USER MOD reduce.3.24.130724 H: found=0, std=0, add=1075, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1074 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 127 HIS : no HD1:sc= 0.525 K(o=1.1,f=-1) USER MOD Set 1.2: A 129 SER OG : rot -46:sc= 0.591 USER MOD Set 2.1: A 90 LYS NZ :NH3+ -142:sc= 0.206 (180deg=-0.44) USER MOD Set 2.2: A 128 THR OG1 : rot 180:sc= -0.0463 USER MOD Set 3.1: A 45 TYR OH : rot 165:sc= 1.7 USER MOD Set 3.2: A 53 LYS NZ :NH3+ -163:sc= 1.33 (180deg=-0.00591) USER MOD Set 3.3: A 57 THR OG1 : rot -77:sc= -0.559 USER MOD Set 4.1: A 27 MET CE :methyl 150:sc= -1.41 (180deg=-2.54) USER MOD Set 4.2: A 40 LYS NZ :NH3+ -126:sc= -0.892 (180deg=-2.98!) USER MOD Set 5.1: A 17 SER OG : rot 75:sc= 0.427 USER MOD Set 5.2: A 20 GLN : amide:sc= 2.03 K(o=2.5,f=-7.3!) USER MOD Set 6.1: A 4 THR OG1 : rot -6:sc= 0.804 USER MOD Set 6.2: A 7 SER OG : rot -11:sc= 2.84 USER MOD Single : A 1 HIS : no HD1:sc= 0 X(o=0,f=-0.0013) USER MOD Single : A 2 HIS : no HD1:sc= -0.141 X(o=-0.14,f=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A -3 SER OG : rot 180:sc= 0 USER MOD Single : A -4 GLY N :NH3+ -112:sc= 0.0542 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.0962 USER MOD Single : A 12 HIS : no HE2:sc= -0.592 K(o=-0.59,f=-1.6) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -1.36 K(o=-1.4,f=-2.3!) USER MOD Single : A 21 LYS NZ :NH3+ -130:sc= 0.692 (180deg=-0.0139) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 178:sc= 1.23 (180deg=1.2) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 44 TYR OH : rot -119:sc= 0.142 USER MOD Single : A 54 LYS NZ :NH3+ 161:sc= -0.092 (180deg=-0.465) USER MOD Single : A 59 HIS : no HD1:sc= -0.135 X(o=-0.14,f=-0.079) USER MOD Single : A 61 LYS NZ :NH3+ 150:sc= 1.26 (180deg=1.04) USER MOD Single : A 69 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0156) USER MOD Single : A 70 HIS : no HD1:sc= -0.409 X(o=-0.41,f=-0.062) USER MOD Single : A 76 LYS NZ :NH3+ -168:sc= 1.3 (180deg=1.21) USER MOD Single : A 81 LYS NZ :NH3+ 160:sc= -0.0613 (180deg=-0.502) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot -92:sc= 1.31 USER MOD Single : A 89 SER OG : rot 180:sc= -0.646 USER MOD Single : A 94 LYS NZ :NH3+ 166:sc= -0.0502 (180deg=-0.279) USER MOD Single : A 96 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0249) USER MOD Single : A 102 HIS : no HD1:sc= -0.0281 X(o=-0.028,f=-0.0071) USER MOD Single : A 105 THR OG1 : rot -19:sc= 0.992 USER MOD Single : A 109 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0641) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 GLN : amide:sc= 0.248 K(o=0.25,f=-0.36) USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ -179:sc= 0.668 (180deg=0.583) USER MOD Single : A 122 LYS NZ :NH3+ 178:sc= 1.22 (180deg=1.15) USER MOD Single : A 124 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -4 -19.223 13.563 -16.067 1.00 12.20 N ATOM 2 CA GLY A -4 -18.517 12.685 -17.028 1.00 11.71 C ATOM 3 C GLY A -4 -17.623 11.687 -16.328 1.00 10.84 C ATOM 4 O GLY A -4 -17.258 11.879 -15.167 1.00 10.86 O ATOM 0 H1 GLY A -4 -20.241 13.350 -16.086 1.00 12.20 H new ATOM 0 H2 GLY A -4 -18.852 13.398 -15.109 1.00 12.20 H new ATOM 0 H3 GLY A -4 -19.072 14.558 -16.330 1.00 12.20 H new ATOM 0 HA2 GLY A -4 -19.247 12.153 -17.638 1.00 11.71 H new ATOM 0 HA3 GLY A -4 -17.920 13.295 -17.706 1.00 11.71 H new ATOM 9 N SER A -3 -17.272 10.621 -17.028 1.00 10.23 N ATOM 10 CA SER A -3 -16.429 9.583 -16.466 1.00 9.45 C ATOM 11 C SER A -3 -14.963 9.844 -16.807 1.00 8.46 C ATOM 12 O SER A -3 -14.618 10.049 -17.970 1.00 8.10 O ATOM 13 CB SER A -3 -16.864 8.219 -17.006 1.00 9.56 C ATOM 14 OG SER A -3 -18.253 8.016 -16.798 1.00 9.90 O ATOM 0 H SER A -3 -17.561 10.453 -17.992 1.00 10.23 H new ATOM 0 HA SER A -3 -16.535 9.589 -15.381 1.00 9.45 H new ATOM 0 HB2 SER A -3 -16.638 8.155 -18.070 1.00 9.56 H new ATOM 0 HB3 SER A -3 -16.298 7.429 -16.512 1.00 9.56 H new ATOM 0 HG SER A -3 -18.512 7.139 -17.151 1.00 9.90 H new ATOM 20 N PRO A -2 -14.078 9.840 -15.797 1.00 8.27 N ATOM 21 CA PRO A -2 -12.646 10.086 -15.995 1.00 7.59 C ATOM 22 C PRO A -2 -11.896 8.854 -16.503 1.00 6.73 C ATOM 23 O PRO A -2 -10.668 8.795 -16.428 1.00 6.54 O ATOM 24 CB PRO A -2 -12.172 10.465 -14.596 1.00 8.12 C ATOM 25 CG PRO A -2 -13.068 9.702 -13.685 1.00 8.87 C ATOM 26 CD PRO A -2 -14.403 9.616 -14.376 1.00 9.01 C ATOM 0 HA PRO A -2 -12.462 10.848 -16.752 1.00 7.59 H new ATOM 0 HB2 PRO A -2 -11.127 10.196 -14.444 1.00 8.12 H new ATOM 0 HB3 PRO A -2 -12.253 11.539 -14.426 1.00 8.12 H new ATOM 0 HG2 PRO A -2 -12.667 8.707 -13.489 1.00 8.87 H new ATOM 0 HG3 PRO A -2 -13.161 10.204 -12.722 1.00 8.87 H new ATOM 0 HD2 PRO A -2 -14.872 8.644 -14.221 1.00 9.01 H new ATOM 0 HD3 PRO A -2 -15.097 10.368 -14.001 1.00 9.01 H new ATOM 34 N GLU A -1 -12.652 7.886 -17.022 1.00 6.51 N ATOM 35 CA GLU A -1 -12.107 6.629 -17.534 1.00 6.05 C ATOM 36 C GLU A -1 -11.421 5.818 -16.439 1.00 5.17 C ATOM 37 O GLU A -1 -12.044 4.967 -15.801 1.00 5.34 O ATOM 38 CB GLU A -1 -11.140 6.875 -18.700 1.00 6.62 C ATOM 39 CG GLU A -1 -11.812 7.439 -19.941 1.00 7.11 C ATOM 40 CD GLU A -1 -12.814 6.474 -20.547 1.00 7.82 C ATOM 41 OE1 GLU A -1 -12.394 5.580 -21.313 1.00 8.29 O ATOM 42 OE2 GLU A -1 -14.021 6.609 -20.268 1.00 8.12 O ATOM 0 H GLU A -1 -13.667 7.953 -17.099 1.00 6.51 H new ATOM 0 HA GLU A -1 -12.951 6.046 -17.902 1.00 6.05 H new ATOM 0 HB2 GLU A -1 -10.360 7.564 -18.375 1.00 6.62 H new ATOM 0 HB3 GLU A -1 -10.649 5.937 -18.958 1.00 6.62 H new ATOM 0 HG2 GLU A -1 -12.318 8.370 -19.685 1.00 7.11 H new ATOM 0 HG3 GLU A -1 -11.052 7.683 -20.683 1.00 7.11 H new ATOM 49 N PHE A 0 -10.152 6.103 -16.198 1.00 4.52 N ATOM 50 CA PHE A 0 -9.369 5.339 -15.245 1.00 3.81 C ATOM 51 C PHE A 0 -8.145 6.132 -14.803 1.00 2.87 C ATOM 52 O PHE A 0 -7.254 6.406 -15.602 1.00 2.71 O ATOM 53 CB PHE A 0 -8.935 4.011 -15.879 1.00 4.15 C ATOM 54 CG PHE A 0 -8.222 3.079 -14.940 1.00 4.33 C ATOM 55 CD1 PHE A 0 -8.937 2.169 -14.179 1.00 4.83 C ATOM 56 CD2 PHE A 0 -6.842 3.106 -14.826 1.00 4.43 C ATOM 57 CE1 PHE A 0 -8.286 1.306 -13.319 1.00 5.34 C ATOM 58 CE2 PHE A 0 -6.187 2.245 -13.968 1.00 4.95 C ATOM 59 CZ PHE A 0 -6.909 1.344 -13.214 1.00 5.37 C ATOM 0 H PHE A 0 -9.642 6.861 -16.652 1.00 4.52 H new ATOM 0 HA PHE A 0 -9.983 5.135 -14.368 1.00 3.81 H new ATOM 0 HB2 PHE A 0 -9.816 3.506 -16.274 1.00 4.15 H new ATOM 0 HB3 PHE A 0 -8.283 4.223 -16.726 1.00 4.15 H new ATOM 0 HD1 PHE A 0 -10.013 2.134 -14.259 1.00 4.83 H new ATOM 0 HD2 PHE A 0 -6.272 3.809 -15.415 1.00 4.43 H new ATOM 0 HE1 PHE A 0 -8.853 0.602 -12.729 1.00 5.34 H new ATOM 0 HE2 PHE A 0 -5.110 2.277 -13.888 1.00 4.95 H new ATOM 0 HZ PHE A 0 -6.399 0.669 -12.543 1.00 5.37 H new ATOM 69 N HIS A 1 -8.111 6.516 -13.535 1.00 2.77 N ATOM 70 CA HIS A 1 -6.924 7.144 -12.978 1.00 2.43 C ATOM 71 C HIS A 1 -5.888 6.072 -12.679 1.00 2.13 C ATOM 72 O HIS A 1 -6.164 5.114 -11.956 1.00 2.87 O ATOM 73 CB HIS A 1 -7.255 7.949 -11.720 1.00 3.10 C ATOM 74 CG HIS A 1 -8.024 9.201 -12.006 1.00 3.96 C ATOM 75 ND1 HIS A 1 -9.303 9.424 -11.550 1.00 4.72 N ATOM 76 CD2 HIS A 1 -7.681 10.304 -12.715 1.00 4.59 C ATOM 77 CE1 HIS A 1 -9.717 10.607 -11.965 1.00 5.61 C ATOM 78 NE2 HIS A 1 -8.751 11.163 -12.673 1.00 5.54 N ATOM 0 H HIS A 1 -8.884 6.405 -12.879 1.00 2.77 H new ATOM 0 HA HIS A 1 -6.520 7.845 -13.708 1.00 2.43 H new ATOM 0 HB2 HIS A 1 -7.832 7.324 -11.038 1.00 3.10 H new ATOM 0 HB3 HIS A 1 -6.328 8.209 -11.208 1.00 3.10 H new ATOM 0 HD2 HIS A 1 -6.741 10.475 -13.219 1.00 4.59 H new ATOM 0 HE1 HIS A 1 -10.682 11.046 -11.760 1.00 5.61 H new ATOM 0 HE2 HIS A 1 -8.793 12.081 -13.116 1.00 5.54 H new ATOM 87 N HIS A 2 -4.704 6.241 -13.245 1.00 1.52 N ATOM 88 CA HIS A 2 -3.679 5.202 -13.226 1.00 1.53 C ATOM 89 C HIS A 2 -2.944 5.164 -11.894 1.00 1.34 C ATOM 90 O HIS A 2 -1.754 5.463 -11.824 1.00 2.13 O ATOM 91 CB HIS A 2 -2.683 5.405 -14.378 1.00 1.86 C ATOM 92 CG HIS A 2 -3.299 5.276 -15.740 1.00 2.38 C ATOM 93 ND1 HIS A 2 -2.916 4.321 -16.657 1.00 2.75 N ATOM 94 CD2 HIS A 2 -4.280 5.992 -16.339 1.00 3.17 C ATOM 95 CE1 HIS A 2 -3.634 4.457 -17.756 1.00 3.57 C ATOM 96 NE2 HIS A 2 -4.469 5.463 -17.588 1.00 3.83 N ATOM 0 H HIS A 2 -4.424 7.095 -13.728 1.00 1.52 H new ATOM 0 HA HIS A 2 -4.181 4.244 -13.358 1.00 1.53 H new ATOM 0 HB2 HIS A 2 -2.231 6.393 -14.286 1.00 1.86 H new ATOM 0 HB3 HIS A 2 -1.878 4.676 -14.283 1.00 1.86 H new ATOM 0 HD2 HIS A 2 -4.815 6.827 -15.911 1.00 3.17 H new ATOM 0 HE1 HIS A 2 -3.551 3.847 -18.643 1.00 3.57 H new ATOM 0 HE2 HIS A 2 -5.146 5.794 -18.276 1.00 3.83 H new ATOM 105 N PHE A 3 -3.680 4.795 -10.845 1.00 1.08 N ATOM 106 CA PHE A 3 -3.123 4.586 -9.512 1.00 0.89 C ATOM 107 C PHE A 3 -2.434 5.841 -8.986 1.00 0.90 C ATOM 108 O PHE A 3 -1.222 6.015 -9.126 1.00 1.22 O ATOM 109 CB PHE A 3 -2.157 3.400 -9.521 1.00 0.94 C ATOM 110 CG PHE A 3 -2.767 2.159 -10.109 1.00 0.86 C ATOM 111 CD1 PHE A 3 -3.926 1.624 -9.574 1.00 0.90 C ATOM 112 CD2 PHE A 3 -2.187 1.538 -11.204 1.00 0.97 C ATOM 113 CE1 PHE A 3 -4.497 0.492 -10.119 1.00 0.97 C ATOM 114 CE2 PHE A 3 -2.752 0.404 -11.751 1.00 0.99 C ATOM 115 CZ PHE A 3 -3.911 -0.119 -11.209 1.00 0.96 C ATOM 0 H PHE A 3 -4.685 4.632 -10.899 1.00 1.08 H new ATOM 0 HA PHE A 3 -3.948 4.362 -8.836 1.00 0.89 H new ATOM 0 HB2 PHE A 3 -1.266 3.667 -10.090 1.00 0.94 H new ATOM 0 HB3 PHE A 3 -1.833 3.193 -8.501 1.00 0.94 H new ATOM 0 HD1 PHE A 3 -4.389 2.098 -8.721 1.00 0.90 H new ATOM 0 HD2 PHE A 3 -1.284 1.946 -11.633 1.00 0.97 H new ATOM 0 HE1 PHE A 3 -5.402 0.084 -9.693 1.00 0.97 H new ATOM 0 HE2 PHE A 3 -2.289 -0.074 -12.602 1.00 0.99 H new ATOM 0 HZ PHE A 3 -4.357 -1.004 -11.638 1.00 0.96 H new ATOM 125 N THR A 4 -3.213 6.700 -8.354 1.00 0.74 N ATOM 126 CA THR A 4 -2.691 7.946 -7.836 1.00 0.76 C ATOM 127 C THR A 4 -2.993 8.070 -6.351 1.00 0.71 C ATOM 128 O THR A 4 -3.930 7.450 -5.850 1.00 0.76 O ATOM 129 CB THR A 4 -3.241 9.169 -8.598 1.00 0.77 C ATOM 130 OG1 THR A 4 -4.672 9.109 -8.674 1.00 0.68 O ATOM 131 CG2 THR A 4 -2.654 9.241 -10.000 1.00 0.96 C ATOM 0 H THR A 4 -4.209 6.555 -8.188 1.00 0.74 H new ATOM 0 HA THR A 4 -1.611 7.930 -7.983 1.00 0.76 H new ATOM 0 HB THR A 4 -2.950 10.066 -8.051 1.00 0.77 H new ATOM 0 HG1 THR A 4 -4.983 8.255 -8.308 1.00 0.68 H new ATOM 0 HG21 THR A 4 -3.056 10.111 -10.519 1.00 0.96 H new ATOM 0 HG22 THR A 4 -1.569 9.326 -9.936 1.00 0.96 H new ATOM 0 HG23 THR A 4 -2.916 8.338 -10.551 1.00 0.96 H new ATOM 139 N LEU A 5 -2.190 8.832 -5.645 1.00 0.74 N ATOM 140 CA LEU A 5 -2.327 8.956 -4.205 1.00 0.77 C ATOM 141 C LEU A 5 -3.688 9.510 -3.768 1.00 0.67 C ATOM 142 O LEU A 5 -4.328 8.954 -2.873 1.00 0.73 O ATOM 143 CB LEU A 5 -1.210 9.853 -3.677 1.00 0.91 C ATOM 144 CG LEU A 5 -1.217 10.093 -2.170 1.00 1.02 C ATOM 145 CD1 LEU A 5 -0.957 8.801 -1.410 1.00 1.67 C ATOM 146 CD2 LEU A 5 -0.183 11.142 -1.812 1.00 1.67 C ATOM 0 H LEU A 5 -1.429 9.381 -6.044 1.00 0.74 H new ATOM 0 HA LEU A 5 -2.255 7.953 -3.785 1.00 0.77 H new ATOM 0 HB2 LEU A 5 -0.252 9.411 -3.953 1.00 0.91 H new ATOM 0 HB3 LEU A 5 -1.273 10.817 -4.181 1.00 0.91 H new ATOM 0 HG LEU A 5 -2.204 10.455 -1.880 1.00 1.02 H new ATOM 0 HD11 LEU A 5 -0.967 9.001 -0.339 1.00 1.67 H new ATOM 0 HD12 LEU A 5 -1.733 8.075 -1.651 1.00 1.67 H new ATOM 0 HD13 LEU A 5 0.016 8.401 -1.695 1.00 1.67 H new ATOM 0 HD21 LEU A 5 -0.192 11.309 -0.735 1.00 1.67 H new ATOM 0 HD22 LEU A 5 0.805 10.798 -2.117 1.00 1.67 H new ATOM 0 HD23 LEU A 5 -0.417 12.074 -2.326 1.00 1.67 H new ATOM 158 N GLU A 6 -4.146 10.571 -4.434 1.00 0.60 N ATOM 159 CA GLU A 6 -5.518 11.058 -4.247 1.00 0.58 C ATOM 160 C GLU A 6 -6.506 9.929 -4.538 1.00 0.59 C ATOM 161 O GLU A 6 -7.430 9.743 -3.746 1.00 0.61 O ATOM 162 CB GLU A 6 -5.797 12.250 -5.162 1.00 0.62 C ATOM 163 CG GLU A 6 -4.873 13.430 -4.920 1.00 0.87 C ATOM 164 CD GLU A 6 -5.101 14.555 -5.901 1.00 1.35 C ATOM 165 OE1 GLU A 6 -6.003 15.386 -5.659 1.00 1.68 O ATOM 166 OE2 GLU A 6 -4.382 14.614 -6.921 1.00 1.80 O ATOM 0 H GLU A 6 -3.594 11.108 -5.103 1.00 0.60 H new ATOM 0 HA GLU A 6 -5.637 11.386 -3.214 1.00 0.58 H new ATOM 0 HB2 GLU A 6 -5.701 11.931 -6.200 1.00 0.62 H new ATOM 0 HB3 GLU A 6 -6.829 12.572 -5.021 1.00 0.62 H new ATOM 0 HG2 GLU A 6 -5.021 13.801 -3.906 1.00 0.87 H new ATOM 0 HG3 GLU A 6 -3.838 13.096 -4.989 1.00 0.87 H new ATOM 173 N SER A 7 -6.359 9.177 -5.622 1.00 0.59 N ATOM 174 CA SER A 7 -7.430 8.264 -6.027 1.00 0.63 C ATOM 175 C SER A 7 -7.667 7.132 -5.018 1.00 0.62 C ATOM 176 O SER A 7 -8.627 6.368 -5.166 1.00 0.78 O ATOM 177 CB SER A 7 -7.188 7.701 -7.435 1.00 0.67 C ATOM 178 OG SER A 7 -5.968 6.989 -7.523 1.00 1.14 O ATOM 0 H SER A 7 -5.535 9.176 -6.224 1.00 0.59 H new ATOM 0 HA SER A 7 -8.342 8.861 -6.048 1.00 0.63 H new ATOM 0 HB2 SER A 7 -8.012 7.042 -7.708 1.00 0.67 H new ATOM 0 HB3 SER A 7 -7.182 8.519 -8.156 1.00 0.67 H new ATOM 0 HG SER A 7 -5.437 7.148 -6.715 1.00 1.14 H new ATOM 184 N SER A 8 -6.819 7.008 -3.998 1.00 0.53 N ATOM 185 CA SER A 8 -7.035 6.013 -2.956 1.00 0.52 C ATOM 186 C SER A 8 -7.673 6.571 -1.678 1.00 0.48 C ATOM 187 O SER A 8 -8.181 5.805 -0.867 1.00 0.48 O ATOM 188 CB SER A 8 -5.749 5.277 -2.611 1.00 0.57 C ATOM 189 OG SER A 8 -5.169 4.700 -3.769 1.00 1.02 O ATOM 0 H SER A 8 -5.984 7.580 -3.874 1.00 0.53 H new ATOM 0 HA SER A 8 -7.753 5.313 -3.385 1.00 0.52 H new ATOM 0 HB2 SER A 8 -5.042 5.968 -2.151 1.00 0.57 H new ATOM 0 HB3 SER A 8 -5.957 4.498 -1.877 1.00 0.57 H new ATOM 0 HG SER A 8 -4.343 4.234 -3.523 1.00 1.02 H new ATOM 195 N LEU A 9 -7.582 7.887 -1.465 1.00 0.47 N ATOM 196 CA LEU A 9 -7.772 8.474 -0.137 1.00 0.46 C ATOM 197 C LEU A 9 -9.108 8.194 0.559 1.00 0.46 C ATOM 198 O LEU A 9 -9.209 8.175 1.785 1.00 0.42 O ATOM 199 CB LEU A 9 -7.533 9.965 -0.211 1.00 0.49 C ATOM 200 CG LEU A 9 -6.129 10.346 -0.653 1.00 0.49 C ATOM 201 CD1 LEU A 9 -6.095 11.813 -0.985 1.00 1.04 C ATOM 202 CD2 LEU A 9 -5.106 10.001 0.420 1.00 0.78 C ATOM 0 H LEU A 9 -7.377 8.567 -2.198 1.00 0.47 H new ATOM 0 HA LEU A 9 -7.039 7.969 0.492 1.00 0.46 H new ATOM 0 HB2 LEU A 9 -8.252 10.404 -0.903 1.00 0.49 H new ATOM 0 HB3 LEU A 9 -7.725 10.402 0.769 1.00 0.49 H new ATOM 0 HG LEU A 9 -5.866 9.774 -1.543 1.00 0.49 H new ATOM 0 HD11 LEU A 9 -5.090 12.091 -1.303 1.00 1.04 H new ATOM 0 HD12 LEU A 9 -6.800 12.020 -1.790 1.00 1.04 H new ATOM 0 HD13 LEU A 9 -6.370 12.392 -0.103 1.00 1.04 H new ATOM 0 HD21 LEU A 9 -4.110 10.284 0.078 1.00 0.78 H new ATOM 0 HD22 LEU A 9 -5.343 10.543 1.336 1.00 0.78 H new ATOM 0 HD23 LEU A 9 -5.131 8.929 0.616 1.00 0.78 H new ATOM 214 N ASP A 10 -10.120 8.003 -0.273 1.00 0.51 N ATOM 215 CA ASP A 10 -11.456 7.660 0.214 1.00 0.53 C ATOM 216 C ASP A 10 -11.730 6.183 0.017 1.00 0.54 C ATOM 217 O ASP A 10 -12.816 5.694 0.328 1.00 0.57 O ATOM 218 CB ASP A 10 -12.522 8.484 -0.512 1.00 0.57 C ATOM 219 CG ASP A 10 -12.393 9.972 -0.256 1.00 0.78 C ATOM 220 OD1 ASP A 10 -12.801 10.432 0.832 1.00 0.77 O ATOM 221 OD2 ASP A 10 -11.886 10.692 -1.144 1.00 1.32 O ATOM 0 H ASP A 10 -10.047 8.078 -1.288 1.00 0.51 H new ATOM 0 HA ASP A 10 -11.497 7.889 1.279 1.00 0.53 H new ATOM 0 HB2 ASP A 10 -12.451 8.297 -1.584 1.00 0.57 H new ATOM 0 HB3 ASP A 10 -13.510 8.150 -0.195 1.00 0.57 H new ATOM 226 N THR A 11 -10.751 5.473 -0.500 1.00 0.54 N ATOM 227 CA THR A 11 -10.894 4.053 -0.715 1.00 0.56 C ATOM 228 C THR A 11 -9.784 3.261 -0.019 1.00 0.53 C ATOM 229 O THR A 11 -9.839 3.016 1.185 1.00 0.53 O ATOM 230 CB THR A 11 -10.935 3.709 -2.220 1.00 0.62 C ATOM 231 OG1 THR A 11 -9.814 4.298 -2.896 1.00 0.59 O ATOM 232 CG2 THR A 11 -12.230 4.203 -2.853 1.00 0.69 C ATOM 0 H THR A 11 -9.848 5.857 -0.779 1.00 0.54 H new ATOM 0 HA THR A 11 -11.846 3.762 -0.272 1.00 0.56 H new ATOM 0 HB THR A 11 -10.887 2.625 -2.320 1.00 0.62 H new ATOM 0 HG1 THR A 11 -9.851 4.072 -3.849 1.00 0.59 H new ATOM 0 HG21 THR A 11 -12.237 3.950 -3.913 1.00 0.69 H new ATOM 0 HG22 THR A 11 -13.079 3.729 -2.361 1.00 0.69 H new ATOM 0 HG23 THR A 11 -12.302 5.285 -2.738 1.00 0.69 H new ATOM 240 N HIS A 12 -8.766 2.894 -0.793 1.00 0.51 N ATOM 241 CA HIS A 12 -7.672 2.068 -0.283 1.00 0.49 C ATOM 242 C HIS A 12 -6.947 2.748 0.881 1.00 0.43 C ATOM 243 O HIS A 12 -6.557 2.087 1.840 1.00 0.43 O ATOM 244 CB HIS A 12 -6.698 1.691 -1.401 1.00 0.49 C ATOM 245 CG HIS A 12 -7.370 1.039 -2.569 1.00 0.57 C ATOM 246 ND1 HIS A 12 -8.005 -0.183 -2.491 1.00 1.50 N ATOM 247 CD2 HIS A 12 -7.533 1.461 -3.847 1.00 0.90 C ATOM 248 CE1 HIS A 12 -8.524 -0.481 -3.668 1.00 1.34 C ATOM 249 NE2 HIS A 12 -8.255 0.500 -4.508 1.00 0.66 N ATOM 0 H HIS A 12 -8.675 3.155 -1.775 1.00 0.51 H new ATOM 0 HA HIS A 12 -8.110 1.147 0.102 1.00 0.49 H new ATOM 0 HB2 HIS A 12 -6.180 2.588 -1.741 1.00 0.49 H new ATOM 0 HB3 HIS A 12 -5.940 1.017 -1.003 1.00 0.49 H new ATOM 0 HD1 HIS A 12 -8.064 -0.765 -1.655 1.00 1.50 H new ATOM 0 HD2 HIS A 12 -7.162 2.384 -4.267 1.00 0.90 H new ATOM 0 HE1 HIS A 12 -9.077 -1.378 -3.904 1.00 1.34 H new ATOM 258 N LEU A 13 -6.764 4.056 0.804 1.00 0.40 N ATOM 259 CA LEU A 13 -5.921 4.748 1.767 1.00 0.36 C ATOM 260 C LEU A 13 -6.734 5.594 2.745 1.00 0.34 C ATOM 261 O LEU A 13 -6.249 6.569 3.321 1.00 0.32 O ATOM 262 CB LEU A 13 -4.883 5.617 1.046 1.00 0.34 C ATOM 263 CG LEU A 13 -3.553 4.918 0.709 1.00 0.38 C ATOM 264 CD1 LEU A 13 -2.923 4.321 1.955 1.00 1.13 C ATOM 265 CD2 LEU A 13 -3.744 3.837 -0.344 1.00 0.84 C ATOM 0 H LEU A 13 -7.183 4.655 0.093 1.00 0.40 H new ATOM 0 HA LEU A 13 -5.406 3.984 2.349 1.00 0.36 H new ATOM 0 HB2 LEU A 13 -5.324 5.986 0.120 1.00 0.34 H new ATOM 0 HB3 LEU A 13 -4.669 6.487 1.667 1.00 0.34 H new ATOM 0 HG LEU A 13 -2.883 5.676 0.304 1.00 0.38 H new ATOM 0 HD11 LEU A 13 -1.985 3.833 1.690 1.00 1.13 H new ATOM 0 HD12 LEU A 13 -2.729 5.112 2.679 1.00 1.13 H new ATOM 0 HD13 LEU A 13 -3.602 3.589 2.391 1.00 1.13 H new ATOM 0 HD21 LEU A 13 -2.786 3.364 -0.558 1.00 0.84 H new ATOM 0 HD22 LEU A 13 -4.444 3.088 0.027 1.00 0.84 H new ATOM 0 HD23 LEU A 13 -4.140 4.283 -1.256 1.00 0.84 H new ATOM 277 N LYS A 14 -7.988 5.190 2.923 1.00 0.38 N ATOM 278 CA LYS A 14 -8.940 5.933 3.739 1.00 0.38 C ATOM 279 C LYS A 14 -8.632 5.808 5.232 1.00 0.35 C ATOM 280 O LYS A 14 -9.089 6.615 6.039 1.00 0.36 O ATOM 281 CB LYS A 14 -10.369 5.456 3.446 1.00 0.45 C ATOM 282 CG LYS A 14 -10.735 4.128 4.091 1.00 0.64 C ATOM 283 CD LYS A 14 -12.068 3.595 3.576 1.00 0.67 C ATOM 284 CE LYS A 14 -13.194 4.613 3.720 1.00 1.26 C ATOM 285 NZ LYS A 14 -13.488 4.944 5.141 1.00 1.69 N ATOM 0 H LYS A 14 -8.371 4.341 2.507 1.00 0.38 H new ATOM 0 HA LYS A 14 -8.851 6.987 3.476 1.00 0.38 H new ATOM 0 HB2 LYS A 14 -11.070 6.217 3.788 1.00 0.45 H new ATOM 0 HB3 LYS A 14 -10.495 5.368 2.367 1.00 0.45 H new ATOM 0 HG2 LYS A 14 -9.950 3.398 3.891 1.00 0.64 H new ATOM 0 HG3 LYS A 14 -10.787 4.252 5.173 1.00 0.64 H new ATOM 0 HD2 LYS A 14 -11.965 3.317 2.527 1.00 0.67 H new ATOM 0 HD3 LYS A 14 -12.329 2.688 4.122 1.00 0.67 H new ATOM 0 HE2 LYS A 14 -12.925 5.525 3.187 1.00 1.26 H new ATOM 0 HE3 LYS A 14 -14.095 4.222 3.248 1.00 1.26 H new ATOM 0 HZ1 LYS A 14 -14.260 5.639 5.183 1.00 1.69 H new ATOM 0 HZ2 LYS A 14 -13.772 4.081 5.647 1.00 1.69 H new ATOM 0 HZ3 LYS A 14 -12.638 5.343 5.587 1.00 1.69 H new ATOM 299 N TRP A 15 -7.841 4.801 5.586 1.00 0.34 N ATOM 300 CA TRP A 15 -7.481 4.554 6.983 1.00 0.33 C ATOM 301 C TRP A 15 -6.429 5.549 7.468 1.00 0.29 C ATOM 302 O TRP A 15 -6.061 5.554 8.641 1.00 0.29 O ATOM 303 CB TRP A 15 -6.945 3.132 7.145 1.00 0.35 C ATOM 304 CG TRP A 15 -5.762 2.861 6.272 1.00 0.33 C ATOM 305 CD1 TRP A 15 -5.792 2.445 4.978 1.00 0.34 C ATOM 306 CD2 TRP A 15 -4.378 3.002 6.622 1.00 0.30 C ATOM 307 NE1 TRP A 15 -4.516 2.321 4.493 1.00 0.33 N ATOM 308 CE2 TRP A 15 -3.628 2.651 5.485 1.00 0.30 C ATOM 309 CE3 TRP A 15 -3.701 3.385 7.783 1.00 0.30 C ATOM 310 CZ2 TRP A 15 -2.234 2.679 5.473 1.00 0.30 C ATOM 311 CZ3 TRP A 15 -2.319 3.412 7.771 1.00 0.30 C ATOM 312 CH2 TRP A 15 -1.599 3.058 6.624 1.00 0.30 C ATOM 0 H TRP A 15 -7.434 4.139 4.925 1.00 0.34 H new ATOM 0 HA TRP A 15 -8.381 4.679 7.585 1.00 0.33 H new ATOM 0 HB2 TRP A 15 -6.668 2.968 8.187 1.00 0.35 H new ATOM 0 HB3 TRP A 15 -7.736 2.420 6.910 1.00 0.35 H new ATOM 0 HD1 TRP A 15 -6.690 2.242 4.414 1.00 0.34 H new ATOM 0 HE1 TRP A 15 -4.267 2.030 3.547 1.00 0.33 H new ATOM 0 HE3 TRP A 15 -4.248 3.655 8.674 1.00 0.30 H new ATOM 0 HZ2 TRP A 15 -1.676 2.411 4.588 1.00 0.30 H new ATOM 0 HZ3 TRP A 15 -1.786 3.711 8.661 1.00 0.30 H new ATOM 0 HH2 TRP A 15 -0.520 3.085 6.648 1.00 0.30 H new ATOM 323 N LEU A 16 -5.945 6.383 6.564 1.00 0.28 N ATOM 324 CA LEU A 16 -5.053 7.462 6.932 1.00 0.26 C ATOM 325 C LEU A 16 -5.861 8.620 7.507 1.00 0.27 C ATOM 326 O LEU A 16 -7.029 8.827 7.163 1.00 0.31 O ATOM 327 CB LEU A 16 -4.263 7.944 5.712 1.00 0.25 C ATOM 328 CG LEU A 16 -3.256 6.949 5.130 1.00 0.26 C ATOM 329 CD1 LEU A 16 -2.818 7.407 3.755 1.00 0.26 C ATOM 330 CD2 LEU A 16 -2.038 6.810 6.038 1.00 0.30 C ATOM 0 H LEU A 16 -6.157 6.331 5.568 1.00 0.28 H new ATOM 0 HA LEU A 16 -4.352 7.096 7.682 1.00 0.26 H new ATOM 0 HB2 LEU A 16 -4.971 8.214 4.929 1.00 0.25 H new ATOM 0 HB3 LEU A 16 -3.728 8.854 5.986 1.00 0.25 H new ATOM 0 HG LEU A 16 -3.741 5.976 5.054 1.00 0.26 H new ATOM 0 HD11 LEU A 16 -2.101 6.695 3.346 1.00 0.26 H new ATOM 0 HD12 LEU A 16 -3.686 7.467 3.098 1.00 0.26 H new ATOM 0 HD13 LEU A 16 -2.351 8.389 3.830 1.00 0.26 H new ATOM 0 HD21 LEU A 16 -1.338 6.097 5.602 1.00 0.30 H new ATOM 0 HD22 LEU A 16 -1.550 7.779 6.144 1.00 0.30 H new ATOM 0 HD23 LEU A 16 -2.354 6.454 7.019 1.00 0.30 H new ATOM 342 N SER A 17 -5.207 9.365 8.373 1.00 0.27 N ATOM 343 CA SER A 17 -5.813 10.556 8.938 1.00 0.30 C ATOM 344 C SER A 17 -5.687 11.708 7.953 1.00 0.33 C ATOM 345 O SER A 17 -4.849 11.649 7.050 1.00 0.34 O ATOM 346 CB SER A 17 -5.156 10.908 10.271 1.00 0.31 C ATOM 347 OG SER A 17 -5.148 9.789 11.140 1.00 1.24 O ATOM 0 H SER A 17 -4.261 9.170 8.701 1.00 0.27 H new ATOM 0 HA SER A 17 -6.870 10.366 9.125 1.00 0.30 H new ATOM 0 HB2 SER A 17 -4.135 11.248 10.099 1.00 0.31 H new ATOM 0 HB3 SER A 17 -5.692 11.733 10.739 1.00 0.31 H new ATOM 0 HG SER A 17 -4.464 9.151 10.846 1.00 1.24 H new ATOM 353 N GLN A 18 -6.507 12.741 8.104 1.00 0.36 N ATOM 354 CA GLN A 18 -6.458 13.884 7.197 1.00 0.41 C ATOM 355 C GLN A 18 -5.039 14.440 7.147 1.00 0.41 C ATOM 356 O GLN A 18 -4.510 14.712 6.070 1.00 0.42 O ATOM 357 CB GLN A 18 -7.470 14.957 7.627 1.00 0.47 C ATOM 358 CG GLN A 18 -7.503 16.192 6.735 1.00 1.19 C ATOM 359 CD GLN A 18 -6.425 17.203 7.079 1.00 1.41 C ATOM 360 OE1 GLN A 18 -6.007 17.319 8.233 1.00 1.90 O ATOM 361 NE2 GLN A 18 -5.969 17.945 6.086 1.00 1.91 N ATOM 0 H GLN A 18 -7.210 12.812 8.840 1.00 0.36 H new ATOM 0 HA GLN A 18 -6.733 13.560 6.193 1.00 0.41 H new ATOM 0 HB2 GLN A 18 -8.465 14.512 7.646 1.00 0.47 H new ATOM 0 HB3 GLN A 18 -7.240 15.267 8.646 1.00 0.47 H new ATOM 0 HG2 GLN A 18 -7.387 15.885 5.695 1.00 1.19 H new ATOM 0 HG3 GLN A 18 -8.480 16.668 6.820 1.00 1.19 H new ATOM 0 HE21 GLN A 18 -6.340 17.820 5.144 1.00 1.91 H new ATOM 0 HE22 GLN A 18 -5.246 18.643 6.261 1.00 1.91 H new ATOM 370 N GLU A 19 -4.430 14.572 8.318 1.00 0.41 N ATOM 371 CA GLU A 19 -3.113 15.105 8.445 1.00 0.42 C ATOM 372 C GLU A 19 -2.123 14.258 7.636 1.00 0.40 C ATOM 373 O GLU A 19 -1.240 14.795 6.976 1.00 0.42 O ATOM 374 CB GLU A 19 -2.794 15.117 9.928 1.00 0.41 C ATOM 375 CG GLU A 19 -1.336 15.153 10.227 1.00 1.18 C ATOM 376 CD GLU A 19 -0.744 16.541 10.106 1.00 1.79 C ATOM 377 OE1 GLU A 19 -1.015 17.394 10.975 1.00 2.49 O ATOM 378 OE2 GLU A 19 0.002 16.785 9.132 1.00 2.01 O ATOM 0 H GLU A 19 -4.855 14.304 9.206 1.00 0.41 H new ATOM 0 HA GLU A 19 -3.039 16.117 8.047 1.00 0.42 H new ATOM 0 HB2 GLU A 19 -3.271 15.983 10.386 1.00 0.41 H new ATOM 0 HB3 GLU A 19 -3.229 14.231 10.391 1.00 0.41 H new ATOM 0 HG2 GLU A 19 -1.168 14.779 11.237 1.00 1.18 H new ATOM 0 HG3 GLU A 19 -0.814 14.480 9.547 1.00 1.18 H new ATOM 385 N GLN A 20 -2.302 12.939 7.659 1.00 0.37 N ATOM 386 CA GLN A 20 -1.431 12.039 6.909 1.00 0.36 C ATOM 387 C GLN A 20 -1.679 12.221 5.418 1.00 0.38 C ATOM 388 O GLN A 20 -0.740 12.303 4.638 1.00 0.41 O ATOM 389 CB GLN A 20 -1.680 10.586 7.323 1.00 0.33 C ATOM 390 CG GLN A 20 -1.457 10.338 8.805 1.00 0.37 C ATOM 391 CD GLN A 20 -1.812 8.927 9.226 1.00 0.77 C ATOM 392 OE1 GLN A 20 -2.950 8.645 9.580 1.00 1.57 O ATOM 393 NE2 GLN A 20 -0.843 8.037 9.202 1.00 1.04 N ATOM 0 H GLN A 20 -3.039 12.472 8.187 1.00 0.37 H new ATOM 0 HA GLN A 20 -0.391 12.279 7.129 1.00 0.36 H new ATOM 0 HB2 GLN A 20 -2.703 10.312 7.066 1.00 0.33 H new ATOM 0 HB3 GLN A 20 -1.022 9.934 6.749 1.00 0.33 H new ATOM 0 HG2 GLN A 20 -0.412 10.532 9.048 1.00 0.37 H new ATOM 0 HG3 GLN A 20 -2.055 11.045 9.381 1.00 0.37 H new ATOM 0 HE21 GLN A 20 0.093 8.310 8.901 1.00 1.04 H new ATOM 0 HE22 GLN A 20 -1.028 7.074 9.484 1.00 1.04 H new ATOM 402 N LYS A 21 -2.945 12.291 5.029 1.00 0.38 N ATOM 403 CA LYS A 21 -3.305 12.462 3.626 1.00 0.42 C ATOM 404 C LYS A 21 -2.751 13.781 3.094 1.00 0.42 C ATOM 405 O LYS A 21 -2.142 13.831 2.031 1.00 0.43 O ATOM 406 CB LYS A 21 -4.822 12.422 3.460 1.00 0.47 C ATOM 407 CG LYS A 21 -5.442 11.107 3.904 1.00 0.56 C ATOM 408 CD LYS A 21 -6.955 11.137 3.793 1.00 0.54 C ATOM 409 CE LYS A 21 -7.562 9.796 4.167 1.00 0.57 C ATOM 410 NZ LYS A 21 -9.047 9.839 4.165 1.00 0.95 N ATOM 0 H LYS A 21 -3.741 12.232 5.665 1.00 0.38 H new ATOM 0 HA LYS A 21 -2.869 11.644 3.053 1.00 0.42 H new ATOM 0 HB2 LYS A 21 -5.265 13.236 4.034 1.00 0.47 H new ATOM 0 HB3 LYS A 21 -5.071 12.598 2.413 1.00 0.47 H new ATOM 0 HG2 LYS A 21 -5.048 10.294 3.294 1.00 0.56 H new ATOM 0 HG3 LYS A 21 -5.156 10.899 4.935 1.00 0.56 H new ATOM 0 HD2 LYS A 21 -7.354 11.914 4.445 1.00 0.54 H new ATOM 0 HD3 LYS A 21 -7.242 11.397 2.774 1.00 0.54 H new ATOM 0 HE2 LYS A 21 -7.220 9.035 3.466 1.00 0.57 H new ATOM 0 HE3 LYS A 21 -7.209 9.501 5.155 1.00 0.57 H new ATOM 0 HZ1 LYS A 21 -9.407 9.442 5.056 1.00 0.95 H new ATOM 0 HZ2 LYS A 21 -9.366 10.825 4.072 1.00 0.95 H new ATOM 0 HZ3 LYS A 21 -9.409 9.281 3.366 1.00 0.95 H new ATOM 424 N ASP A 22 -2.955 14.833 3.869 1.00 0.44 N ATOM 425 CA ASP A 22 -2.472 16.168 3.532 1.00 0.46 C ATOM 426 C ASP A 22 -0.948 16.220 3.541 1.00 0.46 C ATOM 427 O ASP A 22 -0.354 16.977 2.770 1.00 0.48 O ATOM 428 CB ASP A 22 -3.012 17.166 4.561 1.00 0.49 C ATOM 429 CG ASP A 22 -2.616 18.596 4.265 1.00 0.58 C ATOM 430 OD1 ASP A 22 -3.374 19.287 3.550 1.00 0.67 O ATOM 431 OD2 ASP A 22 -1.557 19.038 4.760 1.00 0.64 O ATOM 0 H ASP A 22 -3.462 14.788 4.753 1.00 0.44 H new ATOM 0 HA ASP A 22 -2.820 16.421 2.530 1.00 0.46 H new ATOM 0 HB2 ASP A 22 -4.099 17.095 4.591 1.00 0.49 H new ATOM 0 HB3 ASP A 22 -2.647 16.892 5.551 1.00 0.49 H new ATOM 436 N GLU A 23 -0.313 15.413 4.369 1.00 0.44 N ATOM 437 CA GLU A 23 1.125 15.309 4.359 1.00 0.45 C ATOM 438 C GLU A 23 1.607 14.533 3.132 1.00 0.42 C ATOM 439 O GLU A 23 2.527 14.980 2.445 1.00 0.44 O ATOM 440 CB GLU A 23 1.595 14.664 5.662 1.00 0.47 C ATOM 441 CG GLU A 23 2.769 13.735 5.493 1.00 0.71 C ATOM 442 CD GLU A 23 3.304 13.242 6.813 1.00 0.97 C ATOM 443 OE1 GLU A 23 2.602 12.457 7.483 1.00 1.43 O ATOM 444 OE2 GLU A 23 4.428 13.640 7.189 1.00 1.40 O ATOM 0 H GLU A 23 -0.776 14.820 5.058 1.00 0.44 H new ATOM 0 HA GLU A 23 1.561 16.306 4.292 1.00 0.45 H new ATOM 0 HB2 GLU A 23 1.864 15.449 6.369 1.00 0.47 H new ATOM 0 HB3 GLU A 23 0.766 14.110 6.102 1.00 0.47 H new ATOM 0 HG2 GLU A 23 2.470 12.882 4.884 1.00 0.71 H new ATOM 0 HG3 GLU A 23 3.562 14.251 4.952 1.00 0.71 H new ATOM 451 N LEU A 24 0.981 13.399 2.827 1.00 0.40 N ATOM 452 CA LEU A 24 1.380 12.597 1.679 1.00 0.39 C ATOM 453 C LEU A 24 1.119 13.359 0.383 1.00 0.39 C ATOM 454 O LEU A 24 1.904 13.279 -0.565 1.00 0.41 O ATOM 455 CB LEU A 24 0.625 11.263 1.672 1.00 0.38 C ATOM 456 CG LEU A 24 0.851 10.373 2.897 1.00 0.50 C ATOM 457 CD1 LEU A 24 -0.211 9.303 2.980 1.00 1.16 C ATOM 458 CD2 LEU A 24 2.229 9.735 2.870 1.00 1.33 C ATOM 0 H LEU A 24 0.198 13.018 3.358 1.00 0.40 H new ATOM 0 HA LEU A 24 2.448 12.392 1.754 1.00 0.39 H new ATOM 0 HB2 LEU A 24 -0.442 11.469 1.586 1.00 0.38 H new ATOM 0 HB3 LEU A 24 0.915 10.706 0.781 1.00 0.38 H new ATOM 0 HG LEU A 24 0.786 11.007 3.781 1.00 0.50 H new ATOM 0 HD11 LEU A 24 -0.033 8.681 3.857 1.00 1.16 H new ATOM 0 HD12 LEU A 24 -1.193 9.770 3.060 1.00 1.16 H new ATOM 0 HD13 LEU A 24 -0.175 8.684 2.083 1.00 1.16 H new ATOM 0 HD21 LEU A 24 2.358 9.110 3.753 1.00 1.33 H new ATOM 0 HD22 LEU A 24 2.329 9.122 1.974 1.00 1.33 H new ATOM 0 HD23 LEU A 24 2.991 10.515 2.863 1.00 1.33 H new ATOM 470 N LEU A 25 0.015 14.106 0.347 1.00 0.40 N ATOM 471 CA LEU A 25 -0.297 14.954 -0.793 1.00 0.43 C ATOM 472 C LEU A 25 0.768 16.026 -0.958 1.00 0.46 C ATOM 473 O LEU A 25 1.151 16.365 -2.073 1.00 0.48 O ATOM 474 CB LEU A 25 -1.674 15.600 -0.630 1.00 0.45 C ATOM 475 CG LEU A 25 -2.865 14.647 -0.754 1.00 0.49 C ATOM 476 CD1 LEU A 25 -4.170 15.394 -0.538 1.00 1.02 C ATOM 477 CD2 LEU A 25 -2.859 13.965 -2.113 1.00 1.06 C ATOM 0 H LEU A 25 -0.676 14.138 1.097 1.00 0.40 H new ATOM 0 HA LEU A 25 -0.314 14.331 -1.687 1.00 0.43 H new ATOM 0 HB2 LEU A 25 -1.717 16.083 0.346 1.00 0.45 H new ATOM 0 HB3 LEU A 25 -1.779 16.385 -1.379 1.00 0.45 H new ATOM 0 HG LEU A 25 -2.777 13.881 0.017 1.00 0.49 H new ATOM 0 HD11 LEU A 25 -5.006 14.700 -0.630 1.00 1.02 H new ATOM 0 HD12 LEU A 25 -4.175 15.838 0.457 1.00 1.02 H new ATOM 0 HD13 LEU A 25 -4.267 16.180 -1.286 1.00 1.02 H new ATOM 0 HD21 LEU A 25 -3.712 13.291 -2.185 1.00 1.06 H new ATOM 0 HD22 LEU A 25 -2.924 14.718 -2.898 1.00 1.06 H new ATOM 0 HD23 LEU A 25 -1.936 13.397 -2.231 1.00 1.06 H new ATOM 489 N LYS A 26 1.264 16.528 0.164 1.00 0.47 N ATOM 490 CA LYS A 26 2.309 17.539 0.151 1.00 0.51 C ATOM 