRO A 50 0.157 -17.948 2.254 1.00 0.00 C ATOM 737 O PRO A 50 1.237 -17.479 2.609 1.00 0.00 O ATOM 738 CB PRO A 50 -1.250 -19.359 3.776 1.00 0.00 C ATOM 739 CG PRO A 50 -2.715 -19.446 4.002 1.00 0.00 C ATOM 740 CD PRO A 50 -3.346 -18.643 2.900 1.00 0.00 C ATOM 0 HA PRO A 50 -0.772 -17.202 3.961 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -0.910 -20.123 3.076 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -0.696 -19.507 4.703 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -3.054 -20.482 3.975 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -2.984 -19.048 4.980 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -3.584 -19.264 2.036 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -4.277 -18.178 3.224 1.00 0.00 H new ATOM 748 N PHE A 51 -0.041 -18.464 1.042 1.00 0.00 N ATOM 749 CA PHE A 51 1.038 -18.532 0.058 1.00 0.00 C ATOM 750 C PHE A 51 1.592 -17.141 -0.239 1.00 0.00 C ATOM 751 O PHE A 51 2.806 -16.937 -0.280 1.00 0.00 O ATOM 752 CB PHE A 51 0.548 -19.180 -1.236 1.00 0.00 C ATOM 753 CG PHE A 51 1.638 -19.367 -2.252 1.00 0.00 C ATOM 754 CD1 PHE A 51 2.645 -20.293 -2.039 1.00 0.00 C ATOM 755 CD2 PHE A 51 1.659 -18.615 -3.413 1.00 0.00 C ATOM 756 CE1 PHE A 51 3.654 -20.465 -2.965 1.00 0.00 C ATOM 757 CE2 PHE A 51 2.665 -18.782 -4.345 1.00 0.00 C ATOM 758 CZ PHE A 51 3.663 -19.708 -4.119 1.00 0.00 C ATOM 0 H PHE A 51 -0.933 -18.839 0.719 1.00 0.00 H new ATOM 0 HA PHE A 51 1.835 -19.144 0.480 1.00 0.00 H new ATOM 0 HB2 PHE A 51 0.105 -20.149 -1.005 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -0.241 -18.564 -1.668 1.00 0.00 H new ATOM 0 HD1 PHE A 51 2.641 -20.888 -1.138 1.00 0.00 H new ATOM 0 HD2 PHE A 51 0.880 -17.889 -3.593 1.00 0.00 H new ATOM 0 HE1 PHE A 51 4.434 -21.190 -2.787 1.00 0.00 H new ATOM 0 HE2 PHE A 51 2.670 -18.190 -5.248 1.00 0.00 H new ATOM 0 HZ PHE A 51 4.451 -19.840 -4.845 1.00 0.00 H new ATOM 768 N TYR A 52 0.688 -16.189 -0.440 1.00 0.00 N ATOM 769 CA TYR A 52 1.067 -14.812 -0.705 1.00 0.00 C ATOM 770 C TYR A 52 1.846 -14.238 0.472 1.00 0.00 C ATOM 771 O TYR A 52 2.884 -13.603 0.295 1.00 0.00 O ATOM 772 CB TYR A 52 -0.180 -13.966 -0.961 1.00 0.00 C ATOM 773 CG TYR A 52 -0.921 -14.308 -2.236 1.00 0.00 C ATOM 774 CD1 TYR A 52 -1.695 -15.458 -2.330 1.00 0.00 C ATOM 775 CD2 TYR A 52 -0.862 -13.468 -3.342 1.00 0.00 C ATOM 776 CE1 TYR A 52 -2.386 -15.763 -3.486 1.00 0.00 C ATOM 777 CE2 TYR A 52 -1.548 -13.767 -4.504 1.00 0.00 C ATOM 778 CZ TYR A 52 -2.310 -14.914 -4.572 1.00 0.00 C ATOM 779 OH TYR A 52 -3.001 -15.215 -5.724 1.00 0.00 O ATOM 0 H TYR A 52 -0.319 -16.351 -0.424 1.00 0.00 H new ATOM 0 HA TYR A 52 1.703 -14.792 -1.590 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -0.861 -14.082 -0.118 1.00 0.00 H new ATOM 0 HB3 TYR A 52 0.110 -12.916 -0.995 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -1.757 -16.126 -1.483 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -0.270 -12.566 -3.292 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -2.983 -16.661 -3.540 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.487 -13.105 -5.355 1.00 0.00 H new ATOM 0 HH TYR A 52 -2.843 -14.516 -6.393 1.00 0.00 H new ATOM 789 N LYS A 53 1.341 -14.489 1.675 1.00 0.00 N ATOM 790 CA LYS A 53 1.970 -13.994 2.891 1.00 0.00 C ATOM 791 C LYS A 53 3.352 -14.611 3.087 1.00 0.00 C ATOM 792 O LYS A 53 4.271 -13.942 3.548 1.00 0.00 O ATOM 793 CB LYS A 53 1.089 -14.286 4.111 1.00 0.00 C ATOM 794 CG LYS A 53 -0.247 -13.568 4.076 1.00 0.00 C ATOM 795 CD LYS A 53 -1.045 -13.812 5.347 1.00 0.00 C ATOM 796 CE LYS A 53 -2.364 -13.053 5.324 1.00 0.00 C ATOM 797 NZ LYS A 53 -3.150 -13.241 6.572 1.00 0.00 N ATOM 0 H LYS A 53 0.494 -15.035 1.833 1.00 0.00 H new ATOM 0 HA LYS A 53 2.087 -12.915 2.788 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.914 -15.360 4.175 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.625 -13.996 5.015 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.083 -12.498 3.948 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -0.821 -13.908 3.214 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.238 -14.879 5.459 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -0.459 -13.502 6.212 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.166 -11.991 5.179 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -2.956 -13.386 4.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -4.125 -12.911 6.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -3.162 -14.249 6.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -2.714 -12.695 7.342 1.00 0.00 H new ATOM 811 N GLU A 54 3.494 -15.883 2.729 1.00 0.00 N ATOM 812 CA GLU A 54 4.756 -16.601 2.890 1.00 0.00 C ATOM 813 C GLU A 54 5.880 -15.918 2.129 1.00 0.00 C ATOM 814 O GLU A 54 6.917 -15.578 2.702 1.00 0.00 O ATOM 815 CB GLU A 54 4.618 -18.035 2.388 1.00 0.00 C ATOM 816 CG GLU A 54 5.865 -18.877 2.606 1.00 0.00 C ATOM 817 CD GLU A 54 5.686 -20.313 2.169 1.00 0.00 C ATOM 818 OE1 GLU A 54 5.841 -20.601 0.963 1.00 0.00 O ATOM 819 OE2 GLU A 54 5.406 -21.168 3.036 1.00 0.00 O ATOM 0 H GLU A 54 2.745 -16.443 2.322 1.00 0.00 H new ATOM 0 HA GLU A 54 4.999 -16.602 3.953 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.776 -18.509 2.893 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.382 -18.018 1.324 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.696 -18.436 2.056 1.00 0.00 H new ATOM 0 HG3 GLU A 54 6.133 -18.854 3.662 1.00 0.00 H new ATOM 826 N ARG A 55 5.663 -15.739 0.838 1.00 0.00 N ATOM 827 CA ARG A 55 6.656 -15.124 -0.032 1.00 0.00 C ATOM 828 C ARG A 55 7.018 -13.723 0.454 1.00 0.00 C ATOM 829 O ARG A 55 8.166 -13.306 0.356 1.00 0.00 O ATOM 830 CB ARG A 55 6.147 -15.071 -1.475 1.00 0.00 C ATOM 831 CG ARG A 55 5.788 -16.441 -2.030 1.00 0.00 C ATOM 832 CD ARG A 55 5.336 -16.372 -3.480 1.00 0.00 C ATOM 833 NE ARG A 55 6.429 -16.035 -4.390 1.00 0.00 N ATOM 834 CZ ARG A 55 6.702 -16.713 -5.506 1.00 0.00 C ATOM 835 NH1 ARG A 55 5.984 -17.783 -5.837 1.00 0.00 N ATOM 836 NH2 ARG A 55 7.693 -16.319 -6.288 1.00 0.00 N ATOM 0 H ARG A 55 4.802 -16.012 0.364 1.00 0.00 H new ATOM 0 HA ARG A 55 7.556 -15.738 -0.001 1.00 0.00 H new ATOM 0 HB2 ARG A 55 5.270 -14.425 -1.521 1.00 0.00 H new ATOM 0 HB3 ARG A 55 6.911 -14.618 -2.107 1.00 0.00 H new