491 C LYS A 26 3.594 16.912 -0.370 1.00 0.49 C ATOM 492 O LYS A 26 4.324 17.526 -1.142 1.00 0.51 O ATOM 493 CB LYS A 26 2.501 18.124 1.557 1.00 0.56 C ATOM 494 CG LYS A 26 2.983 19.570 1.570 1.00 0.93 C ATOM 495 CD LYS A 26 4.485 19.691 1.353 1.00 1.62 C ATOM 496 CE LYS A 26 5.263 19.127 2.531 1.00 2.50 C ATOM 497 NZ LYS A 26 6.705 19.478 2.465 1.00 3.24 N ATOM 0 H LYS A 26 0.958 16.250 1.096 1.00 0.47 H new ATOM 0 HA LYS A 26 2.025 18.360 -0.508 1.00 0.51 H new ATOM 0 HB2 LYS A 26 1.556 18.063 2.096 1.00 0.56 H new ATOM 0 HB3 LYS A 26 3.218 17.508 2.100 1.00 0.56 H new ATOM 0 HG2 LYS A 26 2.462 20.129 0.793 1.00 0.93 H new ATOM 0 HG3 LYS A 26 2.720 20.028 2.524 1.00 0.93 H new ATOM 0 HD2 LYS A 26 4.766 19.162 0.442 1.00 1.62 H new ATOM 0 HD3 LYS A 26 4.750 20.738 1.208 1.00 1.62 H new ATOM 0 HE2 LYS A 26 4.840 19.507 3.461 1.00 2.50 H new ATOM 0 HE3 LYS A 26 5.154 18.043 2.551 1.00 2.50 H new ATOM 0 HZ1 LYS A 26 7.199 19.074 3.287 1.00 3.24 H new ATOM 0 HZ2 LYS A 26 7.116 19.093 1.591 1.00 3.24 H new ATOM 0 HZ3 LYS A 26 6.811 20.513 2.472 1.00 3.24 H new ATOM 511 N MET A 27 3.855 15.680 0.054 1.00 0.47 N ATOM 512 CA MET A 27 4.996 14.927 -0.449 1.00 0.47 C ATOM 513 C MET A 27 4.938 14.764 -1.967 1.00 0.47 C ATOM 514 O MET A 27 5.875 15.134 -2.674 1.00 0.49 O ATOM 515 CB MET A 27 5.068 13.551 0.215 1.00 0.49 C ATOM 516 CG MET A 27 5.297 13.599 1.718 1.00 0.50 C ATOM 517 SD MET A 27 5.328 11.959 2.467 1.00 0.92 S ATOM 518 CE MET A 27 6.627 11.179 1.512 1.00 0.79 C ATOM 0 H MET A 27 3.292 15.183 0.744 1.00 0.47 H new ATOM 0 HA MET A 27 5.893 15.494 -0.201 1.00 0.47 H new ATOM 0 HB2 MET A 27 4.140 13.014 0.016 1.00 0.49 H new ATOM 0 HB3 MET A 27 5.872 12.978 -0.246 1.00 0.49 H new ATOM 0 HG2 MET A 27 6.240 14.106 1.922 1.00 0.50 H new ATOM 0 HG3 MET A 27 4.510 14.192 2.183 1.00 0.50 H new ATOM 0 HE1 MET A 27 7.132 10.433 2.126 1.00 0.79 H new ATOM 0 HE2 MET A 27 6.194 10.696 0.636 1.00 0.79 H new ATOM 0 HE3 MET A 27 7.346 11.933 1.192 1.00 0.79 H new ATOM 528 N LYS A 28 3.830 14.213 -2.460 1.00 0.45 N ATOM 529 CA LYS A 28 3.642 13.965 -3.889 1.00 0.49 C ATOM 530 C LYS A 28 3.774 15.259 -4.697 1.00 0.54 C ATOM 531 O LYS A 28 4.387 15.277 -5.768 1.00 0.58 O ATOM 532 CB LYS A 28 2.259 13.341 -4.121 1.00 0.50 C ATOM 533 CG LYS A 28 1.955 13.011 -5.576 1.00 0.79 C ATOM 534 CD LYS A 28 2.750 11.811 -6.073 1.00 1.41 C ATOM 535 CE LYS A 28 2.306 10.519 -5.396 1.00 1.82 C ATOM 536 NZ LYS A 28 2.991 9.327 -5.962 1.00 2.44 N ATOM 0 H LYS A 28 3.040 13.927 -1.883 1.00 0.45 H new ATOM 0 HA LYS A 28 4.418 13.278 -4.226 1.00 0.49 H new ATOM 0 HB2 LYS A 28 2.182 12.428 -3.530 1.00 0.50 H new ATOM 0 HB3 LYS A 28 1.497 14.027 -3.750 1.00 0.50 H new ATOM 0 HG2 LYS A 28 0.889 12.809 -5.686 1.00 0.79 H new ATOM 0 HG3 LYS A 28 2.181 13.877 -6.198 1.00 0.79 H new ATOM 0 HD2 LYS A 28 2.629 11.716 -7.152 1.00 1.41 H new ATOM 0 HD3 LYS A 28 3.811 11.974 -5.884 1.00 1.41 H new ATOM 0 HE2 LYS A 28 2.511 10.581 -4.327 1.00 1.82 H new ATOM 0 HE3 LYS A 28 1.228 10.404 -5.507 1.00 1.82 H new ATOM 0 HZ1 LYS A 28 2.659 8.471 -5.473 1.00 2.44 H new ATOM 0 HZ2 LYS A 28 2.775 9.252 -6.977 1.00 2.44 H new ATOM 0 HZ3 LYS A 28 4.018 9.423 -5.833 1.00 2.44 H new ATOM 550 N LYS A 29 3.209 16.335 -4.167 1.00 0.55 N ATOM 551 CA LYS A 29 3.234 17.627 -4.846 1.00 0.62 C ATOM 552 C LYS A 29 4.589 18.320 -4.732 1.00 0.64 C ATOM 553 O LYS A 29 4.901 19.214 -5.522 1.00 0.72 O ATOM 554 CB LYS A 29 2.130 18.531 -4.295 1.00 0.62 C ATOM 555 CG LYS A 29 0.730 18.016 -4.590 1.00 1.13 C ATOM 556 CD LYS A 29 -0.334 18.876 -3.933 1.00 1.57 C ATOM 557 CE LYS A 29 -1.727 18.333 -4.206 1.00 2.08 C ATOM 558 NZ LYS A 29 -2.783 19.149 -3.552 1.00 2.69 N ATOM 0 H LYS A 29 2.727 16.341 -3.268 1.00 0.55 H new ATOM 0 HA LYS A 29 3.059 17.439 -5.905 1.00 0.62 H new ATOM 0 HB2 LYS A 29 2.254 18.629 -3.217 1.00 0.62 H new ATOM 0 HB3 LYS A 29 2.240 19.528 -4.720 1.00 0.62 H new ATOM 0 HG2 LYS A 29 0.569 17.997 -5.668 1.00 1.13 H new ATOM 0 HG3 LYS A 29 0.638 16.989 -4.236 1.00 1.13 H new ATOM 0 HD2 LYS A 29 -0.161 18.915 -2.858 1.00 1.57 H new ATOM 0 HD3 LYS A 29 -0.260 19.898 -4.305 1.00 1.57 H new ATOM 0 HE2 LYS A 29 -1.902 18.309 -5.282 1.00 2.08 H new ATOM 0 HE3 LYS A 29 -1.791 17.305 -3.850 1.00 2.08 H new ATOM 0 HZ1 LYS A 29 -3.717 18.743 -3.764 1.00 2.69 H new ATOM 0 HZ2 LYS A 29 -2.632 19.151 -2.523 1.00 2.69 H new ATOM 0 HZ3 LYS A 29 -2.740 20.124 -3.910 1.00 2.69 H new ATOM 572 N ASP A 30 5.396 17.912 -3.765 1.00 0.62 N ATOM 573 CA ASP A 30 6.713 18.514 -3.587 1.00 0.66 C ATOM 574 C ASP A 30 7.775 17.716 -4.338 1.00 0.65 C ATOM 575 O ASP A 30 8.950 18.074 -4.379 1.00 0.69 O ATOM 576 CB ASP A 30 7.066 18.618 -2.096 1.00 0.67 C ATOM 577 CG ASP A 30 8.386 19.323 -1.847 1.00 1.33 C ATOM 578 OD1 ASP A 30 8.490 20.529 -2.164 1.00 1.32 O ATOM 579 OD2 ASP A 30 9.324 18.678 -1.329 1.00 2.14 O ATOM 0 H ASP A 30 5.168 17.175 -3.097 1.00 0.62 H new ATOM 0 HA ASP A 30 6.686 19.522 -4.001 1.00 0.66 H new ATOM 0 HB2 ASP A 30 6.271 19.153 -1.577 1.00 0.67 H new ATOM 0 HB3 ASP A 30 7.109 17.617 -1.668 1.00 0.67 H new ATOM 584 N GLY A 31 7.326 16.626 -4.948 1.00 0.62 N ATOM 585 CA GLY A 31 8.181 15.868 -5.828 1.00 0.62 C ATOM 586 C GLY A 31 8.919 14.763 -5.118 1.00 0.61 C ATOM 587 O GLY A 31 9.996 14.350 -5.549 1.00 0.63 O ATOM 0 H GLY A 31 6.381 16.256 -4.846 1.00 0.62 H new ATOM 0 HA2 GLY A 31 7.580 15.440 -6.631 1.00 0.62 H new ATOM 0 HA3 GLY A 31 8.902 16.540 -6.293 1.00 0.62 H new ATOM 591 N LYS A 32 8.360 14.304 -4.007 1.00 0.59 N ATOM 592 CA LYS A 32 8.865 13.119 -3.352 1.00 0.58 C ATOM 593 C LYS A 32 8.606 11.924 -4.252 1.00 0.56 C ATOM 594 O LYS A 32 7.558 11.838 -4.896 1.00 0.55 O ATOM 595 CB LYS A 32 8.194 12.919 -1.991 1.00 0.57 C ATOM 596 CG LYS A 32 8.583 13.964 -0.956 1.00 0.63 C ATOM 597 CD LYS A 32 10.069 13.908 -0.647 1.00 0.76 C ATOM 598 CE LYS A 32 10.466 14.939 0.393 1.00 1.15 C ATOM 599 NZ LYS A 32 11.927 14.916 0.666 1.00 1.65 N ATOM 0 H LYS A 32 7.559 14.737 -3.546 1.00 0.59 H new ATOM 0 HA LYS A 32 9.935 13.228 -3.177 1.00 0.58 H new ATOM 0 HB2 LYS A 32 7.112 12.937 -2.123 1.00 0.57 H new ATOM 0 HB3 LYS A 32 8.452 11.931 -1.611 1.00 0.57 H new ATOM 0 HG2 LYS A 32 8.323 14.957 -1.323 1.00 0.63 H new ATOM 0 HG3 LYS A 32 8.013 13.803 -0.041 1.00 0.63 H new ATOM 0 HD2 LYS A 32 10.329 12.912 -0.289 1.00 0.76 H new ATOM 0 HD3 LYS A 32 10.637 14.076 -1.562 1.00 0.76 H new ATOM 0 HE2 LYS A 32 10.176 15.932 0.049 1.00 1.15 H new ATOM 0 HE3 LYS A 32 9.921 14.751 1.318 1.00 1.15 H new ATOM 0 HZ1 LYS A 32 12.158 15.635 1.382 1.00 1.65 H new ATOM 0 HZ2 LYS A 32 12.200 13.976 1.018 1.00 1.65 H new ATOM 0 HZ3 LYS A 32 12.447 15.121 -0.211 1.00 1.65 H new ATOM 613 N ALA A 33 9.553 11.013 -4.298 1.00 0.56 N ATOM 614 CA ALA A 33 9.459 9.844 -5.162 1.00 0.55 C ATOM 615 C ALA A 33 8.411 8.878 -4.637 1.00 0.52 C ATOM 616 O ALA A 33 8.138 8.875 -3.438 1.00 0.50 O ATOM 617 CB ALA A 33 10.805 9.144 -5.267 1.00 0.59 C ATOM 0 H ALA A 33 10.408 11.056 -3.743 1.00 0.56 H new ATOM 0 HA ALA A 33 9.162 10.180 -6.156 1.00 0.55 H new ATOM 0 HB1 ALA A 33 10.713 8.274 -5.917 1.00 0.59 H new ATOM 0 HB2 ALA A 33 11.541 9.832 -5.684 1.00 0.59 H new ATOM 0 HB3 ALA A 33 11.127 8.824 -4.276 1.00 0.59 H new ATOM 623 N LYS A 34 7.833 8.055 -5.506 1.00 0.53 N ATOM 624 CA LYS A 34 6.815 7.095 -5.075 1.00 0.51 C ATOM 625 C LYS A 34 7.383 6.231 -3.958 1.00 0.51 C ATOM 626 O LYS A 34 6.686 5.899 -3.006 1.00 0.48 O ATOM 627 CB LYS A 34 6.340 6.197 -6.230 1.00 0.56 C ATOM 628 CG LYS A 34 5.581 6.922 -7.336 1.00 1.21 C ATOM 629 CD LYS A 34 6.510 7.715 -8.241 1.00 1.64 C ATOM 630 CE LYS A 34 5.754 8.393 -9.369 1.00 2.21 C ATOM 631 NZ LYS A 34 6.665 9.173 -10.245 1.00 2.97 N ATOM 0 H LYS A 34 8.047 8.030 -6.503 1.00 0.53 H new ATOM 0 HA LYS A 34 5.952 7.658 -4.721 1.00 0.51 H new ATOM 0 HB2 LYS A 34 7.208 5.704 -6.668 1.00 0.56 H new ATOM 0 HB3 LYS A 34 5.700 5.414 -5.823 1.00 0.56 H new ATOM 0 HG2 LYS A 34 5.028 6.196 -7.932 1.00 1.21 H new ATOM 0 HG3 LYS A 34 4.847 7.594 -6.891 1.00 1.21 H new ATOM 0 HD2 LYS A 34 7.036 8.467 -7.653 1.00 1.64 H new ATOM 0 HD3 LYS A 34 7.266 7.050 -8.658 1.00 1.64 H new ATOM 0 HE2 LYS A 34 5.233 7.641 -9.962 1.00 2.21 H new ATOM 0 HE3 LYS A 34 4.994 9.054 -8.953 1.00 2.21 H new ATOM 0 HZ1 LYS A 34 6.115 9.623 -11.005 1.00 2.97 H new ATOM 0 HZ2 LYS A 34 7.144 9.906 -9.683 1.00 2.97 H new ATOM 0 HZ3 LYS A 34 7.375 8.537 -10.661 1.00 2.97 H new ATOM 645 N LYS A 35 8.665 5.908 -4.072 1.00 0.54 N ATOM 646 CA LYS A 35 9.354 5.112 -3.061 1.00 0.56 C ATOM 647 C LYS A 35 9.271 5.761 -1.672 1.00 0.53 C ATOM 648 O LYS A 35 9.367 5.073 -0.660 1.00 0.55 O ATOM 649 CB LYS A 35 10.827 4.926 -3.443 1.00 0.61 C ATOM 650 CG LYS A 35 11.044 4.380 -4.846 1.00 1.17 C ATOM 651 CD LYS A 35 10.395 3.015 -5.043 1.00 1.56 C ATOM 652 CE LYS A 35 11.028 1.956 -4.157 1.00 2.18 C ATOM 653 NZ LYS A 35 10.465 0.605 -4.417 1.00 2.82 N ATOM 0 H LYS A 35 9.252 6.186 -4.858 1.00 0.54 H new ATOM 0 HA LYS A 35 8.857 4.143 -3.018 1.00 0.56 H new ATOM 0 HB2 LYS A 35 11.337 5.885 -3.356 1.00 0.61 H new ATOM 0 HB3 LYS A 35 11.294 4.250 -2.726 1.00 0.61 H new ATOM 0 HG2 LYS A 35 10.636 5.082 -5.574 1.00 1.17 H new ATOM 0 HG3 LYS A 35 12.113 4.303 -5.042 1.00 1.17 H new ATOM 0 HD2 LYS A 35 9.330 3.084 -4.823 1.00 1.56 H new ATOM 0 HD3 LYS A 35 10.486 2.717 -6.087 1.00 1.56 H new ATOM 0 HE2 LYS A 35 12.105 1.939 -4.325 1.00 2.18 H new ATOM 0 HE3 LYS A 35 10.873 2.218 -3.111 1.00 2.18 H new ATOM 0 HZ1 LYS A 35 10.947 -0.094 -3.816 1.00 2.82 H new ATOM 0 HZ2 LYS A 35 9.448 0.605 -4.200 1.00 2.82 H new ATOM 0 HZ3 LYS A 35 10.605 0.357 -5.417 1.00 2.82 H new ATOM 667 N GLU A 36 9.085 7.080 -1.626 1.00 0.51 N ATOM 668 CA GLU A 36 9.088 7.818 -0.366 1.00 0.50 C ATOM 669 C GLU A 36 7.678 7.931 0.221 1.00 0.44 C ATOM 670 O GLU A 36 7.469 7.990 1.432 1.00 0.45 O ATOM 671 CB GLU A 36 9.696 9.198 -0.579 1.00 0.53 C ATOM 672 CG GLU A 36 11.025 9.133 -1.305 1.00 0.61 C ATOM 673 CD GLU A 36 11.760 10.455 -1.328 1.00 0.68 C ATOM 674 OE1 GLU A 36 11.501 11.275 -2.232 1.00 0.66 O ATOM 675 OE2 GLU A 36 12.619 10.672 -0.443 1.00 0.85 O ATOM 0 H GLU A 36 8.930 7.660 -2.451 1.00 0.51 H new ATOM 0 HA GLU A 36 9.695 7.268 0.353 1.00 0.50 H new ATOM 0 HB2 GLU A 36 9.002 9.815 -1.150 1.00 0.53 H new ATOM 0 HB3 GLU A 36 9.835 9.685 0.386 1.00 0.53 H new ATOM 0 HG2 GLU A 36 11.656 8.383 -0.828 1.00 0.61 H new ATOM 0 HG3 GLU A 36 10.856 8.802 -2.329 1.00 0.61 H new ATOM 682 N LEU A 37 6.726 7.929 -0.709 1.00 0.39 N ATOM 683 CA LEU A 37 5.330 7.773 -0.364 1.00 0.36 C ATOM 684 C LEU A 37 5.091 6.363 0.153 1.00 0.36 C ATOM 685 O LEU A 37 4.443 6.158 1.179 1.00 0.35 O ATOM 686 CB LEU A 37 4.490 8.023 -1.609 1.00 0.37 C ATOM 687 CG LEU A 37 4.400 9.474 -2.088 1.00 0.41 C ATOM 688 CD1 LEU A 37 3.519 10.280 -1.160 1.00 1.22 C ATOM 689 CD2 LEU A 37 5.757 10.148 -2.213 1.00 1.01 C ATOM 0 H LEU A 37 6.905 8.034 -1.708 1.00 0.39 H new ATOM 0 HA LEU A 37 5.052 8.484 0.414 1.00 0.36 H new ATOM 0 HB2 LEU A 37 4.895 7.419 -2.421 1.00 0.37 H new ATOM 0 HB3 LEU A 37 3.479 7.663 -1.417 1.00 0.37 H new ATOM 0 HG LEU A 37 3.964 9.440 -3.086 1.00 0.41 H new ATOM 0 HD11 LEU A 37 3.464 11.310 -1.513 1.00 1.22 H new ATOM 0 HD12 LEU A 37 2.518 9.849 -1.143 1.00 1.22 H new ATOM 0 HD13 LEU A 37 3.939 10.263 -0.154 1.00 1.22 H new ATOM 0 HD21 LEU A 37 5.623 11.174 -2.557 1.00 1.01 H new ATOM 0 HD22 LEU A 37 6.252 10.152 -1.242 1.00 1.01 H new ATOM 0 HD23 LEU A 37 6.370 9.602 -2.930 1.00 1.01 H new ATOM 701 N GLU A 38 5.678 5.412 -0.553 1.00 0.39 N ATOM 702 CA GLU A 38 5.610 4.003 -0.203 1.00 0.43 C ATOM 703 C GLU A 38 6.365 3.748 1.098 1.00 0.43 C ATOM 704 O GLU A 38 6.215 2.718 1.728 1.00 0.45 O ATOM 705 CB GLU A 38 6.199 3.165 -1.337 1.00 0.57 C ATOM 706 CG GLU A 38 5.665 1.746 -1.397 1.00 1.35 C ATOM 707 CD GLU A 38 4.197 1.707 -1.766 1.00 2.06 C ATOM 708 OE1 GLU A 38 3.879 1.845 -2.963 1.00 2.49 O ATOM 709 OE2 GLU A 38 3.364 1.519 -0.852 1.00 2.72 O ATOM 0 H GLU A 38 6.222 5.598 -1.396 1.00 0.39 H new ATOM 0 HA GLU A 38 4.568 3.718 -0.057 1.00 0.43 H new ATOM 0 HB2 GLU A 38 5.993 3.660 -2.286 1.00 0.57 H new ATOM 0 HB3 GLU A 38 7.283 3.130 -1.224 1.00 0.57 H new ATOM 0 HG2 GLU A 38 6.238 1.174 -2.127 1.00 1.35 H new ATOM 0 HG3 GLU A 38 5.809 1.263 -0.430 1.00 1.35 H new ATOM 716 N ALA A 39 7.179 4.709 1.492 1.00 0.43 N ATOM 717 CA ALA A 39 7.955 4.602 2.719 1.00 0.45 C ATOM 718 C ALA A 39 7.245 5.190 3.923 1.00 0.42 C ATOM 719 O ALA A 39 7.233 4.607 5.007 1.00 0.44 O ATOM 720 CB ALA A 39 9.318 5.256 2.542 1.00 0.49 C ATOM 0 H ALA A 39 7.322 5.579 0.979 1.00 0.43 H new ATOM 0 HA ALA A 39 8.081 3.537 2.916 1.00 0.45 H new ATOM 0 HB1 ALA A 39 9.887 5.168 3.468 1.00 0.49 H new ATOM 0 HB2 ALA A 39 9.858 4.759 1.736 1.00 0.49 H new ATOM 0 HB3 ALA A 39 9.187 6.310 2.296 1.00 0.49 H new ATOM 726 N LYS A 40 6.628 6.345 3.706 1.00 0.39 N ATOM 727 CA LYS A 40 5.931 7.058 4.761 1.00 0.37 C ATOM 728 C LYS A 40 4.714 6.266 5.220 1.00 0.31 C ATOM 729 O LYS A 40 4.473 6.103 6.417 1.00 0.31 O ATOM 730 CB LYS A 40 5.505 8.435 4.240 1.00 0.41 C ATOM 731 CG LYS A 40 5.022 9.389 5.319 1.00 0.79 C ATOM 732 CD LYS A 40 6.107 9.726 6.336 1.00 0.64 C ATOM 733 CE LYS A 40 7.184 10.649 5.774 1.00 0.74 C ATOM 734 NZ LYS A 40 8.182 9.927 4.938 1.00 1.34 N ATOM 0 H LYS A 40 6.598 6.809 2.798 1.00 0.39 H new ATOM 0 HA LYS A 40 6.597 7.184 5.615 1.00 0.37 H new ATOM 0 HB2 LYS A 40 6.348 8.890 3.719 1.00 0.41 H new ATOM 0 HB3 LYS A 40 4.710 8.303 3.506 1.00 0.41 H new ATOM 0 HG2 LYS A 40 4.668 10.309 4.853 1.00 0.79 H new ATOM 0 HG3 LYS A 40 4.171 8.946 5.836 1.00 0.79 H new ATOM 0 HD2 LYS A 40 5.649 10.198 7.205 1.00 0.64 H new ATOM 0 HD3 LYS A 40 6.572 8.803 6.683 1.00 0.64 H new ATOM 0 HE2 LYS A 40 6.712 11.429 5.176 1.00 0.74 H new ATOM 0 HE3 LYS A 40 7.697 11.145 6.598 1.00 0.74 H new ATOM 0 HZ1 LYS A 40 9.140 10.125 5.292 1.00 1.34 H new ATOM 0 HZ2 LYS A 40 8.000 8.904 4.986 1.00 1.34 H new ATOM 0 HZ3 LYS A 40 8.105 10.247 3.951 1.00 1.34 H new ATOM 748 N ILE A 41 3.969 5.756 4.254 1.00 0.29 N ATOM 749 CA ILE A 41 2.752 5.020 4.525 1.00 0.26 C ATOM 750 C ILE A 41 3.056 3.658 5.141 1.00 0.27 C ATOM 751 O ILE A 41 2.354 3.218 6.049 1.00 0.27 O ATOM 752 CB ILE A 41 1.938 4.868 3.229 1.00 0.29 C ATOM 753 CG1 ILE A 41 1.580 6.262 2.711 1.00 0.33 C ATOM 754 CG2 ILE A 41 0.688 4.039 3.464 1.00 0.33 C ATOM 755 CD1 ILE A 41 1.057 6.292 1.295 1.00 0.39 C ATOM 0 H ILE A 41 4.193 5.842 3.263 1.00 0.29 H new ATOM 0 HA ILE A 41 2.161 5.580 5.250 1.00 0.26 H new ATOM 0 HB ILE A 41 2.535 4.343 2.484 1.00 0.29 H new ATOM 0 HG12 ILE A 41 0.830 6.699 3.371 1.00 0.33 H new ATOM 0 HG13 ILE A 41 2.465 6.896 2.771 1.00 0.33 H new ATOM 0 HG21 ILE A 41 0.131 3.948 2.531 1.00 0.33 H new ATOM 0 HG22 ILE A 41 0.970 3.047 3.817 1.00 0.33 H new ATOM 0 HG23 ILE A 