ATOM 0 HG2 ARG A 55 6.652 -17.101 -1.951 1.00 0.00 H new ATOM 0 HG3 ARG A 55 4.995 -16.880 -1.424 1.00 0.00 H new ATOM 0 HD2 ARG A 55 4.908 -17.332 -3.770 1.00 0.00 H new ATOM 0 HD3 ARG A 55 4.545 -15.628 -3.576 1.00 0.00 H new ATOM 0 HE ARG A 55 7.017 -15.235 -4.158 1.00 0.00 H new ATOM 0 HH11 ARG A 55 5.219 -18.090 -5.236 1.00 0.00 H new ATOM 0 HH12 ARG A 55 6.198 -18.297 -6.692 1.00 0.00 H new ATOM 0 HH21 ARG A 55 8.246 -15.499 -6.037 1.00 0.00 H new ATOM 0 HH22 ARG A 55 7.905 -16.835 -7.142 1.00 0.00 H new ATOM 850 N LEU A 56 6.033 -13.021 1.004 1.00 0.00 N ATOM 851 CA LEU A 56 6.242 -11.680 1.545 1.00 0.00 C ATOM 852 C LEU A 56 7.017 -11.724 2.859 1.00 0.00 C ATOM 853 O LEU A 56 7.969 -10.967 3.056 1.00 0.00 O ATOM 854 CB LEU A 56 4.896 -10.986 1.763 1.00 0.00 C ATOM 855 CG LEU A 56 4.176 -10.555 0.481 1.00 0.00 C ATOM 856 CD1 LEU A 56 2.753 -10.118 0.782 1.00 0.00 C ATOM 857 CD2 LEU A 56 4.941 -9.428 -0.194 1.00 0.00 C ATOM 0 H LEU A 56 5.075 -13.360 1.088 1.00 0.00 H new ATOM 0 HA LEU A 56 6.831 -11.116 0.821 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.243 -11.658 2.320 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.054 -10.106 2.387 1.00 0.00 H new ATOM 0 HG LEU A 56 4.135 -11.410 -0.194 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.262 -9.816 -0.143 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.205 -10.947 1.231 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.770 -9.277 1.475 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.421 -9.129 -1.104 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.006 -8.576 0.483 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.945 -9.769 -0.446 1.00 0.00 H new ATOM 869 N LEU A 57 6.612 -12.621 3.752 1.00 0.00 N ATOM 870 CA LEU A 57 7.229 -12.761 5.058 1.00 0.00 C ATOM 871 C LEU A 57 8.686 -13.202 4.952 1.00 0.00 C ATOM 872 O LEU A 57 9.472 -12.999 5.876 1.00 0.00 O ATOM 873 CB LEU A 57 6.429 -13.767 5.875 1.00 0.00 C ATOM 874 CG LEU A 57 5.120 -13.236 6.466 1.00 0.00 C ATOM 875 CD1 LEU A 57 4.387 -14.335 7.217 1.00 0.00 C ATOM 876 CD2 LEU A 57 5.386 -12.051 7.380 1.00 0.00 C ATOM 0 H LEU A 57 5.844 -13.271 3.586 1.00 0.00 H new ATOM 0 HA LEU A 57 7.224 -11.789 5.551 1.00 0.00 H new ATOM 0 HB2 LEU A 57 6.201 -14.625 5.242 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.056 -14.129 6.690 1.00 0.00 H new ATOM 0 HG LEU A 57 4.487 -12.900 5.645 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.460 -13.938 7.629 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.159 -15.153 6.534 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.016 -14.704 8.027 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.443 -11.689 7.790 1.00 0.00 H new ATOM 0 HD22 LEU A 57 6.041 -12.360 8.195 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.865 -11.254 6.812 1.00 0.00 H new ATOM 888 N ALA A 58 9.036 -13.806 3.829 1.00 0.00 N ATOM 889 CA ALA A 58 10.398 -14.258 3.600 1.00 0.00 C ATOM 890 C ALA A 58 11.004 -13.568 2.379 1.00 0.00 C ATOM 891 O ALA A 58 11.845 -14.142 1.683 1.00 0.00 O ATOM 892 CB ALA A 58 10.418 -15.769 3.424 1.00 0.00 C ATOM 0 H ALA A 58 8.394 -13.995 3.059 1.00 0.00 H new ATOM 0 HA ALA A 58 11.002 -13.994 4.468 1.00 0.00 H new ATOM 0 HB1 ALA A 58 11.442 -16.102 3.253 1.00 0.00 H new ATOM 0 HB2 ALA A 58 10.027 -16.245 4.323 1.00 0.00 H new ATOM 0 HB3 ALA A 58 9.799 -16.044 2.570 1.00 0.00 H new ATOM 898 N LEU A 59 10.569 -12.340 2.124 1.00 0.00 N ATOM 899 CA LEU A 59 11.085 -11.558 1.007 1.00 0.00 C ATOM 900 C LEU A 59 12.284 -10.736 1.463 1.00 0.00 C ATOM 901 O LEU A 59 12.420 -10.413 2.642 1.00 0.00 O ATOM 902 CB LEU A 59 9.995 -10.630 0.461 1.00 0.00 C ATOM 903 CG LEU A 59 9.742 -10.698 -1.053 1.00 0.00 C ATOM 904 CD1 LEU A 59 8.496 -9.908 -1.414 1.00 0.00 C ATOM 905 CD2 LEU A 59 10.937 -10.177 -1.836 1.00 0.00 C ATOM 0 H LEU A 59 9.858 -11.863 2.678 1.00 0.00 H new ATOM 0 HA LEU A 59 11.396 -12.239 0.214 1.00 0.00 H new ATOM 0 HB2 LEU A 59 9.061 -10.859 0.975 1.00 0.00 H new ATOM 0 HB3 LEU A 59 10.258 -9.604 0.719 1.00 0.00 H new ATOM 0 HG LEU A 59 9.592 -11.744 -1.321 1.00 0.00 H new ATOM 0 HD11 LEU A 59 8.328 -9.964 -2.490 1.00 0.00 H new ATOM 0 HD12 LEU A 59 7.636 -10.325 -0.890 1.00 0.00 H new ATOM 0 HD13 LEU A 59 8.628 -8.866 -1.122 1.00 0.00 H new ATOM 0 HD21 LEU A 59 10.727 -10.238 -2.904 1.00 0.00 H new ATOM 0 HD22 LEU A 59 11.127 -9.139 -1.562 1.00 0.00 H new ATOM 0 HD23 LEU A 59 11.815 -10.780 -1.604 1.00 0.00 H new ATOM 917 N ASN A 60 13.135 -10.393 0.513 1.00 0.00 N ATOM 918 CA ASN A 60 14.348 -9.620 0.787 1.00 0.00 C ATOM 919 C ASN A 60 14.050 -8.125 0.801 1.00 0.00 C ATOM 920 O ASN A 60 14.960 -7.289 0.787 1.00 0.00 O ATOM 921 CB ASN A 60 15.392 -9.919 -0.284 1.00 0.00 C ATOM 922 CG ASN A 60 16.789 -9.454 0.098 1.00 0.00 C ATOM 923 OD1 ASN A 60 17.190 -9.534 1.261 1.00 0.00 O ATOM 924 ND2 ASN A 60 17.527 -8.933 -0.868 1.00 0.00 N ATOM 0 H ASN A 60 13.012 -10.638 -0.469 1.00 0.00 H new ATOM 0 HA ASN A 60 14.726 -9.906 1.768 1.00 0.00 H new ATOM 0 HB2 ASN A 60 15.412 -10.992 -0.474 1.00 0.00 H new ATOM 0 HB3 ASN A 60 15.097 -9.436 -1.216 1.00 0.00 H new ATOM 0 HD21 ASN A 60 18.462 -8.581 -0.662 1.00 0.00 H new ATOM 0 HD22 ASN A 60 17.161 -8.884 -1.819 1.00 0.00 H new ATOM 931 N ASP A 61 12.780 -7.790 0.850 1.00 0.00 N ATOM 932 CA ASP A 61 12.357 -6.410 0.773 1.00 0.00 C ATOM 933 C ASP A 61 12.402 -5.762 2.148 1.00 0.00 C ATOM 934 O ASP A 61 12.074 -6.386 3.154 1.00 0.00 O ATOM 935 CB ASP A 61 10.953 -6.310 0.178 1.00 0.00 C ATOM 936 CG ASP A 61 10.466 -4.882 0.133 1.00 0.00 C ATOM 937 OD1 ASP A 61 10.965 -4.105 -0.712 1.00 0.00 O ATOM 938 OD2 ASP A 61 9.618 -4.523 0.966 1.00 0.00 O ATOM 0 H ASP A 61 12.017 -8.460 0.944 1.00 0.00 H new ATOM 0 HA ASP A 61 13.045 -5.876 0.118 1.00 0.00 H new ATOM 0 HB2 ASP A 61 10.954 -6.726 -0.830 1.00 0.00 H new ATOM 0 HB3 ASP A 61 10.263 -6.911 0.770 1.00 0.00 H new ATOM 943 N SER A 62 12.833 -4.514 2.177 1.00 0.00 N ATOM 944 CA SER A 62 12.988 -3.784 3.428 1.00 0.00 C ATOM 945 C SER A 62 11.818 -2.839 3.700 1.00 0.00 C ATOM 946 O SER A 62 11.794 -2.158 4.726 1.00 0.00 O ATOM 947 CB SER A 62 14.301 -3.005 3.410 1.00 0.00 C ATOM 948 OG SER A 62 15.402 -3.878 3.219 1.00 0.00 O ATOM 0 H SER A 62 13.084 -3.980 