41 0.064 4.526 4.213 1.00 0.33 H new ATOM 0 HD11 ILE A 41 0.830 7.320 1.013 1.00 0.39 H new ATOM 0 HD12 ILE A 41 1.812 5.889 0.620 1.00 0.39 H new ATOM 0 HD13 ILE A 41 0.152 5.689 1.229 1.00 0.39 H new ATOM 767 N LEU A 42 4.116 3.006 4.668 1.00 0.31 N ATOM 768 CA LEU A 42 4.536 1.728 5.237 1.00 0.35 C ATOM 769 C LEU A 42 4.939 1.876 6.697 1.00 0.35 C ATOM 770 O LEU A 42 4.743 0.966 7.501 1.00 0.38 O ATOM 771 CB LEU A 42 5.717 1.135 4.470 1.00 0.39 C ATOM 772 CG LEU A 42 5.385 0.458 3.139 1.00 0.40 C ATOM 773 CD1 LEU A 42 6.613 -0.244 2.600 1.00 0.45 C ATOM 774 CD2 LEU A 42 4.237 -0.528 3.285 1.00 0.40 C ATOM 0 H LEU A 42 4.696 3.339 3.898 1.00 0.31 H new ATOM 0 HA LEU A 42 3.678 1.060 5.159 1.00 0.35 H new ATOM 0 HB2 LEU A 42 6.437 1.931 4.280 1.00 0.39 H new ATOM 0 HB3 LEU A 42 6.211 0.406 5.112 1.00 0.39 H new ATOM 0 HG LEU A 42 5.070 1.230 2.436 1.00 0.40 H new ATOM 0 HD11 LEU A 42 6.371 -0.724 1.652 1.00 0.45 H new ATOM 0 HD12 LEU A 42 7.409 0.484 2.445 1.00 0.45 H new ATOM 0 HD13 LEU A 42 6.944 -0.998 3.314 1.00 0.45 H new ATOM 0 HD21 LEU A 42 4.029 -0.990 2.320 1.00 0.40 H new ATOM 0 HD22 LEU A 42 4.509 -1.300 4.005 1.00 0.40 H new ATOM 0 HD23 LEU A 42 3.348 -0.003 3.635 1.00 0.40 H new ATOM 786 N HIS A 43 5.490 3.034 7.038 1.00 0.35 N ATOM 787 CA HIS A 43 5.797 3.346 8.426 1.00 0.37 C ATOM 788 C HIS A 43 4.510 3.428 9.241 1.00 0.35 C ATOM 789 O HIS A 43 4.397 2.794 10.284 1.00 0.40 O ATOM 790 CB HIS A 43 6.578 4.660 8.538 1.00 0.40 C ATOM 791 CG HIS A 43 6.925 5.027 9.951 1.00 0.49 C ATOM 792 ND1 HIS A 43 8.000 4.493 10.628 1.00 1.17 N ATOM 793 CD2 HIS A 43 6.315 5.862 10.823 1.00 1.23 C ATOM 794 CE1 HIS A 43 8.034 4.982 11.853 1.00 0.93 C ATOM 795 NE2 HIS A 43 7.022 5.814 11.995 1.00 0.92 N ATOM 0 H HIS A 43 5.732 3.770 6.374 1.00 0.35 H new ATOM 0 HA HIS A 43 6.422 2.547 8.823 1.00 0.37 H new ATOM 0 HB2 HIS A 43 7.496 4.580 7.955 1.00 0.40 H new ATOM 0 HB3 HIS A 43 5.989 5.463 8.096 1.00 0.40 H new ATOM 0 HD2 HIS A 43 5.434 6.456 10.631 1.00 1.23 H new ATOM 0 HE1 HIS A 43 8.766 4.742 12.610 1.00 0.93 H new ATOM 0 HE2 HIS A 43 6.801 6.338 12.842 1.00 0.92 H new ATOM 804 N TYR A 44 3.537 4.197 8.752 1.00 0.30 N ATOM 805 CA TYR A 44 2.263 4.358 9.451 1.00 0.30 C ATOM 806 C TYR A 44 1.561 3.017 9.567 1.00 0.32 C ATOM 807 O TYR A 44 0.967 2.690 10.589 1.00 0.40 O ATOM 808 CB TYR A 44 1.382 5.357 8.704 1.00 0.31 C ATOM 809 CG TYR A 44 2.005 6.726 8.616 1.00 0.35 C ATOM 810 CD1 TYR A 44 2.813 7.190 9.640 1.00 0.42 C ATOM 811 CD2 TYR A 44 1.805 7.543 7.512 1.00 0.40 C ATOM 812 CE1 TYR A 44 3.406 8.423 9.577 1.00 0.52 C ATOM 813 CE2 TYR A 44 2.401 8.787 7.433 1.00 0.50 C ATOM 814 CZ TYR A 44 3.203 9.221 8.477 1.00 0.58 C ATOM 815 OH TYR A 44 3.819 10.448 8.421 1.00 0.68 O ATOM 0 H TYR A 44 3.607 4.717 7.877 1.00 0.30 H new ATOM 0 HA TYR A 44 2.452 4.740 10.454 1.00 0.30 H new ATOM 0 HB2 TYR A 44 1.189 4.984 7.698 1.00 0.31 H new ATOM 0 HB3 TYR A 44 0.418 5.432 9.207 1.00 0.31 H new ATOM 0 HD1 TYR A 44 2.979 6.567 10.506 1.00 0.42 H new ATOM 0 HD2 TYR A 44 1.175 7.202 6.704 1.00 0.40 H new ATOM 0 HE1 TYR A 44 4.030 8.767 10.388 1.00 0.52 H new ATOM 0 HE2 TYR A 44 2.244 9.414 6.568 1.00 0.50 H new ATOM 0 HH TYR A 44 3.140 11.153 8.374 1.00 0.68 H new ATOM 825 N TYR A 45 1.672 2.255 8.497 1.00 0.30 N ATOM 826 CA TYR A 45 1.153 0.908 8.416 1.00 0.33 C ATOM 827 C TYR A 45 1.740 0.027 9.523 1.00 0.40 C ATOM 828 O TYR A 45 1.017 -0.665 10.243 1.00 0.42 O ATOM 829 CB TYR A 45 1.507 0.373 7.024 1.00 0.35 C ATOM 830 CG TYR A 45 1.222 -1.076 6.787 1.00 0.40 C ATOM 831 CD1 TYR A 45 -0.072 -1.558 6.718 1.00 0.41 C ATOM 832 CD2 TYR A 45 2.270 -1.958 6.596 1.00 0.49 C ATOM 833 CE1 TYR A 45 -0.315 -2.889 6.463 1.00 0.46 C ATOM 834 CE2 TYR A 45 2.041 -3.286 6.347 1.00 0.54 C ATOM 835 CZ TYR A 45 0.750 -3.752 6.280 1.00 0.53 C ATOM 836 OH TYR A 45 0.523 -5.082 6.027 1.00 0.58 O ATOM 0 H TYR A 45 2.136 2.564 7.643 1.00 0.30 H new ATOM 0 HA TYR A 45 0.073 0.900 8.560 1.00 0.33 H new ATOM 0 HB2 TYR A 45 0.961 0.956 6.283 1.00 0.35 H new ATOM 0 HB3 TYR A 45 2.568 0.548 6.848 1.00 0.35 H new ATOM 0 HD1 TYR A 45 -0.902 -0.883 6.866 1.00 0.41 H new ATOM 0 HD2 TYR A 45 3.286 -1.594 6.644 1.00 0.49 H new ATOM 0 HE1 TYR A 45 -1.329 -3.256 6.406 1.00 0.46 H new ATOM 0 HE2 TYR A 45 2.871 -3.963 6.204 1.00 0.54 H new ATOM 0 HH TYR A 45 1.345 -5.496 5.690 1.00 0.58 H new ATOM 846 N ASP A 46 3.048 0.089 9.688 1.00 0.43 N ATOM 847 CA ASP A 46 3.727 -0.758 10.658 1.00 0.51 C ATOM 848 C ASP A 46 3.518 -0.278 12.092 1.00 0.53 C ATOM 849 O ASP A 46 3.728 -1.039 13.040 1.00 0.60 O ATOM 850 CB ASP A 46 5.217 -0.854 10.339 1.00 0.58 C ATOM 851 CG ASP A 46 5.589 -2.184 9.723 1.00 0.90 C ATOM 852 OD1 ASP A 46 5.509 -2.314 8.483 1.00 1.20 O ATOM 853 OD2 ASP A 46 5.959 -3.115 10.470 1.00 1.14 O ATOM 0 H ASP A 46 3.662 0.714 9.166 1.00 0.43 H new ATOM 0 HA ASP A 46 3.283 -1.751 10.582 1.00 0.51 H new ATOM 0 HB2 ASP A 46 5.492 -0.050 9.656 1.00 0.58 H new ATOM 0 HB3 ASP A 46 5.792 -0.706 11.253 1.00 0.58 H new ATOM 858 N GLU A 47 3.100 0.974 12.259 1.00 0.49 N ATOM 859 CA GLU A 47 2.869 1.541 13.582 1.00 0.51 C ATOM 860 C GLU A 47 1.418 1.326 14.013 1.00 0.49 C ATOM 861 O GLU A 47 0.987 1.859 15.037 1.00 0.58 O ATOM 862 CB GLU A 47 3.159 3.043 13.559 1.00 0.53 C ATOM 863 CG GLU A 47 4.593 3.409 13.211 1.00 1.21 C ATOM 864 CD GLU A 47 5.579 3.037 14.296 1.00 1.73 C ATOM 865 OE1 GLU A 47 5.351 3.404 15.466 1.00 2.21 O ATOM 866 OE2 GLU A 47 6.579 2.356 13.988 1.00 2.22 O ATOM 0 H GLU A 47 2.914 1.617 11.489 1.00 0.49 H new ATOM 0 HA GLU A 47 3.532 1.042 14.289 1.00 0.51 H new ATOM 0 HB2 GLU A 47 2.493 3.517 12.838 1.00 0.53 H new ATOM 0 HB3 GLU A 47 2.919 3.460 14.537 1.00 0.53 H new ATOM 0 HG2 GLU A 47 4.875 2.909 12.285 1.00 1.21 H new ATOM 0 HG3 GLU A 47 4.653 4.481 13.025 1.00 1.21 H new ATOM 873 N LEU A 48 0.662 0.570 13.222 1.00 0.44 N ATOM 874 CA LEU A 48 -0.758 0.373 13.462 1.00 0.46 C ATOM 875 C LEU A 48 -1.046 -0.524 14.672 1.00 0.69 C ATOM 876 O LEU A 48 -0.162 -0.846 15.470 1.00 1.11 O ATOM 877 CB LEU A 48 -1.391 -0.185 12.180 1.00 0.37 C ATOM 878 CG LEU A 48 -1.494 0.824 11.042 1.00 0.36 C ATOM 879 CD1 LEU A 48 -2.082 0.173 9.808 1.00 0.44 C ATOM 880 CD2 LEU A 48 -2.339 2.007 11.473 1.00 0.47 C ATOM 0 H LEU A 48 1.018 0.080 12.401 1.00 0.44 H new ATOM 0 HA LEU A 48 -1.204 1.336 13.712 1.00 0.46 H new ATOM 0 HB2 LEU A 48 -0.805 -1.039 11.841 1.00 0.37 H new ATOM 0 HB3 LEU A 48 -2.389 -0.556 12.413 1.00 0.37 H new ATOM 0 HG LEU A 48 -0.493 1.179 10.796 1.00 0.36 H new ATOM 0 HD11 LEU A 48 -2.148 0.908 9.006 1.00 0.44 H new ATOM 0 HD12 LEU A 48 -1.443 -0.652 9.493 1.00 0.44 H new ATOM 0 HD13 LEU A 48 -3.078 -0.206 10.036 1.00 0.44 H new ATOM 0 HD21 LEU A 48 -2.407 2.723 10.654 1.00 0.47 H new ATOM 0 HD22 LEU A 48 -3.339 1.663 11.738 1.00 0.47 H new ATOM 0 HD23 LEU A 48 -1.879 2.487 12.337 1.00 0.47 H new ATOM 892 N GLU A 49 -2.292 -0.958 14.745 1.00 0.61 N ATOM 893 CA GLU A 49 -2.835 -1.643 15.918 1.00 0.86 C ATOM 894 C GLU A 49 -3.375 -3.006 15.494 1.00 0.61 C ATOM 895 O GLU A 49 -3.266 -3.362 14.328 1.00 1.16 O ATOM 896 CB GLU A 49 -3.954 -0.807 16.550 1.00 1.42 C ATOM 897 CG GLU A 49 -3.528 0.601 16.938 1.00 1.33 C ATOM 898 CD GLU A 49 -2.578 0.628 18.119 1.00 2.01 C ATOM 899 OE1 GLU A 49 -1.354 0.486 17.914 1.00 2.83 O ATOM 900 OE2 GLU A 49 -3.052 0.802 19.258 1.00 2.19 O ATOM 0 H GLU A 49 -2.966 -0.847 13.988 1.00 0.61 H new ATOM 0 HA GLU A 49 -2.045 -1.776 16.658 1.00 0.86 H new ATOM 0 HB2 GLU A 49 -4.787 -0.744 15.850 1.00 1.42 H new ATOM 0 HB3 GLU A 49 -4.322 -1.322 17.437 1.00 1.42 H new ATOM 0 HG2 GLU A 49 -3.050 1.079 16.083 1.00 1.33 H new ATOM 0 HG3 GLU A 49 -4.414 1.190 17.178 1.00 1.33 H new ATOM 907 N GLY A 50 -3.972 -3.743 16.424 1.00 0.74 N ATOM 908 CA GLY A 50 -4.453 -5.091 16.130 1.00 0.61 C ATOM 909 C GLY A 50 -5.339 -5.170 14.897 1.00 0.54 C ATOM 910 O GLY A 50 -4.940 -5.727 13.870 1.00 0.54 O ATOM 0 H GLY A 50 -4.135 -3.434 17.382 1.00 0.74 H new ATOM 0 HA2 GLY A 50 -3.596 -5.751 15.993 1.00 0.61 H new ATOM 0 HA3 GLY A 50 -5.009 -5.464 16.990 1.00 0.61 H new ATOM 914 N ASP A 51 -6.533 -4.609 14.986 1.00 0.54 N ATOM 915 CA ASP A 51 -7.479 -4.653 13.872 1.00 0.52 C ATOM 916 C ASP A 51 -7.184 -3.532 12.894 1.00 0.46 C ATOM 917 O ASP A 51 -7.489 -3.646 11.714 1.00 0.46 O ATOM 918 CB ASP A 51 -8.921 -4.552 14.374 1.00 0.58 C ATOM 919 CG ASP A 51 -9.256 -5.622 15.390 1.00 1.53 C ATOM 920 OD1 ASP A 51 -9.444 -6.792 14.995 1.00 2.06 O ATOM 921 OD2 ASP A 51 -9.341 -5.296 16.595 1.00 2.37 O ATOM 0 H ASP A 51 -6.874 -4.118 15.813 1.00 0.54 H new ATOM 0 HA ASP A 51 -7.364 -5.610 13.362 1.00 0.52 H new ATOM 0 HB2 ASP A 51 -9.079 -3.570 14.819 1.00 0.58 H new ATOM 0 HB3 ASP A 51 -9.604 -4.632 13.528 1.00 0.58 H new ATOM 926 N ALA A 52 -6.572 -2.456 13.381 1.00 0.43 N ATOM 927 CA ALA A 52 -6.200 -1.341 12.515 1.00 0.41 C ATOM 928 C ALA A 52 -5.258 -1.824 11.423 1.00 0.40 C ATOM 929 O ALA A 52 -5.436 -1.519 10.247 1.00 0.40 O ATOM 930 CB ALA A 52 -5.569 -0.216 13.319 1.00 0.42 C ATOM 0 H ALA A 52 -6.325 -2.333 14.363 1.00 0.43 H new ATOM 0 HA ALA A 52 -7.102 -0.946 12.047 1.00 0.41 H new ATOM 0 HB1 ALA A 52 -5.301 0.603 12.651 1.00 0.42 H new ATOM 0 HB2 ALA A 52 -6.280 0.142 14.064 1.00 0.42 H new ATOM 0 HB3 ALA A 52 -4.673 -0.584 13.819 1.00 0.42 H new ATOM 936 N LYS A 53 -4.251 -2.590 11.837 1.00 0.40 N ATOM 937 CA LYS A 53 -3.232 -3.085 10.928 1.00 0.41 C ATOM 938 C LYS A 53 -3.874 -4.059 9.961 1.00 0.41 C ATOM 939 O LYS A 53 -3.672 -3.966 8.758 1.00 0.40 O ATOM 940 CB LYS A 53 -2.104 -3.762 11.722 1.00 0.47 C ATOM 941 CG LYS A 53 -0.748 -3.800 11.025 1.00 0.52 C ATOM 942 CD LYS A 53 -0.660 -4.903 9.986 1.00 0.94 C ATOM 943 CE LYS A 53 0.760 -5.047 9.458 1.00 0.83 C ATOM 944 NZ LYS A 53 0.891 -6.169 8.491 1.00 1.62 N ATOM 0 H LYS A 53 -4.123 -2.881 12.806 1.00 0.40 H new ATOM 0 HA LYS A 53 -2.797 -2.258 10.367 1.00 0.41 H new ATOM 0 HB2 LYS A 53 -1.990 -3.243 12.674 1.00 0.47 H new ATOM 0 HB3 LYS A 53 -2.406 -4.784 11.950 1.00 0.47 H new ATOM 0 HG2 LYS A 53 -0.562 -2.839 10.546 1.00 0.52 H new ATOM 0 HG3 LYS A 53 0.036 -3.943 11.769 1.00 0.52 H new ATOM 0 HD2 LYS A 53 -0.986 -5.846 10.424 1.00 0.94 H new ATOM 0 HD3 LYS A 53 -1.338 -4.684 9.161 1.00 0.94 H new ATOM 0 HE2 LYS A 53 1.062 -4.117 8.976 1.00 0.83 H new ATOM 0 HE3 LYS A 53 1.441 -5.209 10.293 1.00 0.83 H new ATOM 0 HZ1 LYS A 53 1.895 -6.415 8.379 1.00 1.62 H new ATOM 0 HZ2 LYS A 53 0.369 -6.996 8.846 1.00 1.62 H new ATOM 0 HZ3 LYS A 53 0.501 -5.882 7.571 1.00 1.62 H new ATOM 958 N LYS A 54 -4.666 -4.975 10.505 1.00 0.44 N ATOM 959 CA LYS A 54 -5.417 -5.926 9.699 1.00 0.47 C ATOM 960 C LYS A 54 -6.283 -5.202 8.662 1.00 0.44 C ATOM 961 O LYS A 54 -6.272 -5.551 7.482 1.00 0.46 O ATOM 962 CB LYS A 54 -6.267 -6.823 10.601 1.00 0.52 C ATOM 963 CG LYS A 54 -7.748 -6.816 10.274 1.00 0.99 C ATOM 964 CD LYS A 54 -8.409 -8.089 10.756 1.00 0.97 C ATOM 965 CE LYS A 54 -9.807 -8.248 10.181 1.00 1.74 C ATOM 966 NZ LYS A 54 -9.783 -8.388 8.701 1.00 2.49 N ATOM 0 H LYS A 54 -4.804 -5.078 11.510 1.00 0.44 H new ATOM 0 HA LYS A 54 -4.712 -6.555 9.155 1.00 0.47 H new ATOM 0 HB2 LYS A 54 -5.896 -7.846 10.529 1.00 0.52 H new ATOM 0 HB3 LYS A 54 -6.134 -6.507 11.636 1.00 0.52 H new ATOM 0 HG2 LYS A 54 -8.224 -5.954 10.741 1.00 0.99 H new ATOM 0 HG3 LYS A 54 -7.887 -6.713 9.198 1.00 0.99 H new ATOM 0 HD2 LYS A 54 -7.799 -8.946 10.472 1.00 0.97 H new ATOM 0 HD3 LYS A 54 -8.462 -8.082 11.845 1.00 0.97 H new ATOM 0 HE2 LYS A 54 -10.284 -9.124 10.621 1.00 1.74 H new ATOM 0 HE3 LYS A 54 -10.413 -7.384 10.455 1.00 1.74 H new ATOM 0 HZ1 LYS A 54 -10.678 -8.807 8.377 1.00 2.49 H new ATOM 0 HZ2 LYS A 54 -9.662 -7.451 8.266 1.00 2.49 H new ATOM 0 HZ3 LYS A 54 -8.992 -9.004 8.423 1.00 2.49 H new ATOM 980 N GLU A 55 -6.998 -4.172 9.105 1.00 0.42 N ATOM 981 CA GLU A 55 -7.888 -3.431 8.233 1.00 0.41 C ATOM 982 C GLU A 55 -7.094 -2.675 7.189 1.00 0.39 C ATOM 983 O GLU A 55 -7.440 -2.708 6.009 1.00 0.41 O ATOM 984 CB GLU A 55 -8.753 -2.475 9.053 1.00 0.42 C ATOM 985 CG GLU A 55 -9.937 -3.150 9.721 1.00 0.89 C ATOM 986 CD GLU A 55 -10.980 -2.161 10.190 1.00 1.39 C ATOM 987 OE1 GLU A 55 -10.871 -1.682 11.338 1.00 2.27 O ATOM 988 OE2 GLU A 55 -11.909 -1.853 9.419 1.00 1.34 O ATOM 0 H GLU A 55 -6.974 -3.835 10.067 1.00 0.42 H new ATOM 0 HA GLU A 55 -8.543 -4.134 7.719 1.00 0.41 H new ATOM 0 HB2 GLU A 55 -8.135 -2.004 9.817 1.00 0.42 H new ATOM 0 HB3 GLU A 55 -9.118 -1.680 8.403 1.00 0.42 H new ATOM 0 HG2 GLU A 55 -10.394 -3.850 9.022 1.00 0.89 H new ATOM 0 HG3 GLU A 55 -9.586 -3.733 10.572 1.00 0.89 H new ATOM 995 N ALA A 56 -6.035 -2.002 7.601 1.00 0.36 N ATOM 996 CA ALA A 56 -5.205 -1.301 6.646 1.00 0.34 C ATOM 997 C ALA A 56 -4.617 -2.287 5.653 1.00 0.36 C ATOM 998 O ALA A 56 -4.713 -2.085 4.449 1.00 0.37 O ATOM 999 CB ALA A 56 -4.112 -0.512 7.339 1.00 0.31 C ATOM 0 H ALA A 56 -5.735 -1.928 8.573 1.00 0.36 H new ATOM 0 HA ALA A 56 -5.827 -0.587 6.107 1.00 0.34 H new ATOM 0 HB1 ALA A 56 -3.506 0.003 6.593 1.00 0.31 H new ATOM 0 HB2 ALA A 56 -4.561 0.220 8.010 1.00 0.31 H new ATOM 0 HB3 ALA A 56 -3.481 -1.191 7.913 1.00 0.31 H new ATOM 1005 N THR A 57 -4.030 -3.359 6.165 1.00 0.38 N ATOM 1006 CA THR A 57 -3.430 -4.381 5.325 1.00 0.41 C ATOM 1007 C THR A 57 -4.394 -4.895 4.265 1.00 0.44 C ATOM 1008 O THR A 57 -4.034 -5.064 3.108 1.00 0.45 O ATOM 1009 CB THR A 57 -2.944 -5.592 6.143 1.00 0.45 C ATOM 1010 OG1 THR A 57 -2.054 -5.172 7.176 1.00 0.43 O ATOM 1011 CG2 THR A 57 -2.241 -6.593 5.242 1.00 0.51 C ATOM 0 H THR A 57 -3.957 -3.543 7.166 1.00 0.38 H new ATOM 0 HA THR A 57 -2.582 -3.893 4.845 1.00 0.41 H new ATOM 0 HB THR A 57 -3.814 -6.068 6.595 1.00 0.45 H new ATOM 0 HG1 THR A 57 -1.176 -4.973 6.790 1.00 0.43 H new ATOM 0 HG21 THR A 57 -1.904 -7.443 5.836 1.00 0.51 H new ATOM 0 HG22 THR A 57 -2.932 -6.939 4.473 1.00 0.51 H new ATOM 0 HG23 THR A 57 -1.382 -6.117 4.770 1.00 0.51 H new ATOM 1019 N GLU A 58 -5.638 -5.109 4.693 1.00 0.45 N ATOM 1020 CA GLU A 58 -6.709 -5.525 3.798 1.00 0.49 C ATOM 1021 C GLU A 58 -7.026 -4.435 2.765 1.00 0.48 C ATOM 1022 O GLU A 58 -7.403 -4.744 1.633 1.00 0.53 O ATOM 1023 CB GLU A 58 -7.962 -5.891 4.604 1.00 0.52 C ATOM 1024 CG GLU A 58 -7.841 -7.195 5.373 1.00 0.78 C ATOM 1025 CD GLU A 58 -7.366 -8.352 4.517 1.00 1.14 C ATOM 1026 OE1 GLU A 58 -7.979 -8.621 3.466 1.00 1.37 O ATOM 1027 OE2 GLU A 58 -6.382 -9.014 4.904 1.00 1.71 O ATOM 0 H GLU A 58 -5.927 -4.999 5.665 1.00 0.45 H new ATOM 0 HA GLU A 58 -6.373 -6.408 3.254 1.00 0.49 H new ATOM 0 HB2 GLU A 58 -8.178 -5.086 5.306 1.00 0.52 H new ATOM 0 HB3 GLU A 58 -8.812 -5.959 3.925 1.00 0.52 H new ATOM 0 HG2 GLU A 58 -7.148 -7.057 6.203 1.00 0.78 H new ATOM 0 HG3 GLU A 58 -8.810 -7.445 5.805 1.00 0.78 H new ATOM 1034 N HIS A 59 -6.853 -3.169 3.139 1.00 0.43 N ATOM 1035 CA HIS A 59 -7.119 -2.070 2.216 1.00 0.43 C ATOM 1036 C HIS A 59 -5.990 -1.956 1.208 1.00 0.42 C ATOM 1037 O HIS A 59 -6.224 -1.874 0.001 1.00 0.44 O ATOM 1038 CB HIS A 59 -7.293 -0.736 2.951 1.00 0.40 C ATOM 1039 CG HIS A 59 -8.604 -0.586 3.663 1.00 0.48 C ATOM 1040 ND1 HIS A 59 -9.826 -0.709 3.032 1.00 0.72 N ATOM 1041 CD2 HIS A 59 -8.881 -0.305 4.959 1.00 0.42 C ATOM 1042 CE1 HIS A 59 -10.792 -0.509 3.911 1.00 0.77 C ATOM 1043 NE2 HIS A 59 -10.244 -0.263 5.086 1.00 0.57 N ATOM 0 H HIS A 59 -6.533 -2.882 4.064 1.00 0.43 H new ATOM 0 HA HIS A 59 -8.054 -2.291 1.701 1.00 0.43 H new ATOM 0 HB2 HIS A 59 -6.486 -0.626 3.675 1.00 0.40 H new ATOM 0 HB3 HIS A 59 -7.189 0.077 2.232 1.00 0.40 H new ATOM 0 HD2 HIS A 59 -8.160 -0.144 5.747 1.00 0.42 H new ATOM 0 HE1 HIS A 59 -11.851 -0.541 3.703 1.00 0.77 H new ATOM 0 HE2 HIS A 59 -10.753 -0.072 5.949 1.00 0.57 H new ATOM 1052 N LEU A 60 -4.761 -1.940 1.713 1.00 0.40 N ATOM 1053 CA LEU A 60 -3.580 -1.989 0.883 1.00 0.40 C ATOM 1054 C LEU A 60 -3.580 -3.228 0.000 1.00 0.43 C ATOM 1055 O LEU A 60 -3.104 -3.194 -1.129 1.00 0.43 O ATOM 1056 CB LEU A 60 -2.327 -1.976 1.751 1.00 0.39 C ATOM 1057 CG LEU A 60 -1.954 -0.602 2.284 1.00 0.38 C ATOM 1058 CD1 LEU A 60 -2.970 -0.104 3.274 1.00 0.62 C ATOM 1059 CD2 LEU A 60 -0.556 -0.608 2.886 1.00 0.59 C ATOM 0 H LEU A 60 -4.564 -1.892 2.713 1.00 0.40 H new ATOM 0 HA LEU A 60 -3.585 -1.109 0.240 1.00 0.40 H new ATOM 0 HB2 LEU A 60 -2.474 -2.652 2.593 1.00 0.39 H new ATOM 0 HB3 LEU A 60 -1.492 -2.367 1.170 1.00 0.39 H new ATOM 0 HG LEU A 60 -1.951 0.089 1.441 1.00 0.38 H new ATOM 0 HD11 LEU A 60 -2.673 0.881 3.636 1.00 0.62 H new ATOM 0 HD12 LEU A 60 -3.945 -0.035 2.791 1.00 0.62 H new ATOM 0 HD13 LEU A 60 -3.029 -0.796 4.114 1.00 0.62 H new ATOM 0 HD21 LEU A 60 -0.316 0.388 3.259 1.00 0.59 H new ATOM 0 HD22 LEU A 60 -0.517 -1.323 3.708 1.00 0.59 H new ATOM 0 HD23 LEU A 60 0.168 -0.893 2.123 1.00 0.59 H new ATOM 1071 N LYS A 61 -4.125 -4.318 0.522 1.00 0.46 N ATOM 1072 CA LYS A 61 -4.159 -5.578 -0.201 1.00 0.50 C ATOM 1073 C LYS A 61 -5.122 -5.470 -1.369 1.00 0.53 C ATOM 1074 O LYS A 61 -4.782 -5.831 -2.492 1.00 0.56 O ATOM 1075 CB LYS A 61 -4.572 -6.711 0.737 1.00 0.51 C ATOM 1076 CG LYS A 61 -4.027 -8.070 0.341 1.00 0.57 C ATOM 1077 CD LYS A 61 -4.387 -9.128 1.372 1.00 0.57 C ATOM 1078 CE LYS A 61 -3.702 -8.872 2.707 1.00 0.59 C ATOM 1079 NZ LYS A 61 -4.120 -9.847 3.749 1.00 0.67 N ATOM 0 H LYS A 61 -4.551 -4.353 1.448 1.00 0.46 H new ATOM 0 HA LYS A 61 -3.164 -5.800 -0.587 1.00 0.50 H new ATOM 0 HB2 LYS A 61 -4.233 -6.475 1.746 1.00 0.51 H new ATOM 0 HB3 LYS A 61 -5.660 -6.763 0.770 1.00 0.51 H new ATOM 0 HG2 LYS A 61 -4.427 -8.356 -0.632 1.00 0.57 H new ATOM 0 HG3 LYS A 61 -2.943 -8.014 0.237 1.00 0.57 H new ATOM 0 HD2 LYS A 61 -5.467 -9.144 1.515 1.00 0.57 H new ATOM 0 HD3 LYS A 61 -4.101 -10.111 0.999 1.00 0.57 H new ATOM 0 HE2 LYS A 61 -2.621 -8.925 2.575 1.00 0.59 H new ATOM 0 HE3 LYS A 61 -3.933 -7.861 3.044 1.00 0.59 H new ATOM 0 HZ1 LYS A 61 -3.341 -9.991 4.423 1.00 0.67 H new ATOM 0 HZ2 LYS A 61 -4.951 -9.480 4.255 1.00 0.67 H new ATOM 0 HZ3 LYS A 61 -4.361 -10.753 3.300 1.00 0.67 H new ATOM 1093 N GLY A 62 -6.326 -4.970 -1.103 1.00 0.53 N ATOM 1094 CA GLY A 62 -7.263 -4.676 -2.168 1.00 0.56 C ATOM 1095 C GLY A 62 -6.699 -3.660 -3.143 1.00 0.55 C ATOM 1096 O GLY A 62 -6.993 -3.702 -4.338 1.00 0.59 O ATOM 0 H GLY A 62 -6.668 -4.763 -0.165 1.00 0.53 H new ATOM 0 HA2 GLY A 62 -7.509 -5.595 -2.701 1.00 0.56 H new ATOM 0 HA3 GLY A 62 -8.191 -4.296 -1.742 1.00 0.56 H new ATOM 1100 N GLY A 63 -5.902 -2.731 -2.627 1.00 0.50 N ATOM 1101 CA GLY A 63 -5.175 -1.804 -3.475 1.00 0.49 C ATOM 1102 C GLY A 63 -4.182 -2.519 -4.366 1.00 0.49 C ATOM 1103 O GLY A 63 -4.077 -2.227 -5.555 1.00 0.50 O ATOM 0 H GLY A 63 -5.746 -2.603 -1.627 1.00 0.50 H new ATOM 0 HA2 GLY A 63 -5.880 -1.245 -4.091 1.00 0.49 H new ATOM 0 HA3 GLY A 63 -4.650 -1.078 -2.854 1.00 0.49 H new ATOM 1107 N CYS A 64 -3.458 -3.463 -3.787 1.00 0.51 N ATOM 1108 CA CYS A 64 -2.535 -4.299 -4.537 1.00 0.55 C ATOM 1109 C CYS A 64 -3.304 -5.158 -5.538 1.00 0.56 C ATOM 1110 O CYS A 64 -2.826 -5.454 -6.631 1.00 0.56 O ATOM 1111 CB CYS A 64 -1.747 -5.191 -3.582 1.00 0.68 C ATOM 1112 SG CYS A 64 -0.472 -6.198 -4.396 1.00 1.13 S ATOM 0 H CYS A 64 -3.493 -3.671 -2.789 1.00 0.51 H new ATOM 0 HA CYS A 64 -1.839 -3.659 -5.080 1.00 0.55 H new ATOM 0 HB2 CYS A 64 -1.274 -4.566 -2.825 1.00 0.68 H new ATOM 0 HB3 CYS A 64 -2.441 -5.852 -3.062 1.00 0.68 H new ATOM 1117 N ARG A 65 -4.510 -5.540 -5.146 1.00 0.62 N ATOM 1118 CA ARG A 65 -5.417 -6.278 -6.008 1.00 0.67 C ATOM 1119 C ARG A 65 -5.831 -5.419 -7.204 1.00 0.65 C ATOM 1120 O ARG A 65 -6.255 -5.932 -8.238 1.00 0.79 O ATOM 1121 CB ARG A 65 -6.641 -6.711 -5.191 1.00 0.76 C ATOM 1122 CG ARG A 65 -7.677 -7.506 -5.965 1.00 0.86 C ATOM 1123 CD ARG A 65 -8.849 -7.880 -5.074 1.00 1.49 C ATOM 1124 NE ARG A 65 -9.898 -8.582 -5.809 1.00 2.07 N ATOM 1125 CZ ARG A 65 -10.936 -9.176 -5.226 1.00 2.91 C ATOM 1126 NH1 ARG A 65 -11.066 -9.139 -3.907 1.00 3.31 N ATOM 1127 NH2 ARG A 65 -11.848 -9.796 -5.963 1.00 3.80 N ATOM 0 H ARG A 65 -4.887 -5.346 -4.218 1.00 0.62 H new ATOM 0 HA ARG A 65 -4.916 -7.165 -6.396 1.00 0.67 H new ATOM 0 HB2 ARG A 65 -6.302 -7.310 -4.345 1.00 0.76 H new ATOM 0 HB3 ARG A 65 -7.119 -5.822 -4.781 1.00 0.76 H new ATOM 0 HG2 ARG A 65 -8.032 -6.920 -6.813 1.00 0.86 H new ATOM 0 HG3 ARG A 65 -7.220 -8.409 -6.370 1.00 0.86 H new ATOM 0 HD2 ARG A 65 -8.496 -8.510 -4.257 1.00 1.49 H new ATOM 0 HD3 ARG A 65 -9.264 -6.978 -4.624 1.00 1.49 H new ATOM 0 HE ARG A 65 -9.831 -8.619 -6.826 1.00 2.07 H new ATOM 0 HH11 ARG A 65 -10.370 -8.655 -3.339 1.00 3.31 H new ATOM 0 HH12 ARG A 65 -11.862 -9.594 -3.460 1.00 3.31 H new ATOM 0 HH21 ARG A 65 -11.754 -9.818 -6.978 1.00 3.80 H new ATOM 0 HH22 ARG A 65 -12.643 -10.251 -5.514 1.00 3.80 H new ATOM 1141 N GLU A 66 -5.687 -4.108 -7.065 1.00 0.55 N ATOM 1142 CA GLU A 66 -5.975 -3.190 -8.151 1.00 0.55 C ATOM 1143 C GLU A 66 -4.727 -2.966 -8.990 1.00 0.48 C ATOM 1144 O GLU A 66 -4.792 -2.934 -10.218 1.00 0.47 O ATOM 1145 CB GLU A 66 -6.478 -1.848 -7.616 1.00 0.62 C ATOM 1146 CG GLU A 66 -7.857 -1.917 -6.988 1.00 0.75 C ATOM 1147 CD GLU A 66 -8.944 -2.232 -7.997 1.00 1.27 C ATOM 1148 OE1 GLU A 66 -9.492 -1.293 -8.606 1.00 1.61 O ATOM 1149 OE2 GLU A 66 -9.252 -3.427 -8.188 1.00 2.02 O ATOM 0 H GLU A 66 -5.371 -3.658 -6.206 1.00 0.55 H new ATOM 0 HA GLU A 66 -6.756 -3.633 -8.769 1.00 0.55 H new ATOM 0 HB2 GLU A 66 -5.770 -1.474 -6.876 1.00 0.62 H new ATOM 0 HB3 GLU A 66 -6.497 -1.126 -8.432 1.00 0.62 H new ATOM 0 HG2 GLU A 66 -7.859 -2.679 -6.208 1.00 0.75 H new ATOM 0 HG3 GLU A 66 -8.080 -0.966 -6.505 1.00 0.75 H new ATOM 1156 N ILE A 67 -3.591 -2.812 -8.317 1.00 0.47 N ATOM 1157 CA ILE A 67 -2.346 -2.533 -9.010 1.00 0.47 C ATOM 1158 C ILE A 67 -1.688 -3.802 -9.512 1.00 0.45 C ATOM 1159 O ILE A 67 -1.702 -4.076 -10.703 1.00 0.45 O ATOM 1160 CB ILE A 67 -1.323 -1.799 -8.118 1.00 0.58 C ATOM 1161 CG1 ILE A 67 -1.890 -0.460 -7.640 1.00 0.67 C ATOM 1162 CG2 ILE A 67 -0.011 -1.598 -8.880 1.00 0.60 C ATOM 1163 CD1 ILE A 67 -1.010 0.247 -6.631 1.00 0.81 C ATOM 0 H ILE A 67 -3.510 -2.876 -7.302 1.00 0.47 H new ATOM 0 HA ILE A 67 -2.623 -1.892 -9.847 1.00 0.47 H new ATOM 0 HB ILE A 67 -1.120 -2.410 -7.238 1.00 0.58 H new ATOM 0 HG12 ILE A 67 -2.036 0.191 -8.502 1.00 0.67 H new ATOM 0 HG13 ILE A 67 -2.872 -0.628 -7.198 1.00 0.67 H new ATOM 0 HG21 ILE A 67 0.704 -1.079 -8.242 1.00 0.60 H new ATOM 0 HG22 ILE A 67 0.395 -2.568 -9.167 1.00 0.60 H new ATOM 0 HG23 ILE A 67 -0.197 -1.004 -9.775 1.00 0.60 H new ATOM 0 HD11 ILE A 67 -1.476 1.188 -6.338 1.00 0.81 H new ATOM 0 HD12 ILE A 67 -0.885 -0.385 -5.752 1.00 0.81 H new ATOM 0 HD13 ILE A 67 -0.035 0.448 -7.076 1.00 0.81 H new ATOM 1175 N LEU A 68 -1.148 -4.584 -8.588 1.00 0.61 N ATOM 1176 CA LEU A 68 -0.288 -5.701 -8.936 1.00 0.80 C ATOM 1177 C LEU A 68 -1.053 -6.761 -9.703 1.00 0.82 C ATOM 1178 O LEU A 68 -0.573 -7.267 -10.715 1.00 0.88 O ATOM 1179 CB LEU A 68 0.325 -6.323 -7.682 1.00 1.12 C ATOM 1180 CG LEU A 68 1.480 -7.293 -7.939 1.00 1.34 C ATOM 1181 CD1 LEU A 68 2.742 -6.525 -8.300 1.00 1.58 C ATOM 1182 CD2 LEU A 68 1.722 -8.182 -6.728 1.00 1.71 C ATOM 0 H LEU A 68 -1.293 -4.462 -7.586 1.00 0.61 H new ATOM 0 HA LEU A 68 0.509 -5.315 -9.571 1.00 0.80 H new ATOM 0 HB2 LEU A 68 0.681 -5.522 -7.034 1.00 1.12 H new ATOM 0 HB3 LEU A 68 -0.458 -6.850 -7.137 1.00 1.12 H new ATOM 0 HG LEU A 68 1.210 -7.934 -8.778 1.00 1.34 H new ATOM 0 HD11 LEU A 68 3.556 -7.227 -8.480 1.00 1.58 H new ATOM 0 HD12 LEU A 68 2.565 -5.936 -9.200 1.00 1.58 H new ATOM 0 HD13 LEU A 68 3.011 -5.861 -7.479 1.00 1.58 H new ATOM 0 HD21 LEU A 68 2.548 -8.863 -6.935 1.00 1.71 H new ATOM 0 HD22 LEU A 68 1.970 -7.563 -5.866 1.00 1.71 H new ATOM 0 HD23 LEU A 68 0.822 -8.758 -6.514 1.00 1.71 H new ATOM 1194 N LYS A 69 -2.199 -7.142 -9.164 1.00 0.95 N ATOM 1195 CA LYS A 69 -3.011 -8.141 -9.828 1.00 1.24 C ATOM 1196 C LYS A 69 -3.166 -7.772 -11.311 1.00 1.20 C ATOM 1197 O LYS A 69 -2.538 -8.388 -12.162 1.00 1.61 O ATOM 1198 CB LYS A 69 -4.376 -8.221 -9.125 1.00 1.39 C ATOM 1199 CG LYS A 69 -5.427 -9.038 -9.859 1.00 1.43 C ATOM 1200 CD LYS A 69 -6.771 -8.974 -9.150 1.00 1.50 C ATOM 1201 CE LYS A 69 -7.821 -9.844 -9.827 1.00 1.68 C ATOM 1202 NZ LYS A 69 -7.558 -11.296 -9.641 1.00 2.22 N ATOM 0 H LYS A 69 -2.580 -6.783 -8.288 1.00 0.95 H new ATOM 0 HA LYS A 69 -2.534 -9.119 -9.772 1.00 1.24 H new ATOM 0 HB2 LYS A 69 -4.233 -8.648 -8.132 1.00 1.39 H new ATOM 0 HB3 LYS A 69 -4.756 -7.209 -8.985 1.00 1.39 H new ATOM 0 HG2 LYS A 69 -5.533 -8.667 -10.878 1.00 1.43 H new ATOM 0 HG3 LYS A 69 -5.100 -10.075 -9.930 1.00 1.43 H new ATOM 0 HD2 LYS A 69 -6.649 -9.294 -8.115 1.00 1.50 H new ATOM 0 HD3 LYS A 69 -7.118 -7.941 -9.126 1.00 1.50 H new ATOM 0 HE2 LYS A 69 -8.805 -9.601 -9.425 1.00 1.68 H new ATOM 0 HE3 LYS A 69 -7.847 -9.615 -10.892 1.00 1.68 H new ATOM 0 HZ1 LYS A 69 -8.351 -11.845 -10.031 1.00 2.22 H new ATOM 0 HZ2 LYS A 69 -6.681 -11.556 -10.135 1.00 2.22 H new ATOM 0 HZ3 LYS A 69 -7.459 -11.504 -8.627 1.00 2.22 H new ATOM 1216 N HIS A 70 -4.032 -6.815 -11.613 1.00 1.05 N ATOM 1217 CA HIS A 70 -4.083 -6.138 -12.926 1.00 1.16 C ATOM 1218 C HIS A 70 -2.714 -5.921 -13.623 1.00 0.91 C ATOM 1219 O HIS A 70 -2.637 -5.991 -14.846 1.00 0.89 O ATOM 1220 CB HIS A 70 -4.777 -4.781 -12.702 1.00 1.41 C ATOM 1221 CG HIS A 70 -4.423 -3.678 -13.666 1.00 1.41 C ATOM 1222 ND1 HIS A 70 -5.277 -3.246 -14.655 1.00 1.59 N ATOM 1223 CD2 HIS A 70 -3.326 -2.874 -13.742 1.00 1.49 C ATOM 1224 CE1 HIS A 70 -4.732 -2.230 -15.292 1.00 1.76 C ATOM 1225 NE2 HIS A 70 -3.551 -1.983 -14.759 1.00 1.74 N ATOM 0 H HIS A 70 -4.732 -6.474 -10.954 1.00 1.05 H new ATOM 0 HA HIS A 70 -4.626 -6.793 -13.607 1.00 1.16 H new ATOM 0 HB2 HIS A 70 -5.855 -4.938 -12.744 1.00 1.41 H new ATOM 0 HB3 HIS A 70 -4.543 -4.441 -11.693 1.00 1.41 H new ATOM 0 HD2 HIS A 70 -2.446 -2.928 -13.119 1.00 1.49 H new ATOM 0 HE1 HIS A 70 -5.178 -1.689 -16.114 1.00 1.76 H new ATOM 0 HE2 HIS A 70 -2.909 -1.248 -15.056 1.00 1.74 H new ATOM 1234 N VAL A 71 -1.658 -5.625 -12.880 1.00 0.76 N ATOM 1235 CA VAL A 71 -0.372 -5.292 -13.488 1.00 0.69 C ATOM 1236 C VAL A 71 0.295 -6.521 -14.127 1.00 0.52 C ATOM 1237 O VAL A 71 0.899 -6.416 -15.189 1.00 0.59 O ATOM 1238 CB VAL A 71 0.536 -4.575 -12.462 1.00 0.81 C ATOM 1239 CG1 VAL A 71 1.487 -5.486 -11.742 1.00 1.01 C ATOM 1240 CG2 VAL A 71 1.294 -3.468 -13.116 1.00 1.46 C ATOM 0 H VAL A 71 -1.662 -5.608 -11.860 1.00 0.76 H new ATOM 0 HA VAL A 71 -0.546 -4.596 -14.308 1.00 0.69 H new ATOM 0 HB VAL A 71 -0.139 -4.175 -11.705 1.00 0.81 H new ATOM 0 HG11 VAL A 71 2.087 -4.905 -11.041 1.00 1.01 H new ATOM 0 HG12 VAL A 71 0.923 -6.243 -11.197 1.00 1.01 H new ATOM 0 HG13 VAL A 71 2.142 -5.972 -12.465 1.00 1.01 H new ATOM 0 HG21 VAL A 71 1.927 -2.975 -12.378 1.00 1.46 H new ATOM 0 HG22 VAL A 71 1.915 -3.874 -13.914 1.00 1.46 H new ATOM 0 HG23 VAL A 71 0.594 -2.745 -13.534 1.00 1.46 H new ATOM 1250 N VAL A 72 0.178 -7.683 -13.499 1.00 0.44 N ATOM 1251 CA VAL A 72 0.500 -8.935 -14.186 1.00 0.46 C ATOM 1252 C VAL A 72 -0.749 -9.421 -14.927 1.00 0.47 C ATOM 1253 O VAL A 72 -0.695 -10.395 -15.682 1.00 0.64 O ATOM 1254 CB VAL A 72 1.009 -10.017 -13.211 1.00 0.52 C ATOM 1255 CG1 VAL A 72 -0.118 -10.611 -12.378 1.00 0.74 C ATOM 1256 CG2 VAL A 72 1.775 -11.080 -13.965 1.00 0.80 C ATOM 0 H VAL A 72 -0.131 -7.790 -12.533 1.00 0.44 H new ATOM 0 HA VAL A 72 1.308 -8.748 -14.893 1.00 0.46 H new ATOM 0 HB VAL A 72 1.691 -9.543 -12.505 1.00 0.52 H new ATOM 0 HG11 VAL A 72 0.286 -11.368 -11.706 1.00 0.74 H new ATOM 0 HG12 VAL A 72 -0.593 -9.823 -11.793 1.00 0.74 H new ATOM 0 HG13 VAL A 72 -0.856 -11.068 -13.037 1.00 0.74 H new ATOM 0 HG21 VAL A 72 2.129 -11.838 -13.266 1.00 0.80 H new ATOM 0 HG22 VAL A 72 1.122 -11.544 -14.704 1.00 0.80 H new ATOM 0 HG23 VAL A 72 2.627 -10.625 -14.470 1.00 0.80 H new ATOM 1266 N GLY A 73 -1.858 -8.746 -14.726 1.00 0.45 N ATOM 1267 CA GLY A 73 -3.040 -9.023 -15.514 1.00 0.48 C ATOM 1268 C GLY A 73 -3.985 -9.986 -14.839 1.00 0.50 C ATOM 1269 O GLY A 73 -3.602 -10.723 -13.924 1.00 0.55 O ATOM 0 H GLY A 73 -1.968 -8.008 -14.031 1.00 0.45 H new ATOM 0 HA2 GLY A 73 -3.564 -8.088 -15.714 1.00 0.48 H new ATOM 0 HA3 GLY A 73 -2.740 -9.433 -16.478 1.00 0.48 H new ATOM 1273 N GLU A 74 -5.226 -9.995 -15.307 1.00 0.54 N ATOM 1274 CA GLU A 74 -6.257 -10.850 -14.742 1.00 0.58 C ATOM 1275 C GLU A 74 -5.980 -12.324 -15.024 1.00 0.53 C ATOM 1276 O GLU A 74 -6.595 -13.196 -14.421 1.00 0.60 O ATOM 1277 CB GLU A 74 -7.630 -10.458 -15.283 1.00 0.69 C ATOM 1278 CG GLU A 74 -7.709 -10.483 -16.794 1.00 1.45 C ATOM 1279 CD GLU A 74 -9.067 -10.067 -17.313 1.00 1.80 C ATOM 1280 OE1 GLU A 74 -9.349 -8.851 -17.347 1.00 2.10 O ATOM 1281 OE2 GLU A 74 -9.860 -10.954 -17.689 1.00 2.31 O ATOM 0 H GLU A 74 -5.543 -9.414 -16.083 1.00 0.54 H new ATOM 0 HA GLU A 74 -6.247 -10.709 -13.661 1.00 0.58 H new ATOM 0 HB2 GLU A 74 -8.380 -11.136 -14.876 1.00 0.69 H new ATOM 0 HB3 GLU A 74 -7.880 -9.457 -14.930 1.00 0.69 H new ATOM 0 HG2 GLU A 74 -6.948 -9.819 -17.205 1.00 1.45 H new ATOM 0 HG3 GLU A 74 -7.481 -11.488 -17.149 1.00 1.45 H new ATOM 1288 N GLU A 75 -5.072 -12.600 -15.952 1.00 0.54 N ATOM 1289 CA GLU A 75 -4.634 -13.967 -16.203 1.00 0.55 C ATOM 1290 C GLU A 75 -3.832 -14.492 -15.021 1.00 0.53 C ATOM 1291 O GLU A 75 -4.291 -15.354 -14.272 1.00 0.56 O ATOM 1292 CB GLU A 75 -3.804 -14.051 -17.485 1.00 0.58 C ATOM 1293 CG GLU A 75 -3.062 -15.370 -17.633 1.00 0.95 C ATOM 1294 CD GLU A 75 -2.429 -15.540 -18.994 1.00 1.29 C ATOM 1295 OE1 GLU A 75 -1.521 -14.759 -19.333 1.00 2.00 O ATOM 1296 OE2 GLU A 75 -2.842 -16.458 -19.731 1.00 1.31 O ATOM 0 H GLU A 75 -4.626 -11.897 -16.542 1.00 0.54 H new ATOM 0 HA