1.345 1.00 0.00 H new ATOM 0 HA SER A 62 13.002 -4.516 4.236 1.00 0.00 H new ATOM 0 HB2 SER A 62 14.277 -2.262 2.613 1.00 0.00 H new ATOM 0 HB3 SER A 62 14.420 -2.462 4.348 1.00 0.00 H new ATOM 0 HG SER A 62 16.233 -3.359 3.209 1.00 0.00 H new ATOM 954 N ARG A 63 10.852 -2.785 2.790 1.00 0.00 N ATOM 955 CA ARG A 63 9.635 -2.021 3.045 1.00 0.00 C ATOM 956 C ARG A 63 8.743 -2.876 3.931 1.00 0.00 C ATOM 957 O ARG A 63 8.044 -2.378 4.817 1.00 0.00 O ATOM 958 CB ARG A 63 8.886 -1.670 1.751 1.00 0.00 C ATOM 959 CG ARG A 63 9.777 -1.378 0.553 1.00 0.00 C ATOM 960 CD ARG A 63 10.673 -0.164 0.758 1.00 0.00 C ATOM 961 NE ARG A 63 11.522 0.062 -0.408 1.00 0.00 N ATOM 962 CZ ARG A 63 12.191 1.185 -0.655 1.00 0.00 C ATOM 963 NH1 ARG A 63 12.139 2.207 0.198 1.00 0.00 N ATOM 964 NH2 ARG A 63 12.933 1.279 -1.750 1.00 0.00 N ATOM 0 H ARG A 63 10.885 -3.252 1.884 1.00 0.00 H new ATOM 0 HA ARG A 63 9.900 -1.078 3.523 1.00 0.00 H new ATOM 0 HB2 ARG A 63 8.221 -2.496 1.498 1.00 0.00 H new ATOM 0 HB3 ARG A 63 8.257 -0.800 1.938 1.00 0.00 H new ATOM 0 HG2 ARG A 63 10.398 -2.250 0.348 1.00 0.00 H new ATOM 0 HG3 ARG A 63 9.153 -1.217 -0.326 1.00 0.00 H new ATOM 0 HD2 ARG A 63 10.060 0.718 0.942 1.00 0.00 H new ATOM 0 HD3 ARG A 63 11.294 -0.311 1.642 1.00 0.00 H new ATOM 0 HE ARG A 63 11.609 -0.697 -1.083 1.00 0.00 H new ATOM 0 HH11 ARG A 63 11.583 2.133 1.050 1.00 0.00 H new ATOM 0 HH12 ARG A 63 12.656 3.064 -0.001 1.00 0.00 H new ATOM 0 HH21 ARG A 63 12.988 0.493 -2.397 1.00 0.00 H new ATOM 0 HH22 ARG A 63 13.448 2.137 -1.945 1.00 0.00 H new ATOM 978 N ILE A 64 8.784 -4.174 3.658 1.00 0.00 N ATOM 979 CA ILE A 64 8.137 -5.173 4.484 1.00 0.00 C ATOM 980 C ILE A 64 8.769 -5.201 5.873 1.00 0.00 C ATOM 981 O ILE A 64 9.939 -5.553 6.028 1.00 0.00 O ATOM 982 CB ILE A 64 8.239 -6.576 3.837 1.00 0.00 C ATOM 983 CG1 ILE A 64 7.541 -6.575 2.475 1.00 0.00 C ATOM 984 CG2 ILE A 64 7.632 -7.637 4.751 1.00 0.00 C ATOM 985 CD1 ILE A 64 7.668 -7.880 1.719 1.00 0.00 C ATOM 0 H ILE A 64 9.272 -4.561 2.850 1.00 0.00 H new ATOM 0 HA ILE A 64 7.084 -4.906 4.573 1.00 0.00 H new ATOM 0 HB ILE A 64 9.292 -6.818 3.692 1.00 0.00 H new ATOM 0 HG12 ILE A 64 6.484 -6.352 2.620 1.00 0.00 H new ATOM 0 HG13 ILE A 64 7.956 -5.772 1.866 1.00 0.00 H new ATOM 0 HG21 ILE A 64 7.714 -8.615 4.277 1.00 0.00 H new ATOM 0 HG22 ILE A 64 8.166 -7.648 5.701 1.00 0.00 H new ATOM 0 HG23 ILE A 64 6.581 -7.407 4.928 1.00 0.00 H new ATOM 0 HD11 ILE A 64 7.148 -7.800 0.765 1.00 0.00 H new ATOM 0 HD12 ILE A 64 8.721 -8.096 1.541 1.00 0.00 H new ATOM 0 HD13 ILE A 64 7.227 -8.685 2.306 1.00 0.00 H new ATOM 997 N THR A 65 8.001 -4.801 6.874 1.00 0.00 N ATOM 998 CA THR A 65 8.484 -4.784 8.243 1.00 0.00 C ATOM 999 C THR A 65 8.514 -6.191 8.831 1.00 0.00 C ATOM 1000 O THR A 65 7.871 -7.106 8.310 1.00 0.00 O ATOM 1001 CB THR A 65 7.610 -3.873 9.123 1.00 0.00 C ATOM 1002 OG1 THR A 65 6.230 -4.194 8.924 1.00 0.00 O ATOM 1003 CG2 THR A 65 7.853 -2.409 8.790 1.00 0.00 C ATOM 0 H THR A 65 7.038 -4.483 6.762 1.00 0.00 H new ATOM 0 HA THR A 65 9.500 -4.389 8.226 1.00 0.00 H new ATOM 0 HB THR A 65 7.876 -4.037 10.167 1.00 0.00 H new ATOM 0 HG1 THR A 65 5.936 -3.850 8.054 1.00 0.00 H new ATOM 0 HG21 THR A 65 7.225 -1.783 9.424 1.00 0.00 H new ATOM 0 HG22 THR A 65 8.901 -2.165 8.964 1.00 0.00 H new ATOM 0 HG23 THR A 65 7.607 -2.228 7.744 1.00 0.00 H new ATOM 1011 N SER A 66 9.245 -6.347 9.928 1.00 0.00 N ATOM 1012 CA SER A 66 9.428 -7.643 10.573 1.00 0.00 C ATOM 1013 C SER A 66 8.100 -8.216 11.071 1.00 0.00 C ATOM 1014 O SER A 66 7.946 -9.430 11.195 1.00 0.00 O ATOM 1015 CB SER A 66 10.397 -7.488 11.738 1.00 0.00 C ATOM 1016 OG SER A 66 11.546 -6.759 11.340 1.00 0.00 O ATOM 0 H SER A 66 9.728 -5.580 10.396 1.00 0.00 H new ATOM 0 HA SER A 66 9.833 -8.340 9.839 1.00 0.00 H new ATOM 0 HB2 SER A 66 9.903 -6.975 12.563 1.00 0.00 H new ATOM 0 HB3 SER A 66 10.693 -8.471 12.105 1.00 0.00 H new ATOM 0 HG SER A 66 12.156 -6.668 12.102 1.00 0.00 H new ATOM 1022 N ASP A 67 7.151 -7.333 11.348 1.00 0.00 N ATOM 1023 CA ASP A 67 5.837 -7.736 11.835 1.00 0.00 C ATOM 1024 C ASP A 67 4.982 -8.281 10.693 1.00 0.00 C ATOM 1025 O ASP A 67 3.970 -8.948 10.911 1.00 0.00 O ATOM 1026 CB ASP A 67 5.136 -6.532 12.473 1.00 0.00 C ATOM 1027 CG ASP A 67 3.962 -6.917 13.350 1.00 0.00 C ATOM 1028 OD1 ASP A 67 2.838 -7.070 12.830 1.00 0.00 O ATOM 1029 OD2 ASP A 67 4.156 -7.032 14.581 1.00 0.00 O ATOM 0 H ASP A 67 7.267 -6.325 11.243 1.00 0.00 H new ATOM 0 HA ASP A 67 5.967 -8.523 12.578 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.858 -5.974 13.069 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.788 -5.864 11.685 1.00 0.00 H new ATOM 1034 N GLY A 68 5.415 -8.006 9.468 1.00 0.00 N ATOM 1035 CA GLY A 68 4.638 -8.376 8.304 1.00 0.00 C ATOM 1036 C GLY A 68 3.641 -7.297 7.952 1.00 0.00 C ATOM 1037 O GLY A 68 2.463 -7.575 7.718 1.00 0.00 O ATOM 0 H GLY A 68 6.294 -7.531 9.262 1.00 0.00 H new ATOM 0 HA2 GLY A 68 5.304 -8.551 7.459 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.113 -9.312 8.495 1.00 0.00 H new ATOM 1041 N VAL A 69 4.113 -6.060 7.930 1.00 0.00 N ATOM 1042 CA VAL A 69 3.254 -4.910 7.689 1.00 0.00 C ATOM 1043 C VAL A 69 3.813 -4.018 6.581 1.00 0.00 C ATOM 1044 O VAL A 69 5.022 -3.787 6.509 1.00 0.00 O ATOM 1045 CB VAL A 69 3.096 -4.059 8.969 1.00 0.00 C ATOM 1046 CG1 VAL A 69 2.149 -2.898 8.732 1.00 0.00 C ATOM 1047 CG2 VAL A 69 2.626 -4.914 10.135 1.00 0.00 C ATOM 0 H VAL A 69 5.095 -5.825 8.077 1.00 0.00 H new ATOM 0 HA VAL A 69 2.284 -5.301 7.383 1.00 0.00 H new ATOM 0 HB VAL A 69 4.073 -3.650 9.225 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.054 -2.314 9.647 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.542 -2.265 7.936 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.170 -3.280 8.442 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.523 -4.292 11.024 1.00 0.00 H new ATOM 0 HG22 VAL A 69 1.663 -5.363 9.892 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.355 -5.701 10.326 1.00 0.00 H new ATOM 1057 N ILE A 70 2.925 -3.523 5.730 1.00 0.00 N ATOM 1058 CA ILE A 70 3.288 -2.559 4.704 1.00 0.00 C ATOM 1059 C ILE A 70 2.786 -1.170 5.092 1.00 0.00 C ATOM 1060 O ILE A 70 1.609 -0.993 5.425 1.00 0.00 O ATOM 1061 CB ILE A 70 2.715 -2.955 