GLU A 75 -5.521 -14.588 -16.331 1.00 0.55 H new ATOM 0 HB2 GLU A 75 -4.460 -13.912 -18.344 1.00 0.58 H new ATOM 0 HB3 GLU A 75 -3.084 -13.233 -17.498 1.00 0.58 H new ATOM 0 HG2 GLU A 75 -2.288 -15.433 -16.868 1.00 0.95 H new ATOM 0 HG3 GLU A 75 -3.755 -16.193 -17.455 1.00 0.95 H new ATOM 1303 N LYS A 76 -2.636 -13.942 -14.854 1.00 0.50 N ATOM 1304 CA LYS A 76 -1.655 -14.492 -13.942 1.00 0.51 C ATOM 1305 C LYS A 76 -2.121 -14.417 -12.504 1.00 0.55 C ATOM 1306 O LYS A 76 -1.987 -15.381 -11.748 1.00 0.57 O ATOM 1307 CB LYS A 76 -0.327 -13.762 -14.118 1.00 0.47 C ATOM 1308 CG LYS A 76 0.195 -13.815 -15.548 1.00 1.16 C ATOM 1309 CD LYS A 76 0.353 -15.249 -16.033 1.00 1.43 C ATOM 1310 CE LYS A 76 1.402 -16.001 -15.239 1.00 0.71 C ATOM 1311 NZ LYS A 76 1.449 -17.438 -15.610 1.00 1.13 N ATOM 0 H LYS A 76 -2.324 -13.105 -15.347 1.00 0.50 H new ATOM 0 HA LYS A 76 -1.521 -15.547 -14.180 1.00 0.51 H new ATOM 0 HB2 LYS A 76 -0.449 -12.721 -13.820 1.00 0.47 H new ATOM 0 HB3 LYS A 76 0.414 -14.201 -13.450 1.00 0.47 H new ATOM 0 HG2 LYS A 76 -0.490 -13.281 -16.206 1.00 1.16 H new ATOM 0 HG3 LYS A 76 1.156 -13.303 -15.605 1.00 1.16 H new ATOM 0 HD2 LYS A 76 -0.603 -15.767 -15.953 1.00 1.43 H new ATOM 0 HD3 LYS A 76 0.628 -15.247 -17.088 1.00 1.43 H new ATOM 0 HE2 LYS A 76 2.379 -15.550 -15.409 1.00 0.71 H new ATOM 0 HE3 LYS A 76 1.188 -15.907 -14.174 1.00 0.71 H new ATOM 0 HZ1 LYS A 76 2.024 -17.957 -14.916 1.00 1.13 H new ATOM 0 HZ2 LYS A 76 0.484 -17.826 -15.619 1.00 1.13 H new ATOM 0 HZ3 LYS A 76 1.872 -17.539 -16.555 1.00 1.13 H new ATOM 1325 N ALA A 77 -2.677 -13.280 -12.132 1.00 0.57 N ATOM 1326 CA ALA A 77 -3.147 -13.068 -10.777 1.00 0.64 C ATOM 1327 C ALA A 77 -4.315 -13.989 -10.449 1.00 0.65 C ATOM 1328 O ALA A 77 -4.545 -14.316 -9.287 1.00 0.70 O ATOM 1329 CB ALA A 77 -3.543 -11.620 -10.592 1.00 0.68 C ATOM 0 H ALA A 77 -2.815 -12.484 -12.754 1.00 0.57 H new ATOM 0 HA ALA A 77 -2.335 -13.306 -10.089 1.00 0.64 H new ATOM 0 HB1 ALA A 77 -3.895 -11.467 -9.572 1.00 0.68 H new ATOM 0 HB2 ALA A 77 -2.680 -10.980 -10.778 1.00 0.68 H new ATOM 0 HB3 ALA A 77 -4.339 -11.368 -11.293 1.00 0.68 H new ATOM 1335 N ALA A 78 -5.047 -14.408 -11.474 1.00 0.63 N ATOM 1336 CA ALA A 78 -6.137 -15.348 -11.292 1.00 0.67 C ATOM 1337 C ALA A 78 -5.578 -16.716 -10.958 1.00 0.67 C ATOM 1338 O ALA A 78 -6.071 -17.405 -10.067 1.00 0.73 O ATOM 1339 CB ALA A 78 -6.984 -15.421 -12.549 1.00 0.66 C ATOM 0 H ALA A 78 -4.903 -14.109 -12.439 1.00 0.63 H new ATOM 0 HA ALA A 78 -6.767 -15.008 -10.470 1.00 0.67 H new ATOM 0 HB1 ALA A 78 -7.798 -16.130 -12.398 1.00 0.66 H new ATOM 0 HB2 ALA A 78 -7.396 -14.436 -12.768 1.00 0.66 H new ATOM 0 HB3 ALA A 78 -6.367 -15.750 -13.385 1.00 0.66 H new ATOM 1345 N GLU A 79 -4.520 -17.081 -11.667 1.00 0.62 N ATOM 1346 CA GLU A 79 -3.858 -18.355 -11.457 1.00 0.65 C ATOM 1347 C GLU A 79 -3.223 -18.400 -10.075 1.00 0.66 C ATOM 1348 O GLU A 79 -3.204 -19.437 -9.427 1.00 0.67 O ATOM 1349 CB GLU A 79 -2.781 -18.571 -12.522 1.00 0.65 C ATOM 1350 CG GLU A 79 -3.249 -18.281 -13.933 1.00 0.85 C ATOM 1351 CD GLU A 79 -2.193 -18.599 -14.970 1.00 0.87 C ATOM 1352 OE1 GLU A 79 -1.053 -18.094 -14.845 1.00 1.33 O ATOM 1353 OE2 GLU A 79 -2.498 -19.339 -15.927 1.00 1.26 O ATOM 0 H GLU A 79 -4.101 -16.506 -12.398 1.00 0.62 H new ATOM 0 HA GLU A 79 -4.603 -19.147 -11.533 1.00 0.65 H new ATOM 0 HB2 GLU A 79 -1.926 -17.934 -12.295 1.00 0.65 H new ATOM 0 HB3 GLU A 79 -2.433 -19.603 -12.469 1.00 0.65 H new ATOM 0 HG2 GLU A 79 -4.146 -18.864 -14.142 1.00 0.85 H new ATOM 0 HG3 GLU A 79 -3.526 -17.230 -14.012 1.00 0.85 H new ATOM 1360 N LEU A 80 -2.746 -17.246 -9.619 1.00 0.66 N ATOM 1361 CA LEU A 80 -2.150 -17.116 -8.297 1.00 0.70 C ATOM 1362 C LEU A 80 -3.218 -17.147 -7.212 1.00 0.74 C ATOM 1363 O LEU A 80 -3.044 -17.785 -6.174 1.00 0.80 O ATOM 1364 CB LEU A 80 -1.360 -15.817 -8.226 1.00 0.71 C ATOM 1365 CG LEU A 80 -0.189 -15.746 -9.198 1.00 0.66 C ATOM 1366 CD1 LEU A 80 0.306 -14.321 -9.331 1.00 0.97 C ATOM 1367 CD2 LEU A 80 0.928 -16.665 -8.738 1.00 0.98 C ATOM 0 H LEU A 80 -2.762 -16.378 -10.155 1.00 0.66 H new ATOM 0 HA LEU A 80 -1.480 -17.959 -8.128 1.00 0.70 H new ATOM 0 HB2 LEU A 80 -2.034 -14.983 -8.424 1.00 0.71 H new ATOM 0 HB3 LEU A 80 -0.984 -15.688 -7.211 1.00 0.71 H new ATOM 0 HG LEU A 80 -0.527 -16.078 -10.179 1.00 0.66 H new ATOM 0 HD11 LEU A 80 1.142 -14.290 -10.029 1.00 0.97 H new ATOM 0 HD12 LEU A 80 -0.500 -13.689 -9.703 1.00 0.97 H new ATOM 0 HD13 LEU A 80 0.633 -13.957 -8.357 1.00 0.97 H new ATOM 0 HD21 LEU A 80 1.760 -16.606 -9.440 1.00 0.98 H new ATOM 0 HD22 LEU A 80 1.266 -16.359 -7.748 1.00 0.98 H new ATOM 0 HD23 LEU A 80 0.561 -17.690 -8.695 1.00 0.98 H new ATOM 1379 N LYS A 81 -4.322 -16.455 -7.459 1.00 0.74 N ATOM 1380 CA LYS A 81 -5.438 -16.440 -6.526 1.00 0.79 C ATOM 1381 C LYS A 81 -6.006 -17.848 -6.399 1.00 0.77 C ATOM 1382 O LYS A 81 -6.278 -18.326 -5.295 1.00 0.79 O ATOM 1383 CB LYS A 81 -6.512 -15.454 -7.009 1.00 0.83 C ATOM 1384 CG LYS A 81 -7.541 -15.052 -5.955 1.00 1.18 C ATOM 1385 CD LYS A 81 -8.562 -16.149 -5.681 1.00 1.34 C ATOM 1386 CE LYS A 81 -9.670 -15.666 -4.758 1.00 1.68 C ATOM 1387 NZ LYS A 81 -10.410 -14.511 -5.333 1.00 2.12 N ATOM 0 H LYS A 81 -4.468 -15.896 -8.300 1.00 0.74 H new ATOM 0 HA LYS A 81 -5.095 -16.111 -5.545 1.00 0.79 H new ATOM 0 HB2 LYS A 81 -6.019 -14.554 -7.375 1.00 0.83 H new ATOM 0 HB3 LYS A 81 -7.036 -15.897 -7.856 1.00 0.83 H new ATOM 0 HG2 LYS A 81 -7.026 -14.801 -5.028 1.00 1.18 H new ATOM 0 HG3 LYS A 81 -8.060 -14.152 -6.285 1.00 1.18 H new ATOM 0 HD2 LYS A 81 -8.994 -16.488 -6.623 1.00 1.34 H new ATOM 0 HD3 LYS A 81 -8.063 -17.008 -5.232 1.00 1.34 H new ATOM 0 HE2 LYS A 81 -10.365 -16.484 -4.567 1.00 1.68 H new ATOM 0 HE3 LYS A 81 -9.243 -15.381 -3.797 1.00 1.68 H new ATOM 0 HZ1 LYS A 81 -11.336 -14.426 -4.868 1.00 2.12 H new ATOM 0 HZ2 LYS A 81 -9.865 -13.639 -5.181 1.00 2.12 H new ATOM 0 HZ3 LYS A 81 -10.547 -14.660 -6.353 1.00 2.12 H new ATOM 1401 N ASN A 82 -6.167 -18.515 -7.536 1.00 0.75 N ATOM 1402 CA ASN A 82 -6.665 -19.883 -7.546 1.00 0.75 C ATOM 1403 C ASN A 82 -5.625 -20.813 -6.935 1.00 0.74 C ATOM 1404 O ASN A 82 -5.983 -21.759 -6.240 1.00 0.80 O ATOM 1405 CB ASN A 82 -7.020 -20.321 -8.967 1.00 0.73 C ATOM 1406 CG ASN A 82 -7.648 -21.701 -9.020 1.00 0.87 C ATOM 1407 OD1 ASN A 82 -6.952 -22.710 -9.115 1.00 1.42 O ATOM 1408 ND2 ASN A 82 -8.969 -21.751 -8.978 1.00 1.54 N ATOM 0 H ASN A 82 -5.961 -18.132 -8.458 1.00 0.75 H new ATOM 0 HA ASN A 82 -7.575 -19.932 -6.948 1.00 0.75 H new ATOM 0 HB2 ASN A 82 -7.708 -19.597 -9.404 1.00 0.73 H new ATOM 0 HB3 ASN A 82 -6.119 -20.314 -9.580 1.00 0.73 H new ATOM 0 HD21 ASN A 82 -9.447 -22.651 -9.025 1.00 1.54 H new ATOM 0 HD22 ASN A 82 -9.510 -20.890 -8.899 1.00 1.54 H new ATOM 1415 N LEU A 83 -4.344 -20.552 -7.187 1.00 0.72 N ATOM 1416 CA LEU A 83 -3.288 -21.292 -6.533 1.00 0.72 C ATOM 1417 C LEU A 83 -3.487 -21.251 -5.024 1.00 0.74 C ATOM 1418 O LEU A 83 -3.521 -22.288 -4.363 1.00 0.77 O ATOM 1419 CB LEU A 83 -1.930 -20.697 -6.887 1.00 0.75 C ATOM 1420 CG LEU A 83 -0.971 -21.661 -7.568 1.00 0.73 C ATOM 1421 CD1 LEU A 83 -1.187 -21.671 -9.072 1.00 1.05 C ATOM 1422 CD2 LEU A 83 0.471 -21.325 -7.223 1.00 1.37 C ATOM 0 H LEU A 83 -4.022 -19.836 -7.838 1.00 0.72 H new ATOM 0 HA LEU A 83 -3.321 -22.327 -6.874 1.00 0.72 H new ATOM 0 HB2 LEU A 83 -2.084 -19.838 -7.540 1.00 0.75 H new ATOM 0 HB3 LEU A 83 -1.463 -20.325 -5.975 1.00 0.75 H new ATOM 0 HG LEU A 83 -1.179 -22.664 -7.195 1.00 0.73 H new ATOM 0 HD11 LEU A 83 -0.489 -22.368 -9.535 1.00 1.05 H new ATOM 0 HD12 LEU A 83 -2.209 -21.981 -9.291 1.00 1.05 H new ATOM 0 HD13 LEU A 83 -1.019 -20.671 -9.470 1.00 1.05 H new ATOM 0 HD21 LEU A 83 1.138 -22.028 -7.722 1.00 1.37 H new ATOM 0 HD22 LEU A 83 0.698 -20.312 -7.555 1.00 1.37 H new ATOM 0 HD23 LEU A 83 0.613 -21.394 -6.144 1.00 1.37 H new ATOM 1434 N LYS A 84 -3.640 -20.042 -4.497 1.00 0.76 N ATOM 1435 CA LYS A 84 -3.855 -19.832 -3.071 1.00 0.81 C ATOM 1436 C LYS A 84 -5.055 -20.635 -2.570 1.00 0.83 C ATOM 1437 O LYS A 84 -4.928 -21.446 -1.653 1.00 0.87 O ATOM 1438 CB LYS A 84 -4.059 -18.342 -2.795 1.00 0.88 C ATOM 1439 CG LYS A 84 -4.200 -17.998 -1.322 1.00 0.96 C ATOM 1440 CD LYS A 84 -4.340 -16.498 -1.119 1.00 1.19 C ATOM 1441 CE LYS A 84 -4.490 -16.147 0.352 1.00 1.54 C ATOM 1442 NZ LYS A 84 -4.573 -14.677 0.564 1.00 2.27 N ATOM 0 H LYS A 84 -3.619 -19.182 -5.045 1.00 0.76 H new ATOM 0 HA LYS A 84 -2.973 -20.181 -2.533 1.00 0.81 H new ATOM 0 HB2 LYS A 84 -3.216 -17.788 -3.207 1.00 0.88 H new ATOM 0 HB3 LYS A 84 -4.951 -18.004 -3.323 1.00 0.88 H new ATOM 0 HG2 LYS A 84 -5.071 -18.506 -0.909 1.00 0.96 H new ATOM 0 HG3 LYS A 84 -3.330 -18.362 -0.776 1.00 0.96 H new ATOM 0 HD2 LYS A 84 -3.466 -15.991 -1.528 1.00 1.19 H new ATOM 0 HD3 LYS A 84 -5.207 -16.134 -1.671 1.00 1.19 H new ATOM 0 HE2 LYS A 84 -5.387 -16.623 0.749 1.00 1.54 H new ATOM 0 HE3 LYS A 84 -3.643 -16.547 0.909 1.00 1.54 H new ATOM 0 HZ1 LYS A 84 -4.675 -14.478 1.580 1.00 2.27 H new ATOM 0 HZ2 LYS A 84 -3.707 -14.225 0.208 1.00 2.27 H new ATOM 0 HZ3 LYS A 84 -5.396 -14.298 0.053 1.00 2.27 H new ATOM 1456 N ASP A 85 -6.210 -20.418 -3.192 1.00 0.84 N ATOM 1457 CA ASP A 85 -7.459 -21.067 -2.777 1.00 0.91 C ATOM 1458 C ASP A 85 -7.411 -22.585 -2.936 1.00 0.90 C ATOM 1459 O ASP A 85 -8.066 -23.304 -2.183 1.00 0.94 O ATOM 1460 CB ASP A 85 -8.626 -20.519 -3.592 1.00 0.98 C ATOM 1461 CG ASP A 85 -9.960 -21.086 -3.151 1.00 1.59 C ATOM 1462 OD1 ASP A 85 -10.379 -20.806 -2.007 1.00 1.48 O ATOM 1463 OD2 ASP A 85 -10.587 -21.824 -3.938 1.00 2.52 O ATOM 0 H ASP A 85 -6.311 -19.793 -3.992 1.00 0.84 H new ATOM 0 HA ASP A 85 -7.594 -20.846 -1.718 1.00 0.91 H new ATOM 0 HB2 ASP A 85 -8.649 -19.433 -3.502 1.00 0.98 H new ATOM 0 HB3 ASP A 85 -8.468 -20.748 -4.646 1.00 0.98 H new ATOM 1468 N SER A 86 -6.629 -23.085 -3.878 1.00 0.86 N ATOM 1469 CA SER A 86 -6.540 -24.525 -4.062 1.00 0.90 C ATOM 1470 C SER A 86 -5.536 -25.138 -3.085 1.00 0.84 C ATOM 1471 O SER A 86 -5.390 -26.359 -3.007 1.00 0.96 O ATOM 1472 CB SER A 86 -6.170 -24.870 -5.509 1.00 0.97 C ATOM 1473 OG SER A 86 -5.004 -24.180 -5.923 1.00 1.52 O ATOM 0 H SER A 86 -6.058 -22.530 -4.515 1.00 0.86 H new ATOM 0 HA SER A 86 -7.521 -24.952 -3.853 1.00 0.90 H new ATOM 0 HB2 SER A 86 -6.010 -25.944 -5.599 1.00 0.97 H new ATOM 0 HB3 SER A 86 -6.999 -24.615 -6.169 1.00 0.97 H new ATOM 0 HG SER A 86 -5.258 -23.337 -6.353 1.00 1.52 H new ATOM 1479 N GLY A 87 -4.846 -24.281 -2.346 1.00 0.80 N ATOM 1480 CA GLY A 87 -3.953 -24.746 -1.306 1.00 0.88 C ATOM 1481 C GLY A 87 -2.509 -24.417 -1.596 1.00 0.82 C ATOM 1482 O GLY A 87 -1.642 -25.286 -1.510 1.00 0.92 O ATOM 0 H GLY A 87 -4.890 -23.267 -2.450 1.00 0.80 H new ATOM 0 HA2 GLY A 87 -4.241 -24.296 -0.356 1.00 0.88 H new ATOM 0 HA3 GLY A 87 -4.061 -25.825 -1.194 1.00 0.88 H new ATOM 1486 N ALA A 88 -2.240 -23.174 -1.957 1.00 0.76 N ATOM 1487 CA ALA A 88 -0.866 -22.737 -2.117 1.00 0.76 C ATOM 1488 C ALA A 88 -0.373 -22.137 -0.813 1.00 0.80 C ATOM 1489 O ALA A 88 -1.014 -21.265 -0.221 1.00 0.83 O ATOM 1490 CB ALA A 88 -0.749 -21.725 -3.241 1.00 0.76 C ATOM 0 H ALA A 88 -2.944 -22.460 -2.142 1.00 0.76 H new ATOM 0 HA ALA A 88 -0.249 -23.598 -2.375 1.00 0.76 H new ATOM 0 HB1 ALA A 88 0.290 -21.412 -3.342 1.00 0.76 H new ATOM 0 HB2 ALA A 88 -1.084 -22.177 -4.174 1.00 0.76 H new ATOM 0 HB3 ALA A 88 -1.369 -20.857 -3.015 1.00 0.76 H new ATOM 1496 N SER A 89 0.763 -22.638 -0.372 1.00 0.81 N ATOM 1497 CA SER A 89 1.417 -22.136 0.811 1.00 0.86 C ATOM 1498 C SER A 89 1.965 -20.733 0.566 1.00 0.78 C ATOM 1499 O SER A 89 2.044 -20.295 -0.585 1.00 0.77 O ATOM 1500 CB SER A 89 2.534 -23.093 1.208 1.00 0.93 C ATOM 1501 OG SER A 89 3.371 -23.376 0.102 1.00 1.60 O ATOM 0 H SER A 89 1.256 -23.406 -0.827 1.00 0.81 H new ATOM 0 HA SER A 89 0.695 -22.072 1.625 1.00 0.86 H new ATOM 0 HB2 SER A 89 3.124 -22.656 2.014 1.00 0.93 H new ATOM 0 HB3 SER A 89 2.106 -24.019 1.592 1.00 0.93 H new ATOM 0 HG SER A 89 4.082 -23.991 0.379 1.00 1.60 H new ATOM 1507 N LYS A 90 2.339 -20.033 1.629 1.00 0.76 N ATOM 1508 CA LYS A 90 2.868 -18.675 1.512 1.00 0.74 C ATOM 1509 C LYS A 90 3.993 -18.612 0.474 1.00 0.69 C ATOM 1510 O LYS A 90 4.109 -17.653 -0.285 1.00 0.67 O ATOM 1511 CB LYS A 90 3.362 -18.189 2.883 1.00 0.81 C ATOM 1512 CG LYS A 90 4.133 -16.878 2.846 1.00 1.29 C ATOM 1513 CD LYS A 90 5.638 -17.104 2.734 1.00 1.77 C ATOM 1514 CE LYS A 90 6.242 -17.535 4.062 1.00 2.22 C ATOM 1515 NZ LYS A 90 6.138 -16.460 5.084 1.00 2.96 N ATOM 0 H LYS A 90 2.287 -20.382 2.586 1.00 0.76 H new ATOM 0 HA LYS A 90 2.068 -18.017 1.172 1.00 0.74 H new ATOM 0 HB2 LYS A 90 2.503 -18.073 3.544 1.00 0.81 H new ATOM 0 HB3 LYS A 90 3.999 -18.958 3.320 1.00 0.81 H new ATOM 0 HG2 LYS A 90 3.792 -16.280 2.001 1.00 1.29 H new ATOM 0 HG3 LYS A 90 3.918 -16.305 3.748 1.00 1.29 H new ATOM 0 HD2 LYS A 90 5.837 -17.865 1.980 1.00 1.77 H new ATOM 0 HD3 LYS A 90 6.120 -16.187 2.396 1.00 1.77 H new ATOM 0 HE2 LYS A 90 5.733 -18.430 4.421 1.00 2.22 H new ATOM 0 HE3 LYS A 90 7.289 -17.800 3.917 1.00 2.22 H new ATOM 0 HZ1 LYS A 90 7.001 -16.448 5.664 1.00 2.96 H new ATOM 0 HZ2 LYS A 90 6.027 -15.541 4.611 1.00 2.96 H new ATOM 0 HZ3 LYS A 90 5.314 -16.638 5.693 1.00 2.96 H new ATOM 1529 N GLU A 91 4.794 -19.663 0.439 1.00 0.71 N ATOM 1530 CA GLU A 91 5.928 -19.747 -0.468 1.00 0.70 C ATOM 1531 C GLU A 91 5.507 -19.844 -1.936 1.00 0.67 C ATOM 1532 O GLU A 91 6.194 -19.328 -2.808 1.00 0.67 O ATOM 1533 CB GLU A 91 6.787 -20.952 -0.091 1.00 0.73 C ATOM 1534 CG GLU A 91 7.382 -20.841 1.305 1.00 1.30 C ATOM 1535 CD GLU A 91 8.392 -21.925 1.604 1.00 1.74 C ATOM 1536 OE1 GLU A 91 7.987 -22.998 2.099 1.00 2.34 O ATOM 1537 OE2 GLU A 91 9.592 -21.717 1.335 1.00 2.10 O ATOM 0 H GLU A 91 4.678 -20.481 1.037 1.00 0.71 H new ATOM 0 HA GLU A 91 6.499 -18.825 -0.365 1.00 0.70 H new ATOM 0 HB2 GLU A 91 6.182 -21.857 -0.152 1.00 0.73 H new ATOM 0 HB3 GLU A 91 7.593 -21.059 -0.817 1.00 0.73 H new ATOM 0 HG2 GLU A 91 7.859 -19.867 1.414 1.00 1.30 H new ATOM 0 HG3 GLU A 91 6.579 -20.887 2.041 1.00 1.30 H new ATOM 1544 N GLU A 92 4.384 -20.497 -2.209 1.00 0.66 N ATOM 1545 CA GLU A 92 3.889 -20.662 -3.559 1.00 0.65 C ATOM 1546 C GLU A 92 3.378 -19.336 -4.063 1.00 0.60 C ATOM 1547 O GLU A 92 3.462 -19.021 -5.239 1.00 0.57 O ATOM 1548 CB GLU A 92 2.768 -21.666 -3.548 1.00 0.69 C ATOM 1549 CG GLU A 92 3.197 -23.030 -3.080 1.00 0.74 C ATOM 1550 CD GLU A 92 4.094 -23.731 -4.081 1.00 1.06 C ATOM 1551 OE1 GLU A 92 3.636 -24.004 -5.207 1.00 1.10 O ATOM 1552 OE2 GLU A 92 5.260 -24.019 -3.742 1.00 1.45 O ATOM 0 H GLU A 92 3.794 -20.926 -1.496 1.00 0.66 H new ATOM 0 HA GLU A 92 4.688 -21.014 -4.212 1.00 0.65 H new ATOM 0 HB2 GLU A 92 1.969 -21.302 -2.902 1.00 0.69 H new ATOM 0 HB3 GLU A 92 2.353 -21.748 -4.552 1.00 0.69 H