3.323 1.00 0.00 C ATOM 1062 CG1 ILE A 70 3.354 -4.252 2.831 1.00 0.00 C ATOM 1063 CG2 ILE A 70 2.933 -1.847 2.303 1.00 0.00 C ATOM 1064 CD1 ILE A 70 4.844 -4.138 2.578 1.00 0.00 C ATOM 0 H ILE A 70 1.937 -3.778 5.732 1.00 0.00 H new ATOM 0 HA ILE A 70 4.375 -2.548 4.627 1.00 0.00 H new ATOM 0 HB ILE A 70 1.642 -3.110 3.438 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.178 -5.036 3.568 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.861 -4.564 1.910 1.00 0.00 H new ATOM 0 HG21 ILE A 70 2.521 -2.152 1.341 1.00 0.00 H new ATOM 0 HG22 ILE A 70 2.434 -0.939 2.640 1.00 0.00 H new ATOM 0 HG23 ILE A 70 4.001 -1.656 2.196 1.00 0.00 H new ATOM 0 HD11 ILE A 70 5.229 -5.097 2.231 1.00 0.00 H new ATOM 0 HD12 ILE A 70 5.027 -3.378 1.819 1.00 0.00 H new ATOM 0 HD13 ILE A 70 5.350 -3.857 3.502 1.00 0.00 H new ATOM 1076 N VAL A 71 3.685 -0.198 5.067 1.00 0.00 N ATOM 1077 CA VAL A 71 3.343 1.182 5.386 1.00 0.00 C ATOM 1078 C VAL A 71 3.811 2.098 4.261 1.00 0.00 C ATOM 1079 O VAL A 71 4.944 1.983 3.796 1.00 0.00 O ATOM 1080 CB VAL A 71 3.990 1.638 6.715 1.00 0.00 C ATOM 1081 CG1 VAL A 71 3.566 3.055 7.064 1.00 0.00 C ATOM 1082 CG2 VAL A 71 3.641 0.684 7.851 1.00 0.00 C ATOM 0 H VAL A 71 4.666 -0.341 4.827 1.00 0.00 H new ATOM 0 HA VAL A 71 2.260 1.240 5.496 1.00 0.00 H new ATOM 0 HB VAL A 71 5.071 1.624 6.580 1.00 0.00 H new ATOM 0 HG11 VAL A 71 4.033 3.354 8.002 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.878 3.734 6.271 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.482 3.095 7.170 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.109 1.029 8.773 1.00 0.00 H new ATOM 0 HG22 VAL A 71 2.559 0.655 7.982 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.005 -0.315 7.612 1.00 0.00 H new ATOM 1092 N LEU A 72 2.941 2.993 3.812 1.00 0.00 N ATOM 1093 CA LEU A 72 3.281 3.890 2.717 1.00 0.00 C ATOM 1094 C LEU A 72 2.945 5.329 3.064 1.00 0.00 C ATOM 1095 O LEU A 72 2.157 5.600 3.975 1.00 0.00 O ATOM 1096 CB LEU A 72 2.545 3.520 1.417 1.00 0.00 C ATOM 1097 CG LEU A 72 2.670 2.067 0.949 1.00 0.00 C ATOM 1098 CD1 LEU A 72 1.628 1.191 1.634 1.00 0.00 C ATOM 1099 CD2 LEU A 72 2.533 1.982 -0.564 1.00 0.00 C ATOM 0 H LEU A 72 2.000 3.117 4.187 1.00 0.00 H new ATOM 0 HA LEU A 72 4.355 3.785 2.560 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.487 3.746 1.548 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.913 4.167 0.621 1.00 0.00 H new ATOM 0 HG LEU A 72 3.658 1.700 1.225 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.733 0.163 1.288 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.775 1.228 2.713 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.630 1.555 1.391 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.624 0.943 -0.880 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.559 2.368 -0.863 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.318 2.574 -1.034 1.00 0.00 H new ATOM 1111 N LYS A 73 3.555 6.239 2.324 1.00 0.00 N ATOM 1112 CA LYS A 73 3.262 7.655 2.419 1.00 0.00 C ATOM 1113 C LYS A 73 3.577 8.328 1.089 1.00 0.00 C ATOM 1114 O LYS A 73 4.727 8.361 0.648 1.00 0.00 O ATOM 1115 CB LYS A 73 4.034 8.318 3.568 1.00 0.00 C ATOM 1116 CG LYS A 73 5.529 8.046 3.562 1.00 0.00 C ATOM 1117 CD LYS A 73 6.258 8.890 4.596 1.00 0.00 C ATOM 1118 CE LYS A 73 5.885 8.500 6.017 1.00 0.00 C ATOM 1119 NZ LYS A 73 6.596 9.334 7.022 1.00 0.00 N ATOM 0 H LYS A 73 4.273 6.012 1.636 1.00 0.00 H new ATOM 0 HA LYS A 73 2.201 7.775 2.640 1.00 0.00 H new ATOM 0 HB2 LYS A 73 3.873 9.395 3.523 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.618 7.973 4.515 1.00 0.00 H new ATOM 0 HG2 LYS A 73 5.708 6.990 3.763 1.00 0.00 H new ATOM 0 HG3 LYS A 73 5.933 8.255 2.571 1.00 0.00 H new ATOM 0 HD2 LYS A 73 7.334 8.779 4.461 1.00 0.00 H new ATOM 0 HD3 LYS A 73 6.023 9.942 4.436 1.00 0.00 H new ATOM 0 HE2 LYS A 73 4.809 8.606 6.153 1.00 0.00 H new ATOM 0 HE3 LYS A 73 6.125 7.449 6.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 6.316 9.038 7.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 7.623 9.214 6.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.347 10.334 6.882 1.00 0.00 H new ATOM 1133 N ALA A 74 2.542 8.839 0.447 1.00 0.00 N ATOM 1134 CA ALA A 74 2.668 9.408 -0.886 1.00 0.00 C ATOM 1135 C ALA A 74 2.418 10.907 -0.869 1.00 0.00 C ATOM 1136 O ALA A 74 1.352 11.363 -0.465 1.00 0.00 O ATOM 1137 CB ALA A 74 1.709 8.720 -1.846 1.00 0.00 C ATOM 0 H ALA A 74 1.597 8.872 0.830 1.00 0.00 H new ATOM 0 HA ALA A 74 3.689 9.242 -1.229 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.814 9.156 -2.840 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.940 7.656 -1.890 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.685 8.855 -1.497 1.00 0.00 H new ATOM 1143 N GLN A 75 3.411 11.665 -1.311 1.00 0.00 N ATOM 1144 CA GLN A 75 3.325 13.124 -1.338 1.00 0.00 C ATOM 1145 C GLN A 75 3.793 13.673 -2.681 1.00 0.00 C ATOM 1146 O GLN A 75 4.110 14.853 -2.808 1.00 0.00 O ATOM 1147 CB GLN A 75 4.157 13.724 -0.191 1.00 0.00 C ATOM 1148 CG GLN A 75 5.385 12.904 0.203 1.00 0.00 C ATOM 1149 CD GLN A 75 6.413 12.760 -0.907 1.00 0.00 C ATOM 1150 OE1 GLN A 75 6.579 13.642 -1.745 1.00 0.00 O ATOM 1151 NE2 GLN A 75 7.119 11.640 -0.909 1.00 0.00 N ATOM 0 H GLN A 75 4.294 11.293 -1.659 1.00 0.00 H new ATOM 0 HA GLN A 75 2.282 13.409 -1.203 1.00 0.00 H new ATOM 0 HB2 GLN A 75 4.482 14.724 -0.480 1.00 0.00 H new ATOM 0 HB3 GLN A 75 3.517 13.837 0.684 1.00 0.00 H new ATOM 0 HG2 GLN A 75 5.860 13.371 1.066 1.00 0.00 H new ATOM 0 HG3 GLN A 75 5.061 11.911 0.516 1.00 0.00 H new ATOM 0 HE21 GLN A 75 6.952 10.930 -0.196 1.00 0.00 H new ATOM 0 HE22 GLN A 75 7.830 11.487 -1.624 1.00 0.00 H new ATOM 1160 N GLN A 76 3.796 12.809 -3.685 1.00 0.00 N ATOM 1161 CA GLN A 76 4.378 13.134 -4.981 1.00 0.00 C ATOM 1162 C GLN A 76 3.565 14.195 -5.721 1.00 0.00 C ATOM 1163 O GLN A 76 4.085 15.261 -6.052 1.00 0.00 O ATOM 1164 CB GLN A 76 4.495 11.865 -5.829 1.00 0.00 C ATOM 1165 CG GLN A 76 5.162 12.084 -7.176 1.00 0.00 C ATOM 1166 CD GLN A 76 5.387 10.794 -7.942 1.00 0.00 C ATOM 1167 OE1 GLN A 76 6.336 10.679 -8.715 1.00 0.00 O ATOM 1168 NE2 GLN A 76 4.527 9.808 -7.733 1.00 0.00 N ATOM 0 H GLN A 76 3.399 11.871 -3.627 1.00 0.00 H new ATOM 0 HA GLN A 76 5.371 13.549 -4.808 1.00 0.00 H new ATOM 0 HB2 GLN A 76 5.061 11.118 -5.272 1.00 0.00 H new ATOM 0 HB3 GLN A 76 3.498 11.455 -5.991 1.00 0.00 H new ATOM 0 HG2 GLN A 76 4.546 12.754 -7.776 1.00 0.00 H new ATOM 0 HG3 GLN A 76 6.120 12.582 -7.025 1.00 0.00 H new ATOM 0 HE21 GLN A 76 3.750 9.937 -7.084 1.00 0.00 H new ATOM 0 HE22 GLN A 76 4.642 8.919 -8.221 1.00 0.00 H new ATOM 1177 N TYR A 77 2.298 13.905 -5.975 1.00 0.00 N ATOM 1178 CA TYR A 77 1.453 14.781 -6.747 1.00 0.00 C ATOM 1179 C TYR A 77 0.900 15.933 -5.908 1.00 0.00 C ATOM 1180 O TYR A 77 1.021 15.938 -4.679 1.00 0.00 O ATOM 1181 CB TYR A 77 0.329 13.952 -7.345 1.00 0.00 C ATOM 1182 CG TYR A 77 0.811 12.962 -8.384 1.00 0.00 C ATOM 1183 CD1 TYR A 77 1.315 13.402 -9.603 1.00 0.00 C ATOM 1184 CD2 TYR A 77 0.776 11.594 -8.144 1.00 0.00 C ATOM 1185 CE1 TYR A 77 1.772 12.507 -10.551 1.00 0.00 C ATOM 1186 CE2 TYR A 77 1.228 10.692 -9.088 1.00 0.00 C ATOM 1187 CZ TYR A 77 1.727 11.154 -10.289 1.00 0.00 C ATOM 1188 OH TYR A 77 2.190 10.261 -11.229 1.00 0.00 O ATOM 0 H TYR A 77 1.835 13.057 -5.650 1.00 0.00 H new ATOM 0 HA TYR A 77 2.044 15.240 -7.540 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -0.181 13.413 -6.547 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -0.404 14.618 -7.799 1.00 0.00 H new ATOM 0 HD1 TYR A 77 1.350 14.461 -9.812 1.00 0.00 H new ATOM 0 HD2 TYR A 77 0.389 11.230 -7.204 1.00 0.00 H new ATOM 0 HE1 TYR A 77 2.162 12.865 -11.492 1.00 0.00 H new ATOM 0 HE2 TYR A 77 1.191 9.631 -8.887 1.00 0.00 H new ATOM 0 HH TYR A 77 2.089 9.347 -10.890 1.00 0.00 H new ATOM 1198 N ARG A 78 0.282 16.897 -6.589 1.00 0.00 N ATOM 1199 CA ARG A 78 -0.221 18.113 -5.948 1.00 0.00 C ATOM 1200 C ARG A 78 -1.516 17.867 -5.181 1.00 0.00 C ATOM 1201 O ARG A 78 -1.945 18.702 -4.378 1.00 0.00 O ATOM 1202 CB ARG A 78 -0.470 19.202 -6.994 1.00 0.00 C ATOM 1203 CG ARG A 78 0.736 20.078 -7.291 1.00 0.00 C ATOM 1204 CD ARG A 78 1.868 19.314 -7.956 1.00 0.00 C ATOM 1205 NE ARG A 78 3.002 20.191 -8.249 1.00 0.00 N ATOM 1206 CZ ARG A 78 4.199 19.765 -8.650 1.00 0.00 C ATOM 1207 NH1 ARG A 78 4.406 18.480 -8.907 1.00 0.00 N ATOM 1208 NH2 ARG A 78 5.179 20.638 -8.830 1.00 0.00 N ATOM 0 H ARG A 78 0.116 16.859 -7.595 1.00 0.00 H new ATOM 0 HA ARG A 78 0.543 18.434 -5.240 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -0.797 18.730 -7.920 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -1.288 19.836 -6.652 1.00 0.00 H new ATOM 0 HG2 ARG A 78 0.431 20.902 -7.937 1.00 0.00 H new ATOM 0 HG3 ARG A 78 1.097 20.518 -6.362 1.00 0.00 H new ATOM 0 HD2 ARG A 78 2.192 18.502 -7.306 1.00 0.00 H new ATOM 0 HD3 ARG A 78 1.509 18.859 -8.879 1.00 0.00 H new ATOM 0 HE ARG A 78 2.867 21.196 -8.139 1.00 0.00 H new ATOM 0 HH11 ARG A 78 3.645 17.809 -8.798 1.00 0.00 H new ATOM 0 HH12 ARG A 78 5.326 18.163 -9.214 1.00 0.00 H new ATOM 0 HH21 ARG A 78 5.015 21.631 -8.662 1.00 0.00 H new ATOM 0 HH22 ARG A 78 6.097 20.318 -9.137 1.00 0.00 H new ATOM 1222 N THR A 79 -2.149 16.741 -5.448 1.00 0.00 N ATOM 1223 CA THR A 79 -3.410 16.409 -4.812 1.00 0.00 C ATOM 1224 C THR A 79 -3.283 15.138 -3.982 1.00 0.00 C ATOM 1225 O THR A 79 -2.490 14.251 -4.309 1.00 0.00 O ATOM 1226 CB THR A 79 -4.524 16.217 -5.857 1.00 0.00 C ATOM 1227 OG1 THR A 79 -4.128 15.222 -6.806 1.00 0.00 O ATOM 1228 CG2 THR A 79 -4.828 17.515 -6.584 1.00 0.00 C ATOM 0 H THR A 79 -1.809 16.038 -6.104 1.00 0.00 H new ATOM 0 HA THR A 79 -3.671 17.242 -4.159 1.00 0.00 H new ATOM 0 HB THR A 79 -5.426 15.897 -5.335 1.00 0.00 H new ATOM 0 HG1 THR A 79 -4.624 15.351 -7.641 1.00 0.00 H new ATOM 0 HG21 THR A 79 -5.619 17.346 -7.315 1.00 0.00 H new ATOM 0 HG22 THR A 79 -5.153 18.267 -5.865 1.00 0.00 H new ATOM 0 HG23 THR A 79 -3.931 17.865 -7.094 1.00 0.00 H new ATOM 1236 N GLN A 80 -4.060 15.054 -2.914 1.00 0.00 N ATOM 1237 CA GLN A 80 -4.123 13.841 -2.114 1.00 0.00 C ATOM 1238 C GLN A 80 -4.844 12.759 -2.905 1.00 0.00 C ATOM 1239 O GLN A 80 -4.548 11.574 -2.781 1.00 0.00 O ATOM 1240 CB GLN A 80 -4.864 14.089 -0.796 1.00 0.00 C ATOM 1241 CG GLN A 80 -4.241 15.169 0.073 1.00 0.00 C ATOM 1242 CD GLN A 80 -4.988 15.362 1.378 1.00 0.00 C ATOM 1243 OE1 GLN A 80 -6.195 15.133 1.460 1.00 0.00 O ATOM 1244 NE2 GLN A 80 -4.281 15.793 2.409 1.00 0.00 N ATOM 0 H GLN A 80 -4.656 15.812 -2.581 1.00 0.00 H new ATOM 0 HA GLN A 80 -3.106 13.524 -1.881 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -5.895 14.366 -1.018 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -4.899 13.158 -0.230 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -3.204 14.907 0.286 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -4.226 16.110 -0.477 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -3.282 15.972 2.303 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -4.734 15.946 3.310 1.00 0.00 H new ATOM 1253 N GLU A 81 -5.785 13.197 -3.731 1.00 0.00 N ATOM 1254 CA GLU A 81 -6.599 12.301 -4.543 1.00 0.00 C ATOM 1255 C GLU A 81 -5.751 11.503 -5.534 1.00 0.00 C ATOM 1256 O GLU A 81 -5.839 10.276 -5.582 1.00 0.00 O ATOM 1257 CB GLU A 81 -7.653 13.122 -5.286 1.00 0.00 C ATOM 1258 CG GLU A 81 -8.609 12.290 -6.119 1.00 0.00 C ATOM 1259 CD GLU A 81 -9.579 13.146 -6.903 1.00 0.00 C ATOM 1260 OE1 GLU A 81 -9.247 13.543 -8.041 1.00 0.00 O ATOM 1261 OE2 GLU A 81 -10.678 13.435 -6.380 1.00 0.00 O ATOM 0 H GLU A 81 -6.006 14.185 -3.857 1.00 0.00 H new ATOM 0 HA GLU A 81 -7.083 11.581 -3.883 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -8.227 13.699 -4.561 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -7.149 13.838 -5.936 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -8.039 11.666 -6.808 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -9.166 11.618 -5.466 1.00 0.00 H new ATOM 1268 N GLN A 82 -4.925 12.195 -6.312 1.00 0.00 N ATOM 1269 CA GLN A 82 -4.096 11.532 -7.315 1.00 0.00 C ATOM 1270 C GLN A 82 -3.035 10.659 -6.657 1.00 0.00 C ATOM 1271 O GLN A 82 -2.696 9.595 -7.172 1.00 0.00 O ATOM 1272 CB GLN A 82 -3.451 12.548 -8.259 1.00 0.00 C ATOM 1273 CG GLN A 82 -4.329 12.944 -9.444 1.00 0.00 C ATOM 1274 CD GLN A 82 -5.678 13.514 -9.039 1.00 0.00 C ATOM 1275 OE1 GLN A 82 -5.818 14.718 -8.820 1.00 0.00 O ATOM 1276 NE2 GLN A 82 -6.683 12.657 -8.961 1.00 0.00 N ATOM 0 H GLN A 82 -4.811 13.208 -6.269 1.00 0.00 H new ATOM 0 HA GLN A 82 -4.746 10.888 -7.907 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -3.198 13.444 -7.693 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -2.516 12.135 -8.636 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -3.799 13.681 -10.048 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -4.488 12.070 -10.075 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -6.525 11.667 -9.150 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -7.616 12.986 -8.712 1.00 0.00 H new ATOM 1285 N ASN A 83 -2.521 11.105 -5.513 1.00 0.00 N ATOM 1286 CA ASN A 83 -1.586 10.292 -4.738 1.00 0.00 C ATOM 1287 C ASN A 83 -2.290 9.048 -4.202 1.00 0.00 C ATOM 1288 O ASN A 83 -1.717 7.961 -4.176 1.00 0.00 O ATOM 1289 CB ASN A 83 -0.981 11.096 -3.577 1.00 0.00 C ATOM 1290 CG ASN A 83 0.144 12.013 -4.022 1.00 0.00 C ATOM 1291 OD1 ASN A 83 0.862 11.716 -4.973 1.00 0.00 O ATOM 1292 ND2 ASN A 83 0.321 13.123 -3.326 1.00 0.00 N ATOM 0 H ASN A 83 -2.733 12.015 -5.105 1.00 0.00 H new ATOM 0 HA ASN A 83 -0.775 9.988 -5.399 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -1.764 11.690 -3.106 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -0.605 10.407 -2.821 1.00 0.00 H new ATOM 0 HD21 ASN A 83 1.074 13.765 -3.573 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -0.295 13.337 -2.542 1.00 0.00 H new ATOM 1299 N ARG A 84 -3.545 9.222 -3.803 1.00 0.00 N ATOM 1300 CA ARG A 84 -4.363 8.126 -3.292 1.00 0.00 C ATOM 1301 C ARG A 84 -4.622 7.101 -4.389 1.00 0.00 C ATOM 1302 O ARG A 84 -4.383 5.909 -4.209 1.00 0.00 O ATOM 1303 CB ARG A 84 -5.690 8.687 -2.783 1.00 0.00 C ATOM 1304 CG ARG A 84 -6.543 7.706 -1.997 1.00 0.00 C ATOM 1305 CD ARG A 84 -7.791 8.397 -1.474 1.00 0.00 C ATOM 1306 NE ARG A 84 -8.614 7.523 -0.639 1.00 0.00 N ATOM 1307 CZ ARG A 84 -9.341 7.952 0.397 1.00 0.00 C ATOM 1308 NH1 ARG A 84 -9.328 9.237 0.740 1.00 0.00 N ATOM 1309 NH2 ARG A 84 -10.080 7.094 1.084 1.00 0.00 N ATOM 0 H ARG A 84 -4.023 10.123 -3.824 1.00 0.00 H new ATOM 0 HA ARG A 84 -3.834 7.633 -2.476 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -5.484 9.552 -2.153 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -6.267 9.045 -3.636 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -6.823 6.866 -2.633 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -5.968 7.299 -1.165 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -7.500 9.275 -0.897 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -8.385 8.752 -2.317 1.00 0.00 H new ATOM 0 HE ARG A 84 -8.634 6.528 -0.860 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -8.761 9.900 0.211 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -9.885 9.559 1.532 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -10.093 6.108 0.822 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -10.636 7.419 1.875 1.00 0.00 H new ATOM 1323 N ALA A 85 -5.109 7.589 -5.523 1.00 0.00 N ATOM 1324 CA ALA A 85 -5.422 6.740 -6.669 1.00 0.00 C ATOM 1325 C ALA A 85 -4.194 5.975 -7.149 1.00 0.00 C ATOM 1326 O ALA A 85 -4.270 4.774 -7.427 1.00 0.00 O ATOM 1327 CB ALA A 85 -6.002 7.577 -7.802 1.00 0.00 C ATOM 0 H ALA A 85 -5.298 8.580 -5.676 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.165 6.009 -6.351 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.231 6.932 -8.650 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -6.914 8.067 -7.462 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -5.276 8.332 -8.105 1.00 0.00 H new ATOM 1333 N ASP A 86 -3.063 6.672 -7.238 1.00 0.00 N ATOM 1334 CA ASP A 86 -1.812 6.054 -7.671 1.00 0.00 C ATOM 1335 C ASP A 86 -1.389 4.978 -6.691 1.00 0.00 C ATOM 1336 O ASP A 86 -1.061 3.864 -7.084 1.00 0.00 O ATOM 1337 CB ASP A 86 -0.700 7.097 -7.781 1.00 0.00 C ATOM 1338 CG ASP A 86 0.581 6.525 -8.367 1.00 0.00 C ATOM 1339 OD1 ASP A 86 0.677 6.411 -9.607 1.00 0.00 O ATOM 1340 OD2 ASP A 86 1.500 6.185 -7.592 1.00 0.00 O ATOM 0 H ASP A 86 -2.987 7.665 -7.016 1.00 0.00 H new ATOM 0 HA ASP A 86 -1.981 5.609 -8.651 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -1.042 7.924 -8.403 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -0.492 7.507 -6.793 1.00 0.00 H new ATOM 1345 N ALA A 87 -1.415 5.327 -5.412 1.00 0.00 N ATOM 1346 CA ALA A 87 -1.024 4.410 -4.344 1.00 0.00 C ATOM 1347 C ALA A 87 -1.857 3.130 -4.360 1.00 0.00 C ATOM 1348 O ALA A 87 -1.322 2.044 -4.158 1.00 0.00 O ATOM 1349 CB ALA A 87 -1.135 5.096 -2.989 1.00 0.00 C ATOM 0 H ALA A 87 -1.706 6.248 -5.084 1.00 0.00 H new ATOM 0 HA ALA A 87 0.015 4.129 -4.518 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -0.840 4.400 -2.204 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -0.479 5.967 -2.967 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.165 5.413 -2.825 1.00 0.00 H new ATOM 1355 N LEU A 88 -3.157 3.257 -4.606 1.00 0.00 N ATOM 1356 CA LEU A 88 -4.043 2.095 -4.650 1.00 0.00 C ATOM 1357 C LEU A 88 -3.655 1.161 -5.794 1.00 0.00 C ATOM 1358 O LEU A 88 -3.582 -0.058 -5.620 1.00 0.00 O ATOM 1359 CB LEU A 88 -5.498 2.542 -4.801 1.00 0.00 C ATOM 1360 CG LEU A 88 -6.064 3.341 -3.627 1.00 0.00 C ATOM 1361 CD1 LEU A 88 -7.486 3.792 -3.925 1.00 0.00 C ATOM 1362 CD2 LEU A 88 -6.023 2.519 -2.353 1.00 0.00 C ATOM 0 H LEU A 88 -3.621 4.149 -4.778 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.939 1.550 -3.712 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -5.583 3.146 -5.704 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -6.118 1.658 -4.950 1.00 0.00 H new ATOM 0 HG LEU A 88 -5.444 4.226 -3.484 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.873 4.359 -3.078 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -7.489 4.421 -4.815 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -8.116 2.919 -4.095 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.430 3.105 -1.529 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -6.618 1.615 -2.484 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.992 2.246 -2.129 1.00 0.00 H new ATOM 1374 N LEU A 89 -3.395 1.740 -6.959 1.00 0.00 N ATOM 1375 CA LEU A 89 -2.979 0.969 -8.124 1.00 0.00 C ATOM 1376 C LEU A 89 -1.589 0.388 -7.875 1.00 0.00 C ATOM 1377 O LEU A 89 -1.329 -0.781 -8.136 1.00 0.00 O ATOM 1378 CB LEU A 89 -2.985 1.873 -9.369 1.00 0.00 C ATOM 1379 CG LEU A 89 -3.010 1.163 -10.730 1.00 0.00 C ATOM 1380 CD1 LEU A 89 -1.659 0.547 -11.064 1.00 0.00 C ATOM 1381 CD2 LEU A 89 -4.100 0.099 -10.752 1.00 0.00 C ATOM 0 H LEU A 89 -3.465 2.744 -7.123 1.00 0.00 H new ATOM 0 HA LEU A 89 -3.673 0.146 -8.295 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.853 2.529 -9.310 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -2.101 2.510 -9.333 1.00 0.00 H new ATOM 0 HG LEU A 89 -3.230 1.911 -11.492 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.714 0.053 -12.034 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.901 1.329 -11.098 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -1.393 -0.183 -10.300 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -4.106 -0.396 -11.723 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -3.906 -0.636 -9.971 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -5.069 0.567 -10.578 1.00 0.00 H new ATOM 1393 N ARG A 90 -0.719 1.224 -7.333 1.00 0.00 N ATOM 1394 CA ARG A 90 0.652 0.846 -7.015 1.00 0.00 C ATOM 1395 C ARG A 90 0.685 -0.312 -6.017 1.00 0.00 C ATOM 1396 O ARG A 90 1.490 -1.233 -6.151 1.00 0.00 O ATOM 1397 CB ARG A 90 1.373 2.069 -6.445 1.00 0.00 C ATOM 1398 CG ARG A 90 2.864 1.893 -6.224 1.00 0.00 C ATOM 1399 CD ARG A 90 3.481 3.205 -5.769 1.00 0.00 C ATOM 1400 NE ARG A 90 4.934 3.134 -5.618 1.00 0.00 N ATOM 1401 CZ ARG A 90 5.782 3.929 -6.270 1.00 0.00 C ATOM 1402 NH1 ARG A 90 5.334 4.750 -7.213 1.00 0.00 N ATOM 1403 NH2 ARG A 90 7.080 3.895 -5.999 1.00 0.00 N ATOM 0 H ARG A 90 -0.944 2.191 -7.099 1.00 0.00 H new ATOM 0 HA ARG A 90 1.155 0.508 -7.921 1.00 0.00 H new ATOM 0 HB2 ARG A 90 1.219 2.910 -7.121 1.00 0.00 H new ATOM 0 HB3 ARG A 90 0.910 2.334 -5.495 1.00 0.00 H new ATOM 0 HG2 ARG A 90 3.040 1.120 -5.476 1.00 0.00 H new ATOM 0 HG3 ARG A 90 3.340 1.559 -7.146 1.00 0.00 H new ATOM 0 HD2 ARG A 90 3.234 3.985 -6.490 1.00 0.00 H new ATOM 0 HD3 ARG A 90 3.037 3.498 -4.818 1.00 0.00 H new ATOM 0 HE ARG A 90 5.319 2.438 -4.979 1.00 0.00 H new ATOM 0 HH11 ARG A 90 4.340 4.773 -7.439 1.00 0.00 H new ATOM 0 HH12 ARG A 90 5.984 5.358 -7.711 1.00 0.00 H new ATOM 0 HH21 ARG A 90 7.436 3.257 -5.287 1.00 0.00 H new ATOM 0 HH22 ARG A 90 7.722 4.507 -6.503 1.00 0.00 H new ATOM 1417 N LEU A 91 -0.203 -0.262 -5.027 1.00 0.00 N ATOM 1418 CA LEU A 91 -0.270 -1.288 -3.995 1.00 0.00 C ATOM 1419 C LEU A 91 -0.723 -2.616 -4.581 1.00 0.00 C ATOM 1420 O LEU A 91 -0.075 -3.644 -4.390 1.00 0.00 O ATOM 1421 CB LEU A 91 -1.241 -0.861 -2.895 1.00 0.00 C ATOM 1422 CG LEU A 91 -1.270 -1.766 -1.660 1.00 0.00 C ATOM 1423 CD1 LEU A 91 0.084 -1.773 -0.967 1.00 0.00 C ATOM 1424 CD2 LEU A 91 -2.363 -1.318 -0.702 1.00 0.00 C ATOM 0 H LEU A 91 -0.890 0.485 -4.920 1.00 0.00 H new ATOM 0 HA LEU A 91 0.728 -1.412 -3.574 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -0.984 0.150 -2.578 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -2.245 -0.817 -3.317 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.490 -2.784 -1.982 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.042 -2.422 -0.092 1.00 0.00 H new ATOM 0 HD12 LEU A 91 0.844 -2.142 -1.656 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.338 -0.760 -0.655 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -2.372 -1.971 0.171 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -2.172 -0.292 -0.386 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -3.330 -1.370 -1.203 1.00 0.00 H new ATOM 1436 N SER A 92 -1.830 -2.582 -5.304 1.00 0.00 N ATOM 1437 CA SER A 92 -2.379 -3.783 -5.918 1.00 0.00 C ATOM 1438 C SER A 92 -1.396 -4.379 -6.924 1.00 0.00 C ATOM 1439 O SER A 92 -1.216 -5.596 -6.990 1.00 0.00 O ATOM 1440 CB SER A 92 -3.727 -3.476 -6.579 1.00 0.00 C ATOM 1441 OG SER A 92 -3.666 -2.293 -7.359 1.00 0.00 O ATOM 0 H SER A 92 -2.369 -1.734 -5.481 1.00 0.00 H new ATOM 0 HA SER A 92 -2.544 -4.525 -5.137 1.00 0.00 H new ATOM 0 HB2 SER A 92 -4.023 -4.314 -7.210 1.00 0.00 H new ATOM 0 HB3 SER A 92 -4.494 -3.368 -5.812 1.00 0.00 H new ATOM 0 HG SER A 92 -3.783 -1.512 -6.779 1.00 0.00 H new ATOM 1447 N GLU A 93 -0.757 -3.505 -7.686 1.00 0.00 N ATOM 1448 CA GLU A 93 0.291 -3.899 -8.622 1.00 0.00 C ATOM 1449 C GLU A 93 1.418 -4.607 -7.872 1.00 0.00 C ATOM 1450 O GLU A 93 1.884 -5.670 -8.281 1.00 0.00 O ATOM 1451 CB GLU A 93 0.826 -2.650 -9.333 1.00 0.00 C ATOM 1452 CG GLU A 93 0.992 -2.801 -10.833 1.00 0.00 C ATOM 1453 CD GLU A 93 2.101 -3.756 -11.217 1.00 0.00 C ATOM 1454 OE1 GLU A 93 3.286 -3.402 -11.025 1.00 0.00 O ATOM 1455 OE2 GLU A 93 1.795 -4.849 -11.731 1.00 0.00 O ATOM 0 H GLU A 93 -0.948 -2.503 -7.675 1.00 0.00 H new ATOM 0 HA GLU A 93 -0.117 -4.587 -9.363 1.00 0.00 H new ATOM 0 HB2 GLU A 93 0.149 -1.818 -9.137 1.00 0.00 H new ATOM 0 HB3 GLU A 93 1.790 -2.385 -8.899 1.00 0.00 H new ATOM 0 HG2 GLU A 93 0.054 -3.153 -11.262 1.00 0.00 H new ATOM 0 HG3 GLU A 93 1.196 -1.823 -11.270 1.00 0.00 H new ATOM 1462 N LEU A 94 1.820 -4.020 -6.750 1.00 0.00 N ATOM 1463 CA LEU A 94 2.881 -4.579 -5.923 1.00 0.00 C ATOM 1464 C LEU A 94 2.494 -5.961 -5.403 1.00 0.00 C ATOM 1465 O LEU A 94 3.325 -6.864 -5.359 1.00 0.00 O ATOM 1466 CB LEU A 94 3.192 -3.649 -4.749 1.00 0.00 C ATOM 1467 CG LEU A 94 4.353 -4.094 -3.851 1.00 0.00 C ATOM 1468 CD1 LEU A 94 5.652 -4.154 -4.642 1.00 0.00 C ATOM 1469 CD2 LEU A 94 4.495 -3.156 -2.663 1.00 0.00 C ATOM 0 H LEU A 94 1.423 -3.151 -6.391 1.00 0.00 H new ATOM 0 HA LEU A 94 3.773 -4.678 -6.542 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.417 -2.658 -5.142 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.296 -3.553 -4.136 1.00 0.00 H new ATOM 0 HG LEU A 94 4.134 -5.094 -3.478 1.00 0.00 H new ATOM 0 HD11 LEU A 94 6.463 -4.472 -3.986 1.00 0.00 H new ATOM 0 HD12 LEU A 94 5.547 -4.866 -5.461 1.00 0.00 H new ATOM 0 HD13 LEU A 94 5.878 -3.167 -5.046 1.00 0.00 H new ATOM 0 HD21 LEU A 94 5.323 -3.486 -2.036 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.690 -2.145 -3.019 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.574 -3.164 -2.081 1.00 0.00 H new ATOM 1481 N ILE A 95 1.230 -6.116 -5.015 1.00 0.00 N ATOM 1482 CA ILE A 95 0.724 -7.396 -4.526 1.00 0.00 C ATOM 1483 C ILE A 95 0.894 -8.485 -5.585 1.00 0.00 C ATOM 1484 O ILE A 95 1.356 -9.589 -5.289 1.00 0.00 O ATOM 1485 CB ILE A 95 -0.763 -7.293 -4.117 1.00 0.00 C ATOM 1486 CG1 ILE A 95 -0.935 -6.265 -2.993 1.00 0.00 C ATOM 1487 CG2 ILE A 95 -1.293 -8.652 -3.679 1.00 0.00 C ATOM 1488 CD1 ILE A 95 -2.379 -5.999 -2.625 1.00 0.00 C ATOM 0 H ILE A 95 0.536 -5.369 -5.030 1.00 0.00 H new ATOM 0 HA ILE A 95 1.307 -7.662 -3.644 1.00 0.00 H new ATOM 0 HB ILE A 95 -1.337 -6.963 -4.983 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -0.403 -6.615 -2.108 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -0.468 -5.328 -3.296 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -2.341 -8.559 -3.395 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -1.201 -9.361 -4.502 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -0.716 -9.010 -2.826 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -2.420 -5.262 -1.823 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -2.912 -5.618 -3.496 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -2.846 -6.925 -2.290 1.00 0.00 H new ATOM 1500 N VAL A 96 0.539 -8.159 -6.822 1.00 0.00 N ATOM 1501 CA VAL A 96 0.694 -9.090 -7.933 1.00 0.00 C ATOM 1502 C VAL A 96 2.172 -9.402 -8.157 1.00 0.00 C ATOM 1503 O VAL A 96 2.555 -10.561 -8.328 1.00 0.00 O ATOM 1504 CB VAL A 96 0.087 -8.528 -9.233 1.00 0.00 C ATOM 1505 CG1 VAL A 96 0.229 -9.525 -10.375 1.00 0.00 C ATOM 1506 CG2 VAL A 96 -1.375 -8.166 -9.024 1.00 0.00 C ATOM 0 H VAL A 96 0.141 -7.256 -7.081 1.00 0.00 H new ATOM 0 HA VAL A 96 0.159 -10.003 -7.672 1.00 0.00 H new ATOM 0 HB VAL A 96 0.635 -7.625 -9.500 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -0.207 -9.105 -11.281 1.00 0.00 H new ATOM 0 HG12 VAL A 96 1.285 -9.736 -10.545 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -0.289 -10.449 -10.118 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.788 -7.771 -9.952 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.932 -9.056 -8.729 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -1.455 -7.412 -8.241 1.00 0.00 H new ATOM 1516 N ASN A 97 2.997 -8.361 -8.132 1.00 0.00 N ATOM 1517 CA ASN A 97 4.435 -8.499 -8.311 1.00 0.00 C ATOM 1518 C ASN A 97 5.043 -9.377 -7.225 1.00 0.00 C ATOM 1519 O ASN A 97 5.945 -10.170 -7.487 1.00 0.00 O ATOM 1520 CB ASN A 97 5.095 -7.123 -8.278 1.00 0.00 C ATOM 1521 CG ASN A 97 4.761 -6.275 -9.489 1.00 0.00 C ATOM 1522 OD1 ASN A 97 4.593 -6.786 -10.595 1.00 0.00 O ATOM 1523 ND2 ASN A 97 4.656 -4.969 -9.285 1.00 0.00 N ATOM 0 H ASN A 97 2.687 -7.400 -7.987 1.00 0.00 H new ATOM 0 HA ASN A 97 4.611 -8.972 -9.277 1.00 0.00 H new ATOM 0 HB2 ASN A 97 4.781 -6.598 -7.376 1.00 0.00 H new ATOM 0 HB3 ASN A 97 6.176 -7.246 -8.215 1.00 0.00 H new ATOM 0 HD21 ASN A 97 4.428 -4.348 -10.062 1.00 0.00 H new ATOM 0 HD22 ASN A 97 4.803 -4.585 -8.351 1.00 0.00 H new ATOM 1530 N ALA A 98 4.536 -9.236 -6.009 1.00 0.00 N ATOM 1531 CA ALA A 98 5.051 -9.969 -4.860 1.00 0.00 C ATOM 1532 C ALA A 98 4.888 -11.474 -5.030 1.00 0.00 C ATOM 1533 O ALA A 98 5.723 -12.253 -4.575 1.00 0.00 O ATOM 1534 CB ALA A 98 4.350 -9.508 -3.595 1.00 0.00 C ATOM 0 H ALA A 98 3.759 -8.613 -5.791 1.00 0.00 H new ATOM 0 HA ALA A 98 6.118 -9.759 -4.783 1.00 0.00 H new ATOM 0 HB1 ALA A 98 4.741 -10.061 -2.741 1.00 0.00 H new ATOM 0 HB2 ALA A 98 4.526 -8.442 -3.449 1.00 0.00 H new ATOM 0 HB3 ALA A 98 3.279 -9.690 -3.686 1.00 0.00 H new ATOM 1540 N ALA A 99 3.813 -11.874 -5.698 1.00 0.00 N ATOM 1541 CA ALA A 99 3.541 -13.286 -5.933 1.00 0.00 C ATOM 1542 C ALA A 99 4.456 -13.834 -7.025 1.00 0.00 C ATOM 1543 O ALA A 99 4.594 -15.047 -7.189 1.00 0.00 O ATOM 1544 CB ALA A 99 2.079 -13.490 -6.307 1.00 0.00 C ATOM 0 H ALA A 99 3.115 -11.240 -6.087 1.00 0.00 H new ATOM 0 HA ALA A 99 3.741 -13.834 -5.012 1.00 0.00 H new ATOM 0 HB1 ALA A 99 1.892 -14.550 -6.479 1.00 0.00 H new ATOM 0 HB2 ALA A 99 1.443 -13.137 -5.495 1.00 0.00 H new ATOM 0 HB3 ALA A 99 1.854 -12.930 -7.214 1.00 0.00 H new ATOM 1550 N LYS A 100 5.076 -12.929 -7.770 1.00 0.00 N ATOM 1551 CA LYS A 100 5.959 -13.309 -8.863 1.00 0.00 C ATOM 1552 C LYS A 100 7.413 -13.335 -8.406 1.00 0.00 C ATOM 1553 O LYS A 100 8.243 -14.060 -8.957 1.00 0.00 O ATOM 1554 CB LYS A 100 5.803 -12.322 -10.023 1.00 0.00 C ATOM 1555 CG LYS A 100 4.361 -12.116 -10.458 1.00 0.00 C ATOM 1556 CD LYS A 100 4.231 -10.992 -11.476 1.00 0.00 C ATOM 1557 CE LYS A 100 4.824 -11.372 -12.824 1.00 0.00 C ATOM 1558 NZ LYS A 100 4.016 -12.409 -13.520 1.00 0.00 N ATOM 0 H LYS A 100 4.983 -11.922 -7.636 1.00 0.00 H new ATOM 0 HA LYS A 100 5.683 -14.310 -9.193 1.00 0.00 H new ATOM 0 HB2 LYS A 100 6.226 -11.361 -9.731 1.00 0.00 H new ATOM 0 HB3 LYS A 100 6.383 -12.680 -10.874 1.00 0.00 H new ATOM 0 HG2 LYS A 100 3.975 -13.041 -10.887 1.00 0.00 H new ATOM 0 HG3 LYS A 100 3.748 -11.889 -9.586 1.00 0.00 H new ATOM 0 HD2 LYS A 100 3.179 -10.737 -11.602 1.00 0.00 H new ATOM 0 HD3 LYS A 100 4.732 -10.101 -11.098 1.00 0.00 H new ATOM 0 HE2 LYS A 100 4.892 -10.484 -13.453 1.00 0.00 H new ATOM 0 HE3 LYS A 100 5.840 -11.740 -12.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 4.344 -12.503 -14.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 4.124 -13.320 -13.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 3.014 -12.130 -13.515 1.00 0.00 H new ATOM 1572 N LEU A 101 7.698 -12.553 -7.381 1.00 0.00 N ATOM 1573 CA LEU A 101 9.054 -12.357 -6.910 1.00 0.00 C ATOM 1574 C LEU A 101 9.396 -13.292 -5.757 1.00 0.00 C ATOM 1575 O LEU A 101 8.518 -13.944 -5.188 1.00 0.00 O ATOM 1576 CB LEU A 101 9.232 -10.907 -6.463 1.00 0.00 C ATOM 1577 CG LEU A 101 9.111 -9.860 -7.568 1.00 0.00 C ATOM 1578 CD1 LEU A 101 9.212 -8.461 -6.984 1.00 0.00 C ATOM 1579 CD2 LEU A 101 10.181 -10.072 -8.622 1.00 0.00 C ATOM 0 H LEU A 101 6.995 -12.036 -6.852 1.00 0.00 H new ATOM 0 HA LEU A 101 9.731 -12.584 -7.734 1.00 0.00 H new ATOM 0 HB2 LEU A 101 8.490 -10.688 -5.696 1.00 0.00 H new ATOM 0 HB3 LEU A 101 10.212 -10.806 -5.997 1.00 0.00 H new ATOM 0 HG LEU A 101 8.135 -9.969 -8.042 1.00 0.00 H new ATOM 0 HD11 LEU A 101 9.124 -7.726 -7.784 1.00 0.00 H new ATOM 0 HD12 LEU A 101 8.410 -8.309 -6.262 1.00 0.00 H new ATOM 0 HD13 LEU A 101 10.175 -8.343 -6.487 1.00 0.00 H new ATOM 0 HD21 LEU A 101 10.079 -9.317 -9.401 1.00 0.00 H new ATOM 0 HD22 LEU A 101 11.166 -9.989 -8.163 1.00 0.00 H new ATOM 0 HD23 LEU A 101 10.068 -11.063 -9.061 1.00 0.00 H new