new ATOM 0 HG2 GLU A 92 3.722 -22.936 -2.130 1.00 0.74 H new ATOM 0 HG3 GLU A 92 2.314 -23.642 -2.897 1.00 0.74 H new ATOM 1559 N LEU A 93 2.867 -18.556 -3.139 1.00 0.61 N ATOM 1560 CA LEU A 93 2.563 -17.164 -3.419 1.00 0.60 C ATOM 1561 C LEU A 93 3.886 -16.464 -3.606 1.00 0.61 C ATOM 1562 O LEU A 93 4.049 -15.770 -4.596 1.00 0.64 O ATOM 1563 CB LEU A 93 1.746 -16.559 -2.282 1.00 0.64 C ATOM 1564 CG LEU A 93 0.270 -16.983 -2.226 1.00 0.69 C ATOM 1565 CD1 LEU A 93 -0.513 -16.349 -3.367 1.00 1.08 C ATOM 1566 CD2 LEU A 93 0.101 -18.491 -2.266 1.00 1.07 C ATOM 0 H LEU A 93 2.652 -18.856 -2.188 1.00 0.61 H new ATOM 0 HA LEU A 93 1.955 -17.056 -4.317 1.00 0.60 H new ATOM 0 HB2 LEU A 93 2.218 -16.827 -1.337 1.00 0.64 H new ATOM 0 HB3 LEU A 93 1.791 -15.473 -2.364 1.00 0.64 H new ATOM 0 HG LEU A 93 -0.123 -16.630 -1.273 1.00 0.69 H new ATOM 0 HD11 LEU A 93 -1.556 -16.661 -3.310 1.00 1.08 H new ATOM 0 HD12 LEU A 93 -0.454 -15.263 -3.289 1.00 1.08 H new ATOM 0 HD13 LEU A 93 -0.090 -16.668 -4.320 1.00 1.08 H new ATOM 0 HD21 LEU A 93 -0.959 -18.740 -2.224 1.00 1.07 H new ATOM 0 HD22 LEU A 93 0.529 -18.881 -3.190 1.00 1.07 H new ATOM 0 HD23 LEU A 93 0.612 -18.937 -1.413 1.00 1.07 H new ATOM 1578 N LYS A 94 4.850 -16.637 -2.729 1.00 0.61 N ATOM 1579 CA LYS A 94 6.011 -15.765 -2.749 1.00 0.61 C ATOM 1580 C LYS A 94 6.858 -16.032 -3.976 1.00 0.66 C ATOM 1581 O LYS A 94 7.452 -15.122 -4.549 1.00 0.72 O ATOM 1582 CB LYS A 94 6.838 -15.944 -1.476 1.00 0.64 C ATOM 1583 CG LYS A 94 7.853 -14.832 -1.261 1.00 0.69 C ATOM 1584 CD LYS A 94 8.584 -14.980 0.066 1.00 1.16 C ATOM 1585 CE LYS A 94 9.455 -16.228 0.101 1.00 1.38 C ATOM 1586 NZ LYS A 94 10.482 -16.220 -0.972 1.00 2.06 N ATOM 0 H LYS A 94 4.858 -17.357 -2.006 1.00 0.61 H new ATOM 0 HA LYS A 94 5.664 -14.733 -2.791 1.00 0.61 H new ATOM 0 HB2 LYS A 94 6.168 -15.986 -0.618 1.00 0.64 H new ATOM 0 HB3 LYS A 94 7.360 -16.900 -1.521 1.00 0.64 H new ATOM 0 HG2 LYS A 94 8.576 -14.838 -2.077 1.00 0.69 H new ATOM 0 HG3 LYS A 94 7.347 -13.867 -1.291 1.00 0.69 H new ATOM 0 HD2 LYS A 94 9.204 -14.100 0.238 1.00 1.16 H new ATOM 0 HD3 LYS A 94 7.857 -15.022 0.877 1.00 1.16 H new ATOM 0 HE2 LYS A 94 9.945 -16.301 1.072 1.00 1.38 H new ATOM 0 HE3 LYS A 94 8.826 -17.112 -0.005 1.00 1.38 H new ATOM 0 HZ1 LYS A 94 11.195 -16.951 -0.776 1.00 2.06 H new ATOM 0 HZ2 LYS A 94 10.029 -16.415 -1.888 1.00 2.06 H new ATOM 0 HZ3 LYS A 94 10.942 -15.288 -1.005 1.00 2.06 H new ATOM 1600 N ALA A 95 6.888 -17.278 -4.382 1.00 0.67 N ATOM 1601 CA ALA A 95 7.695 -17.687 -5.502 1.00 0.73 C ATOM 1602 C ALA A 95 6.944 -17.616 -6.827 1.00 0.73 C ATOM 1603 O ALA A 95 7.419 -16.999 -7.781 1.00 0.93 O ATOM 1604 CB ALA A 95 8.221 -19.094 -5.275 1.00 0.77 C ATOM 0 H ALA A 95 6.356 -18.032 -3.947 1.00 0.67 H new ATOM 0 HA ALA A 95 8.527 -16.986 -5.571 1.00 0.73 H new ATOM 0 HB1 ALA A 95 8.831 -19.396 -6.127 1.00 0.77 H new ATOM 0 HB2 ALA A 95 8.827 -19.114 -4.369 1.00 0.77 H new ATOM 0 HB3 ALA A 95 7.383 -19.783 -5.166 1.00 0.77 H new ATOM 1610 N LYS A 96 5.763 -18.243 -6.891 1.00 0.70 N ATOM 1611 CA LYS A 96 5.017 -18.307 -8.149 1.00 0.76 C ATOM 1612 C LYS A 96 4.524 -16.915 -8.561 1.00 0.58 C ATOM 1613 O LYS A 96 4.251 -16.652 -9.732 1.00 0.55 O ATOM 1614 CB LYS A 96 3.827 -19.270 -8.016 1.00 1.02 C ATOM 1615 CG LYS A 96 3.542 -20.142 -9.237 1.00 1.75 C ATOM 1616 CD LYS A 96 3.074 -19.328 -10.431 1.00 2.07 C ATOM 1617 CE LYS A 96 2.021 -20.072 -11.243 1.00 2.92 C ATOM 1618 NZ LYS A 96 2.516 -21.376 -11.761 1.00 3.11 N ATOM 0 H LYS A 96 5.312 -18.705 -6.101 1.00 0.70 H new ATOM 0 HA LYS A 96 5.688 -18.679 -8.924 1.00 0.76 H new ATOM 0 HB2 LYS A 96 4.004 -19.922 -7.160 1.00 1.02 H new ATOM 0 HB3 LYS A 96 2.934 -18.686 -7.793 1.00 1.02 H new ATOM 0 HG2 LYS A 96 4.444 -20.692 -9.506 1.00 1.75 H new ATOM 0 HG3 LYS A 96 2.782 -20.881 -8.983 1.00 1.75 H new ATOM 0 HD2 LYS A 96 2.664 -18.379 -10.086 1.00 2.07 H new ATOM 0 HD3 LYS A 96 3.927 -19.094 -11.068 1.00 2.07 H new ATOM 0 HE2 LYS A 96 1.141 -20.242 -10.622 1.00 2.92 H new ATOM 0 HE3 LYS A 96 1.705 -19.449 -12.080 1.00 2.92 H new ATOM 0 HZ1 LYS A 96 1.800 -21.794 -12.389 1.00 3.11 H new ATOM 0 HZ2 LYS A 96 3.398 -21.226 -12.292 1.00 3.11 H new ATOM 0 HZ3 LYS A 96 2.697 -22.020 -10.965 1.00 3.11 H new ATOM 1632 N VAL A 97 4.468 -16.011 -7.581 1.00 0.62 N ATOM 1633 CA VAL A 97 4.126 -14.623 -7.841 1.00 0.57 C ATOM 1634 C VAL A 97 5.235 -13.961 -8.650 1.00 0.54 C ATOM 1635 O VAL A 97 4.977 -13.157 -9.541 1.00 0.59 O ATOM 1636 CB VAL A 97 3.874 -13.842 -6.539 1.00 0.60 C ATOM 1637 CG1 VAL A 97 5.086 -13.065 -6.144 1.00 0.97 C ATOM 1638 CG2 VAL A 97 2.688 -12.920 -6.684 1.00 0.93 C ATOM 0 H VAL A 97 4.656 -16.222 -6.601 1.00 0.62 H new ATOM 0 HA VAL A 97 3.199 -14.607 -8.414 1.00 0.57 H new ATOM 0 HB VAL A 97 3.654 -14.565 -5.754 1.00 0.60 H new ATOM 0 HG11 VAL A 97 4.885 -12.521 -5.221 1.00 0.97 H new ATOM 0 HG12 VAL A 97 5.921 -13.748 -5.988 1.00 0.97 H new ATOM 0 HG13 VAL A 97 5.338 -12.358 -6.934 1.00 0.97 H new ATOM 0 HG21 VAL A 97 2.531 -12.380 -5.750 1.00 0.93 H new ATOM 0 HG22 VAL A 97 2.876 -12.208 -7.488 1.00 0.93 H new ATOM 0 HG23 VAL A 97 1.799 -13.505 -6.919 1.00 0.93 H new ATOM 1648 N GLU A 98 6.471 -14.347 -8.359 1.00 0.53 N ATOM 1649 CA GLU A 98 7.627 -13.738 -8.986 1.00 0.57 C ATOM 1650 C GLU A 98 7.883 -14.343 -10.359 1.00 0.52 C ATOM 1651 O GLU A 98 8.595 -13.768 -11.179 1.00 0.53 O ATOM 1652 CB GLU A 98 8.842 -13.862 -8.072 1.00 0.68 C ATOM 1653 CG GLU A 98 8.690 -13.039 -6.799 1.00 0.81 C ATOM 1654 CD GLU A 98 9.921 -13.055 -5.915 1.00 1.31 C ATOM 1655 OE1 GLU A 98 11.028 -12.773 -6.423 1.00 1.65 O ATOM 1656 OE2 GLU A 98 9.789 -13.330 -4.705 1.00 2.03 O ATOM 0 H GLU A 98 6.694 -15.083 -7.689 1.00 0.53 H new ATOM 0 HA GLU A 98 7.430 -12.677 -9.139 1.00 0.57 H new ATOM 0 HB2 GLU A 98 8.992 -14.909 -7.810 1.00 0.68 H new ATOM 0 HB3 GLU A 98 9.733 -13.537 -8.609 1.00 0.68 H new ATOM 0 HG2 GLU A 98 8.460 -12.008 -7.068 1.00 0.81 H new ATOM 0 HG3 GLU A 98 7.840 -13.418 -6.231 1.00 0.81 H new ATOM 1663 N GLU A 99 7.271 -15.490 -10.607 1.00 0.49 N ATOM 1664 CA GLU A 99 7.239 -16.057 -11.948 1.00 0.49 C ATOM 1665 C GLU A 99 6.361 -15.182 -12.825 1.00 0.48 C ATOM 1666 O GLU A 99 6.710 -14.851 -13.958 1.00 0.51 O ATOM 1667 CB GLU A 99 6.685 -17.481 -11.922 1.00 0.52 C ATOM 1668 CG GLU A 99 7.485 -18.440 -11.053 1.00 0.91 C ATOM 1669 CD GLU A 99 8.889 -18.672 -11.572 1.00 1.68 C ATOM 1670 OE1 GLU A 99 9.050 -19.452 -12.534 1.00 1.82 O ATOM 1671 OE2 GLU A 99 9.839 -18.085 -11.015 1.00 2.48 O ATOM 0 H GLU A 99 6.790 -16.046 -9.900 1.00 0.49 H new ATOM 0 HA GLU A 99 8.253 -16.094 -12.346 1.00 0.49 H new ATOM 0 HB2 GLU A 99 5.656 -17.453 -11.563 1.00 0.52 H new ATOM 0 HB3 GLU A 99 6.657 -17.868 -12.941 1.00 0.52 H new ATOM 0 HG2 GLU A 99 7.538 -18.045 -10.039 1.00 0.91 H new ATOM 0 HG3 GLU A 99 6.961 -19.394 -10.996 1.00 0.91 H new ATOM 1678 N ALA A 100 5.230 -14.790 -12.265 1.00 0.49 N ATOM 1679 CA ALA A 100 4.287 -13.931 -12.952 1.00 0.55 C ATOM 1680 C ALA A 100 4.847 -12.517 -13.090 1.00 0.54 C ATOM 1681 O ALA A 100 4.806 -11.927 -14.168 1.00 0.58 O ATOM 1682 CB ALA A 100 2.960 -13.929 -12.208 1.00 0.63 C ATOM 0 H ALA A 100 4.942 -15.058 -11.324 1.00 0.49 H new ATOM 0 HA ALA A 100 4.120 -14.316 -13.958 1.00 0.55 H new ATOM 0 HB1 ALA A 100 2.253 -13.282 -12.727 1.00 0.63 H new ATOM 0 HB2 ALA A 100 2.563 -14.943 -12.169 1.00 0.63 H new ATOM 0 HB3 ALA A 100 3.112 -13.560 -11.194 1.00 0.63 H new ATOM 1688 N LEU A 101 5.395 -11.993 -11.996 1.00 0.51 N ATOM 1689 CA LEU A 101 5.989 -10.655 -11.985 1.00 0.53 C ATOM 1690 C LEU A 101 7.211 -10.568 -12.893 1.00 0.51 C ATOM 1691 O LEU A 101 7.668 -9.477 -13.227 1.00 0.53 O ATOM 1692 CB LEU A 101 6.376 -10.248 -10.563 1.00 0.53 C ATOM 1693 CG LEU A 101 5.220 -10.191 -9.565 1.00 0.66 C ATOM 1694 CD1 LEU A 101 5.717 -9.758 -8.197 1.00 1.40 C ATOM 1695 CD2 LEU A 101 4.128 -9.255 -10.061 1.00 1.28 C ATOM 0 H LEU A 101 5.441 -12.477 -11.099 1.00 0.51 H new ATOM 0 HA LEU A 101 5.234 -9.967 -12.366 1.00 0.53 H new ATOM 0 HB2 LEU A 101 7.122 -10.951 -10.191 1.00 0.53 H new ATOM 0 HB3 LEU A 101 6.852 -9.268 -10.600 1.00 0.53 H new ATOM 0 HG LEU A 101 4.796 -11.191 -9.474 1.00 0.66 H new ATOM 0 HD11 LEU A 101 4.880 -9.723 -7.500 1.00 1.40 H new ATOM 0 HD12 LEU A 101 6.459 -10.471 -7.837 1.00 1.40 H new ATOM 0 HD13 LEU A 101 6.169 -8.769 -8.270 1.00 1.40 H new ATOM 0 HD21 LEU A 101 3.314 -9.229 -9.336 1.00 1.28 H new ATOM 0 HD22 LEU A 101 4.537 -8.252 -10.184 1.00 1.28 H new ATOM 0 HD23 LEU A 101 3.749 -9.613 -11.018 1.00 1.28 H new ATOM 1707 N HIS A 102 7.758 -11.710 -13.272 1.00 0.51 N ATOM 1708 CA HIS A 102 8.794 -11.739 -14.290 1.00 0.53 C ATOM 1709 C HIS A 102 8.156 -11.773 -15.666 1.00 0.56 C ATOM 1710 O HIS A 102 8.581 -11.052 -16.567 1.00 0.57 O ATOM 1711 CB HIS A 102 9.725 -12.933 -14.098 1.00 0.55 C ATOM 1712 CG HIS A 102 10.883 -12.646 -13.196 1.00 1.07 C ATOM 1713 ND1 HIS A 102 12.174 -13.035 -13.482 1.00 1.95 N ATOM 1714 CD2 HIS A 102 10.941 -12.001 -12.009 1.00 1.39 C ATOM 1715 CE1 HIS A 102 12.973 -12.644 -12.507 1.00 2.48 C ATOM 1716 NE2 HIS A 102 12.251 -12.013 -11.602 1.00 2.14 N ATOM 0 H HIS A 102 7.505 -12.623 -12.894 1.00 0.51 H new ATOM 0 HA HIS A 102 9.397 -10.836 -14.197 1.00 0.53 H new ATOM 0 HB2 HIS A 102 9.154 -13.767 -13.690 1.00 0.55 H new ATOM 0 HB3 HIS A 102 10.102 -13.250 -15.070 1.00 0.55 H new ATOM 0 HD2 HIS A 102 10.110 -11.558 -11.480 1.00 1.39 H new ATOM 0 HE1 HIS A 102 14.039 -12.813 -12.459 1.00 2.48 H new ATOM 0 HE2 HIS A 102 12.608 -11.601 -10.740 1.00 2.14 H new ATOM 1725 N ALA A 103 7.137 -12.612 -15.825 1.00 0.58 N ATOM 1726 CA ALA A 103 6.554 -12.892 -17.130 1.00 0.61 C ATOM 1727 C ALA A 103 5.882 -11.667 -17.765 1.00 0.61 C ATOM 1728 O ALA A 103 5.591 -11.676 -18.963 1.00 0.64 O ATOM 1729 CB ALA A 103 5.567 -14.040 -17.000 1.00 0.63 C ATOM 0 H ALA A 103 6.695 -13.114 -15.055 1.00 0.58 H new ATOM 0 HA ALA A 103 7.366 -13.170 -17.801 1.00 0.61 H new ATOM 0 HB1 ALA A 103 5.127 -14.254 -17.974 1.00 0.63 H new ATOM 0 HB2 ALA A 103 6.086 -14.926 -16.633 1.00 0.63 H new ATOM 0 HB3 ALA A 103 4.779 -13.765 -16.299 1.00 0.63 H new ATOM 1735 N VAL A 104 5.627 -10.626 -16.982 1.00 0.60 N ATOM 1736 CA VAL A 104 4.870 -9.494 -17.451 1.00 0.63 C ATOM 1737 C VAL A 104 5.624 -8.717 -18.543 1.00 0.76 C ATOM 1738 O VAL A 104 5.196 -8.695 -19.694 1.00 1.68 O ATOM 1739 CB VAL A 104 4.466 -8.603 -16.259 1.00 0.57 C ATOM 1740 CG1 VAL A 104 5.577 -8.539 -15.235 1.00 0.60 C ATOM 1741 CG2 VAL A 104 4.074 -7.209 -16.697 1.00 0.51 C ATOM 0 H VAL A 104 5.940 -10.552 -16.014 1.00 0.60 H new ATOM 0 HA VAL A 104 3.956 -9.854 -17.922 1.00 0.63 H new ATOM 0 HB VAL A 104 3.590 -9.062 -15.801 1.00 0.57 H new ATOM 0 HG11 VAL A 104 5.269 -7.905 -14.403 1.00 0.60 H new ATOM 0 HG12 VAL A 104 5.791 -9.542 -14.867 1.00 0.60 H new ATOM 0 HG13 VAL A 104 6.473 -8.123 -15.696 1.00 0.60 H new ATOM 0 HG21 VAL A 104 3.797 -6.618 -15.824 1.00 0.51 H new ATOM 0 HG22 VAL A 104 4.916 -6.737 -17.203 1.00 0.51 H new ATOM 0 HG23 VAL A 104 3.226 -7.267 -17.380 1.00 0.51 H new ATOM 1751 N THR A 105 6.707 -8.048 -18.146 1.00 0.77 N ATOM 1752 CA THR A 105 7.672 -7.428 -19.067 1.00 0.79 C ATOM 1753 C THR A 105 7.114 -6.198 -19.781 1.00 0.75 C ATOM 1754 O THR A 105 7.774 -5.632 -20.651 1.00 0.95 O ATOM 1755 CB THR A 105 8.257 -8.423 -20.112 1.00 0.94 C ATOM 1756 OG1 THR A 105 7.284 -8.789 -21.097 1.00 0.88 O ATOM 1757 CG2 THR A 105 8.774 -9.678 -19.426 1.00 1.03 C ATOM 0 H THR A 105 6.946 -7.917 -17.163 1.00 0.77 H new ATOM 0 HA THR A 105 8.487 -7.105 -18.420 1.00 0.79 H new ATOM 0 HB THR A 105 9.081 -7.914 -20.612 1.00 0.94 H new ATOM 0 HG1 THR A 105 6.385 -8.600 -20.755 1.00 0.88 H new ATOM 0 HG21 THR A 105 9.179 -10.361 -20.173 1.00 1.03 H new ATOM 0 HG22 THR A 105 9.558 -9.409 -18.718 1.00 1.03 H new ATOM 0 HG23 THR A 105 7.957 -10.165 -18.894 1.00 1.03 H new ATOM 1765 N ASP A 106 5.918 -5.764 -19.401 1.00 0.77 N ATOM 1766 CA ASP A 106 5.397 -4.492 -19.877 1.00 0.79 C ATOM 1767 C ASP A 106 5.917 -3.354 -19.023 1.00 0.73 C ATOM 1768 O ASP A 106 5.895 -3.426 -17.794 1.00 0.72 O ATOM 1769 CB ASP A 106 3.865 -4.483 -19.863 1.00 0.79 C ATOM 1770 CG ASP A 106 3.258 -5.283 -20.996 1.00 1.35 C ATOM 1771 OD1 ASP A 106 3.434 -4.891 -22.168 1.00 1.38 O ATOM 1772 OD2 ASP A 106 2.612 -6.317 -20.724 1.00 2.07 O ATOM 0 H ASP A 106 5.297 -6.270 -18.770 1.00 0.77 H new ATOM 0 HA ASP A 106 5.738 -4.358 -20.904 1.00 0.79 H new ATOM 0 HB2 ASP A 106 3.514 -4.885 -18.913 1.00 0.79 H new ATOM 0 HB3 ASP A 106 3.513 -3.453 -19.923 1.00 0.79 H new ATOM 1777 N GLU A 107 6.397 -2.317 -19.691 1.00 0.71 N ATOM 1778 CA GLU A 107 7.212 -1.287 -19.059 1.00 0.69 C ATOM 1779 C GLU A 107 6.529 -0.615 -17.866 1.00 0.66 C ATOM 1780 O GLU A 107 7.046 -0.664 -16.748 1.00 0.63 O ATOM 1781 CB GLU A 107 7.658 -0.238 -20.088 1.00 0.73 C ATOM 1782 CG GLU A 107 6.527 0.337 -20.933 1.00 1.63 C ATOM 1783 CD GLU A 107 7.005 1.389 -21.911 1.00 2.35 C ATOM 1784 OE1 GLU A 107 7.508 1.018 -22.991 1.00 2.65 O ATOM 1785 OE2 GLU A 107 6.891 2.594 -21.603 1.00 3.18 O ATOM 0 H GLU A 107 6.234 -2.164 -20.686 1.00 0.71 H new ATOM 0 HA GLU A 107 8.089 -1.797 -18.661 1.00 0.69 H new ATOM 0 HB2 GLU A 107 8.155 0.579 -19.564 1.00 0.73 H new ATOM 0 HB3 GLU A 107 8.397 -0.688 -20.750 1.00 0.73 H new ATOM 0 HG2 GLU A 107 6.043 -0.470 -21.482 1.00 1.63 H new ATOM 0 HG3 GLU A 107 5.774 0.773 -20.276 1.00 1.63 H new ATOM 1792 N GLU A 108 5.372 -0.001 -18.102 1.00 0.67 N ATOM 1793 CA GLU A 108 4.651 0.699 -17.045 1.00 0.66 C ATOM 1794 C GLU A 108 4.247 -0.271 -15.937 1.00 0.58 C ATOM 1795 O GLU A 108 4.259 0.082 -14.759 1.00 0.54 O ATOM 1796 CB GLU A 108 3.416 1.424 -17.600 1.00 0.76 C ATOM 1797 CG GLU A 108 2.400 0.510 -18.262 1.00 1.46 C ATOM 1798 CD GLU A 108 1.139 1.244 -18.677 1.00 2.09 C ATOM 1799 OE1 GLU A 108 0.243 1.423 -17.826 1.00 2.40 O ATOM 1800 OE2 GLU A 108 1.035 1.645 -19.853 1.00 2.78 O ATOM 0 H GLU A 108 4.916 0.025 -19.014 1.00 0.67 H new ATOM 0 HA GLU A 108 5.321 1.449 -16.625 1.00 0.66 H new ATOM 0 HB2 GLU A 108 2.928 1.961 -16.786 1.00 0.76 H new ATOM 0 HB3 GLU A 108 3.742 2.170 -18.324 1.00 0.76 H new ATOM 0 HG2 GLU A 108 2.851 0.046 -19.139 1.00 1.46 H new ATOM 0 HG3 GLU A 108 2.138 -0.295 -17.575 1.00 1.46 H new ATOM 1807 N LYS A 109 3.891 -1.497 -16.318 1.00 0.59 N ATOM 1808 CA LYS A 109 3.568 -2.543 -15.362 1.00 0.55 C ATOM 1809 C LYS A 109 4.736 -2.781 -14.407 1.00 0.51 C ATOM 1810 O LYS A 109 4.561 -2.829 -13.190 1.00 0.48 O ATOM 1811 CB LYS A 109 3.237 -3.847 -16.090 1.00 0.58 C ATOM 1812 CG LYS A 109 1.801 -3.974 -16.581 1.00 0.65 C ATOM 1813 CD LYS A 109 1.328 -2.781 -17.383 1.00 1.22 C ATOM 1814 CE LYS A 109 0.057 -3.102 -18.154 1.00 1.11 C ATOM 1815 NZ LYS A 109 -1.041 -3.585 -17.274 1.00 1.81 N ATOM 0 H LYS A 109 3.820 -1.787 -17.293 1.00 0.59 H new ATOM 0 HA LYS A 109 2.700 -2.218 -14.789 1.00 0.55 H new ATOM 0 HB2 LYS A 109 3.906 -3.946 -16.945 1.00 0.58 H new ATOM 0 HB3 LYS A 109 3.450 -4.681 -15.421 1.00 0.58 H new ATOM 0 HG2 LYS A 109 1.713 -4.871 -17.194 1.00 0.65 H new ATOM 0 HG3 LYS A 109 1.143 -4.108 -15.723 1.00 0.65 H new ATOM 0 HD2 LYS A 109 1.147 -1.939 -16.714 1.00 1.22 H new ATOM 0 HD3 LYS A 109 2.110 -2.474 -18.078 1.00 1.22 H new ATOM 0 HE2 LYS A 109 -0.275 -2.211 -18.687 1.00 1.11 H new ATOM 0 HE3 LYS A 109 0.275 -3.860 -18.906 1.00 1.11 H new ATOM 0 HZ1 LYS A 109 -1.920 -3.660 -17.825 1.00 1.81 H new ATOM 0 HZ2 LYS A 109 -0.793 -4.519 -16.890 1.00 1.81 H new ATOM 0 HZ3 LYS A 109 -1.179 -2.914 -16.491 1.00 1.81 H new ATOM 1829 N LYS A 110 5.931 -2.915 -14.969 1.00 0.53 N ATOM 1830 CA LYS A 110 7.125 -3.196 -14.173 1.00 0.53 C ATOM 1831 C LYS A 110 7.617 -1.966 -13.416 1.00 0.51 C ATOM 1832 O LYS A 110 8.463 -2.063 -12.527 1.00 0.51 O ATOM 1833 CB LYS A 110 8.268 -3.702 -15.055 1.00 0.56 C ATOM 1834 CG LYS A 110 7.975 -4.992 -15.798 1.00 0.62 C ATOM 1835 CD LYS A 110 9.266 -5.683 -16.214 1.00 0.80 C ATOM 1836 CE LYS A 110 10.055 -4.852 -17.214 1.00 0.81 C ATOM 1837 NZ LYS A 110 11.408 -5.416 -17.474 1.00 1.14 N ATOM 0 H LYS A 110 6.102 -2.834 -15.971 1.00 0.53 H new ATOM 0 HA LYS A 110 6.834 -3.963 -13.455 1.00 0.53 H new ATOM 0 HB2 LYS A 110 8.517 -2.929 -15.782 1.00 0.56 H new ATOM 0 HB3 LYS A 110 9.150 -3.850 -14.432 1.00 0.56 H new ATOM 0 HG2 LYS A 110 7.390 -5.657 -15.163 1.00 0.62 H new ATOM 0 HG3 LYS A 110 7.371 -4.779 -16.680 1.00 0.62 H new ATOM 0 HD2 LYS A 110 9.879 -5.869 -15.332 1.00 0.80 H new ATOM 0 HD3 LYS A 110 9.034 -6.654 -16.651 1.00 0.80 H new ATOM 0 HE2 LYS A 110 9.502 -4.794 -18.151 1.00 0.81 H new ATOM 0 HE3 LYS A 110 10.154 -3.834 -16.839 1.00 0.81 H new ATOM 0 HZ1 LYS A 110 11.908 -4.816 -18.161 1.00 1.14 H new ATOM 0 HZ2 LYS A 110 11.947 -5.448 -16.585 1.00 1.14 H new ATOM 0 HZ3 LYS A 110 11.315 -6.378 -17.857 1.00 1.14 H new ATOM 1851 N GLN A 111 7.077 -0.812 -13.772 1.00 0.51 N ATOM 1852 CA GLN A 111 7.297 0.399 -12.989 1.00 0.51 C ATOM 1853 C GLN A 111 6.583 0.252 -11.645 1.00 0.50 C ATOM 1854 O GLN A 111 7.128 0.591 -10.597 1.00 0.51 O ATOM 1855 CB GLN A 111 6.787 1.627 -13.751 1.00 0.52 C ATOM 1856 CG GLN A 111 7.187 2.963 -13.136 1.00 1.08 C ATOM 1857 CD GLN A 111 8.685 3.090 -12.937 1.00 1.23 C ATOM 1858 OE1 GLN A 111 9.415 3.489 -13.842 1.00 1.69 O ATOM 1859 NE2 GLN A 111 9.146 2.791 -11.735 1.00 1.61 N ATOM 0 H GLN A 111 6.486 -0.685 -14.593 1.00 0.51 H new ATOM 0 HA GLN A 111 8.364 0.539 -12.815 1.00 0.51 H new ATOM 0 HB2 GLN A 111 7.161 1.586 -14.774 1.00 0.52 H new ATOM 0 HB3 GLN A 111 5.700 1.578 -13.807 1.00 0.52 H new ATOM 0 HG2 GLN A 111 6.840 3.772 -13.778 1.00 1.08 H new ATOM 0 HG3 GLN A 111 6.686 3.081 -12.175 1.00 1.08 H new ATOM 0 HE21 GLN A 111 8.507 2.463 -11.011 1.00 1.61 H new ATOM 0 HE22 GLN A 111 10.141 2.888 -11.532 1.00 1.61 H new ATOM 1868 N TYR A 112 5.383 -0.317 -11.690 1.00 0.50 N ATOM 1869 CA TYR A 112 4.620 -0.610 -10.480 1.00 0.49 C ATOM 1870 C TYR A 112 5.287 -1.734 -9.698 1.00 0.49 C ATOM 1871 O TYR A 112 5.288 -1.729 -8.472 1.00 0.50 O ATOM 1872 CB TYR A 112 3.180 -0.995 -10.833 1.00 0.49 C ATOM 1873 CG TYR A 112 2.397 0.111 -11.514 1.00 0.57 C ATOM 1874 CD1 TYR A 112 2.330 1.381 -10.957 1.00 0.70 C ATOM 1875 CD2 TYR A 112 1.734 -0.112 -12.715 1.00 0.66 C ATOM 1876 CE1 TYR A 112 1.627 2.395 -11.568 1.00 0.82 C ATOM 1877 CE2 TYR A 112 1.023 0.902 -13.335 1.00 0.75 C ATOM 1878 CZ TYR A 112 0.952 2.129 -12.770 1.00 0.80 C ATOM 1879 OH TYR A 112 0.268 3.167 -13.361 1.00 0.92 O ATOM 0 H TYR A 112 4.915 -0.586 -12.556 1.00 0.50 H new ATOM 0 HA TYR A 112 4.597 0.286 -9.860 1.00 0.49 H new ATOM 0 HB2 TYR A 112 3.197 -1.869 -11.485 1.00 0.49 H new ATOM 0 HB3 TYR A 112 2.659 -1.287 -9.921 1.00 0.49 H new ATOM 0 HD1 TYR A 112 2.840 1.578 -10.025 1.00 0.70 H new ATOM 0 HD2 TYR A 112 1.774 -1.090 -13.171 1.00 0.66 H new ATOM 0 HE1 TYR A 112 1.595 3.381 -11.129 1.00 0.82 H new ATOM 0 HE2 TYR A 112 0.523 0.712 -14.273 1.00 0.75 H new ATOM 0 HH TYR A 112 -0.155 2.852 -14.187 1.00 0.92 H new ATOM 1889 N ILE A 113 5.868 -2.688 -10.415 1.00 0.49 N ATOM 1890 CA ILE A 113 6.559 -3.802 -9.782 1.00 0.51 C ATOM 1891 C ILE A 113 7.807 -3.333 -9.013 1.00 0.53 C ATOM 1892 O ILE A 113 8.111 -3.844 -7.937 1.00 0.54 O ATOM 1893 CB ILE A 113 6.944 -4.875 -10.816 1.00 0.57 C ATOM 1894 CG1 ILE A 113 5.675 -5.454 -11.442 1.00 0.63 C ATOM 1895 CG2 ILE A 113 7.777 -5.974 -10.170 1.00 0.59 C ATOM 1896 CD1 ILE A 113 5.936 -6.543 -12.452 1.00 0.72 C ATOM 0 H ILE A 113 5.874 -2.712 -11.435 1.00 0.49 H new ATOM 0 HA ILE A 113 5.866 -4.242 -9.065 1.00 0.51 H new ATOM 0 HB ILE A 113 7.550 -4.416 -11.597 1.00 0.57 H new ATOM 0 HG12 ILE A 113 5.039 -5.850 -10.650 1.00 0.63 H new ATOM 0 HG13 ILE A 113 5.120 -4.650 -11.924 1.00 0.63 H new ATOM 0 HG21 ILE A 113 8.038 -6.721 -10.920 1.00 0.59 H new ATOM 0 HG22 ILE A 113 8.688 -5.543 -9.755 1.00 0.59 H new ATOM 0 HG23 ILE A 113 7.202 -6.445 -9.373 1.00 0.59 H new ATOM 0 HD11 ILE A 113 4.988 -6.903 -12.852 1.00 0.72 H new ATOM 0 HD12 ILE A 113 6.545 -6.147 -13.265 1.00 0.72 H new ATOM 0 HD13 ILE A 113 6.464 -7.367 -11.971 1.00 0.72 H new ATOM 1908 N ALA A 114 8.520 -2.354 -9.565 1.00 0.56 N ATOM 1909 CA ALA A 114 9.701 -1.787 -8.903 1.00 0.59 C ATOM 1910 C ALA A 114 9.295 -0.851 -7.764 1.00 0.59 C ATOM 1911 O ALA A 114 9.860 -0.906 -6.671 1.00 0.60 O ATOM 1912 CB ALA A 114 10.557 -1.046 -9.915 1.00 0.63 C ATOM 0 H ALA A 114 8.304 -1.934 -10.469 1.00 0.56 H new ATOM 0 HA ALA A 114 10.281 -2.605 -8.476 1.00 0.59 H new ATOM 0 HB1 ALA A 114 11.431 -0.628 -9.416 1.00 0.63 H new ATOM 0 HB2 ALA A 114 10.880 -1.737 -10.694 1.00 0.63 H new ATOM 0 HB3 ALA A 114 9.975 -0.240 -10.363 1.00 0.63 H new ATOM 1918 N ASP A 115 8.312 -0.005 -8.018 1.00 0.61 N ATOM 1919 CA ASP A 115 7.912 0.986 -7.019 1.00 0.66 C ATOM 1920 C ASP A 115 7.129 0.343 -5.889 1.00 0.60 C ATOM 1921 O ASP A 115 7.520 0.404 -4.721 1.00 0.59 O ATOM 1922 CB ASP A 115 7.077 2.108 -7.641 1.00 0.77 C ATOM 1923 CG ASP A 115 7.906 3.082 -8.456 1.00 1.03 C ATOM 1924 OD1 ASP A 115 8.928 3.575 -7.941 1.00 1.20 O ATOM 1925 OD2 ASP A 115 7.542 3.357 -9.617 1.00 1.73 O ATOM 0 H ASP A 115 7.781 0.022 -8.889 1.00 0.61 H new ATOM 0 HA ASP A 115 8.830 1.415 -6.617 1.00 0.66 H new ATOM 0 HB2 ASP A 115 6.309 1.671 -8.279 1.00 0.77 H new ATOM 0 HB3 ASP A 115 6.562 2.652 -6.849 1.00 0.77 H new ATOM 1930 N PHE A 116 6.056 -0.308 -6.270 1.00 0.60 N ATOM 1931 CA PHE A 116 5.075 -0.795 -5.318 1.00 0.60 C ATOM 1932 C PHE A 116 5.246 -2.293 -5.020 1.00 0.56 C ATOM 1933 O PHE A 116 4.853 -2.768 -3.955 1.00 0.55 O ATOM 1934 CB PHE A 116 3.684 -0.439 -5.849 1.00 0.68 C ATOM 1935 CG PHE A 116 2.551 -1.176 -5.222 1.00 0.53 C ATOM 1936 CD1 PHE A 116 2.161 -0.864 -3.935 1.00 1.01 C ATOM 1937 CD2 PHE A 116 1.888 -2.180 -5.904 1.00 1.11 C ATOM 1938 CE1 PHE A 116 1.123 -1.542 -3.333 1.00 1.29 C ATOM 1939 CE2 PHE A 116 0.847 -2.862 -5.310 1.00 1.62 C ATOM 1940 CZ PHE A 116 0.429 -2.545 -4.089 1.00 1.52 C ATOM 0 H PHE A 116 5.835 -0.517 -7.244 1.00 0.60 H new ATOM 0 HA PHE A 116 5.220 -0.310 -4.353 1.00 0.60 H new ATOM 0 HB2 PHE A 116 3.522 0.630 -5.707 1.00 0.68 H new ATOM 0 HB3 PHE A 116 3.666 -0.625 -6.923 1.00 0.68 H new ATOM 0 HD1 PHE A 116 2.674 -0.082 -3.395 1.00 1.01 H new ATOM 0 HD2 PHE A 116 2.188 -2.432 -6.910 1.00 1.11 H new ATOM 0 HE1 PHE A 116 0.838 -1.323 -2.314 1.00 1.29 H new ATOM 0 HE2 PHE A 116 0.364 -3.666 -5.845 1.00 1.62 H new ATOM 0 HZ PHE A 116 -0.432 -3.042 -3.666 1.00 1.52 H new ATOM 1950 N GLY A 117 5.864 -3.019 -5.946 1.00 0.55 N ATOM 1951 CA GLY A 117 5.977 -4.475 -5.841 1.00 0.56 C ATOM 1952 C GLY A 117 6.554 -4.988 -4.518 1.00 0.54 C ATOM 1953 O GLY A 117 5.874 -5.725 -3.797 1.00 0.55 O ATOM 0 H GLY A 117 6.296 -2.624 -6.781 1.00 0.55 H new ATOM 0 HA2 GLY A 117 4.988 -4.912 -5.982 1.00 0.56 H new ATOM 0 HA3 GLY A 117 6.604 -4.835 -6.657 1.00 0.56 H new ATOM 1957 N PRO A 118 7.804 -4.622 -4.161 1.00 0.52 N ATOM 1958 CA PRO A 118 8.470 -5.135 -2.947 1.00 0.53 C ATOM 1959 C PRO A 118 7.697 -4.810 -1.669 1.00 0.46 C ATOM 1960 O PRO A 118 7.801 -5.517 -0.667 1.00 0.45 O ATOM 1961 CB PRO A 118 9.827 -4.419 -2.944 1.00 0.54 C ATOM 1962 CG PRO A 118 9.649 -3.249 -3.847 1.00 0.65 C ATOM 1963 CD PRO A 118 8.672 -3.687 -4.896 1.00 0.53 C ATOM 0 HA PRO A 118 8.547 -6.222 -2.964 1.00 0.53 H new ATOM 0 HB2 PRO A 118 10.104 -4.103 -1.938 1.00 0.54 H new ATOM 0 HB3 PRO A 118 10.620 -5.076 -3.301 1.00 0.54 H new ATOM 0 HG2 PRO A 118 9.273 -2.386 -3.298 1.00 0.65 H new ATOM 0 HG3 PRO A 118 10.598 -2.953 -4.295 1.00 0.65 H new ATOM 0 HD2 PRO A 118 8.109 -2.846 -5.301 1.00 0.53 H new ATOM 0 HD3 PRO A 118 9.170 -4.172 -5.736 1.00 0.53 H new ATOM 1971 N ALA A 119 6.921 -3.744 -1.721 1.00 0.46 N ATOM 1972 CA ALA A 119 6.114 -3.321 -0.589 1.00 0.42 C ATOM 1973 C ALA A 119 4.770 -4.030 -0.583 1.00 0.44 C ATOM 1974 O ALA A 119 4.211 -4.326 0.473 1.00 0.43 O ATOM 1975 CB ALA A 119 5.905 -1.816 -0.642 1.00 0.41 C ATOM 0 H ALA A 119 6.831 -3.148 -2.544 1.00 0.46 H new ATOM 0 HA ALA A 119 6.642 -3.584 0.328 1.00 0.42 H new ATOM 0 HB1 ALA A 119 5.299 -1.503 0.208 1.00 0.41 H new ATOM 0 HB2 ALA A 119 6.871 -1.313 -0.604 1.00 0.41 H new ATOM 0 HB3 ALA A 119 5.394 -1.552 -1.568 1.00 0.41 H new ATOM 1981 N CYS A 120 4.280 -4.343 -1.772 1.00 0.47 N ATOM 1982 CA CYS A 120 3.104 -5.180 -1.930 1.00 0.50 C ATOM 1983 C CYS A 120 3.339 -6.561 -1.313 1.00 0.52 C ATOM 1984 O CYS A 120 2.402 -7.213 -0.854 1.00 0.53 O ATOM 1985 CB CYS A 120 2.761 -5.320 -3.412 1.00 0.56 C ATOM 1986 SG CYS A 120 1.364 -6.434 -3.751 1.00 1.17 S ATOM 0 H CYS A 120 4.686 -4.024 -2.652 1.00 0.47 H new ATOM 0 HA CYS A 120 2.269 -4.708 -1.412 1.00 0.50 H new ATOM 0 HB2 CYS A 120 2.531 -4.334 -3.815 1.00 0.56 H new ATOM 0 HB3 CYS A 120 3.640 -5.685 -3.944 1.00 0.56 H new ATOM 1991 N LYS A 121 4.596 -7.000 -1.300 1.00 0.54 N ATOM 1992 CA LYS A 121 4.956 -8.284 -0.700 1.00 0.58 C ATOM 1993 C LYS A 121 4.542 -8.336 0.774 1.00 0.59 C ATOM 1994 O LYS A 121 3.872 -9.281 1.195 1.00 0.65 O ATOM 1995 CB LYS A 121 6.459 -8.528 -0.826 1.00 0.63 C ATOM 1996 CG LYS A 121 6.824 -9.885 -1.408 1.00 1.01 C ATOM 1997 CD LYS A 121 6.367 -10.029 -2.851 1.00 1.04 C ATOM 1998 CE LYS A 121 6.906 -11.304 -3.481 1.00 1.37 C ATOM 1999 NZ LYS A 121 8.390 -11.287 -3.589 1.00 1.47 N ATOM 0 H LYS A 121 5.382 -6.486 -1.698 1.00 0.54 H new ATOM 0 HA LYS A 121 4.421 -9.067 -1.237 1.00 0.58 H new ATOM 0 HB2 LYS A 121 6.891 -7.748 -1.453 1.00 0.63 H new ATOM 0 HB3 LYS A 121 6.915 -8.433 0.160 1.00 0.63 H new ATOM 0 HG2 LYS A 121 7.904 -10.024 -1.354 1.00 1.01 H new ATOM 0 HG3 LYS A 121 6.371 -10.672 -0.804 1.00 1.01 H new ATOM 0 HD2 LYS A 121 5.278 -10.035 -2.890 1.00 1.04 H new ATOM 0 HD3 LYS A 121 6.702 -9.167 -3.428 1.00 1.04 H new ATOM 0 HE2 LYS A 121 6.595 -12.162 -2.885 1.00 1.37 H new ATOM 0 HE3 LYS A 121 6.472 -11.430 -4.473 1.00 1.37 H new ATOM 0 HZ1 LYS A 121 8.715 -12.166 -4.039 1.00 1.47 H new ATOM 0 HZ2 LYS A 121 8.687 -10.473 -4.165 1.00 1.47 H new ATOM 0 HZ3 LYS A 121 8.806 -11.210 -2.639 1.00 1.47 H new ATOM 2013 N LYS A 122 4.968 -7.347 1.566 1.00 0.54 N ATOM 2014 CA LYS A 122 4.535 -7.277 2.967 1.00 0.55 C ATOM 2015 C LYS A 122 3.033 -6.999 3.037 1.00 0.53 C ATOM 2016 O LYS A 122 2.394 -7.301 4.042 1.00 0.57 O ATOM 2017 CB LYS A 122 5.340 -6.249 3.770 1.00 0.52 C ATOM 2018 CG LYS A 122 5.260 -4.824 3.252 1.00 0.46 C ATOM 2019 CD LYS A 122 6.199 -3.907 4.023 1.00 0.47 C ATOM 2020 CE LYS A 122 5.816 -3.818 5.492 1.00 1.15 C ATOM 2021 NZ LYS A 122 6.824 -3.067 6.286 1.00 1.50 N ATOM 0 H LYS A 122 5.597 -6.600 1.272 1.00 0.54 H new ATOM 0 HA LYS A 122 4.730 -8.245 3.430 1.00 0.55 H new ATOM 0 HB2 LYS A 122 4.992 -6.264 4.803 1.00 0.52 H new ATOM 0 HB3 LYS A 122 6.385 -6.557 3.781 1.00 0.52 H new ATOM 0 HG2 LYS A 122 5.516 -4.804 2.193 1.00 0.46 H new ATOM 0 HG3 LYS A 122 4.237 -4.459 3.340 1.00 0.46 H new ATOM 0 HD2 LYS A 122 7.221 -4.275 3.935 1.00 0.47 H new ATOM 0 HD3 LYS A 122 6.180 -2.911 3.581 1.00 0.47 H new ATOM 0 HE2 LYS A 122 4.845 -3.331 5.585 1.00 1.15 H new ATOM 0 HE3 LYS A 122 5.709 -4.823 5.900 1.00 1.15 H new ATOM 0 HZ1 LYS A 122 6.508 -3.001 7.275 1.00 1.50 H new ATOM 0 HZ2 LYS A 122 7.737 -3.564 6.247 1.00 1.50 H new ATOM 0 HZ3 LYS A 122 6.933 -2.110 5.893 1.00 1.50 H new ATOM 2035 N ILE A 123 2.479 -6.382 2.002 1.00 0.49 N ATOM 2036 CA ILE A 123 1.051 -6.085 1.984 1.00 0.48 C ATOM 2037 C ILE A 123 0.199 -7.355 1.947 1.00 0.51 C ATOM 2038 O ILE A 123 -0.741 -7.547 2.716 1.00 0.54 O ATOM 2039 CB ILE A 123 0.668 -5.176 0.811 1.00 0.46 C ATOM 2040 CG1 ILE A 123 1.225 -3.774 1.057 1.00 0.44 C ATOM 2041 CG2 ILE A 123 -0.842 -5.139 0.641 1.00 0.47 C ATOM 2042 CD1 ILE A 123 0.887 -2.787 -0.029 1.00 0.44 C ATOM 0 H ILE A 123 2.989 -6.080 1.172 1.00 0.49 H new ATOM 0 HA ILE A 123 0.845 -5.557 2.915 1.00 0.48 H new ATOM 0 HB ILE A 123 1.097 -5.570 -0.110 1.00 0.46 H new ATOM 0 HG12 ILE A 123 0.840 -3.402 2.006 1.00 0.44 H new ATOM 0 HG13 ILE A 123 2.309 -3.836 1.155 1.00 0.44 H new ATOM 0 HG21 ILE A 123 -1.098 -4.489 -0.196 1.00 0.47 H new ATOM 0 HG22 ILE A 123 -1.211 -6.146 0.445 1.00 0.47 H new ATOM 0 HG23 ILE A 123 -1.301 -4.755 1.552 1.00 0.47 H new ATOM 0 HD11 ILE A 123 1.316 -1.815 0.216 1.00 0.44 H new ATOM 0 HD12 ILE A 123 1.296 -3.136 -0.977 1.00 0.44 H new ATOM 0 HD13 ILE A 123 -0.196 -2.695 -0.113 1.00 0.44 H new ATOM 2054 N TYR A 124 0.600 -8.222 1.025 1.00 0.52 N ATOM 2055 CA TYR A 124 0.112 -9.593 0.893 1.00 0.58 C ATOM 2056 C TYR A 124 0.699 -10.486 1.984 1.00 0.64 C ATOM 2057 O TYR A 124 0.589 -11.705 1.891 1.00 0.82 O ATOM 2058 CB TYR A 124 0.466 -10.163 -0.483 1.00 0.59 C ATOM 2059 CG TYR A 124 -0.653 -10.072 -1.497 1.00 0.63 C ATOM 2060 CD1 TYR A 124 -0.942 -8.879 -2.143 1.00 0.95 C ATOM 2061 CD2 TYR A 124 -1.416 -11.189 -1.815 1.00 1.14 C ATOM 2062 CE1 TYR A 124 -1.958 -8.801 -3.077 1.00 1.05 C ATOM 2063 CE2 TYR A 124 -2.435 -11.120 -2.746 1.00 1.28 C ATOM 2064 CZ TYR A 124 -2.701 -9.923 -3.375 1.00 0.95 C ATOM 2065 OH TYR A 124 -3.711 -9.845 -4.311 1.00 1.17 O ATOM 0 H TYR A 124 1.299 -7.983 0.322 1.00 0.52 H new ATOM 0 HA TYR A 124 -0.972 -9.572 1.000 1.00 0.58 H new ATOM 0 HB2 TYR A 124 1.337 -9.634 -0.870 1.00 0.59 H new ATOM 0 HB3 TYR A 124 0.753 -11.208 -0.368 1.00 0.59 H new ATOM 0 HD1 TYR A 124 -0.364 -7.997 -1.912 1.00 0.95 H new ATOM 0 HD2 TYR A 124 -1.209 -12.129 -1.325 1.00 1.14 H new ATOM 0 HE1 TYR A 124 -2.169 -7.864 -3.571 1.00 1.05 H new ATOM 0 HE2 TYR A 124 -3.019 -11.998 -2.979 1.00 1.28 H new ATOM 0 HH TYR A 124 -4.137 -10.722 -4.406 1.00 1.17 H new ATOM 2075 N GLY A 125 1.137 -9.845 3.077 1.00 0.73 N ATOM 2076 CA GLY A 125 2.279 -10.212 3.948 1.00 0.86 C ATOM 2077 C GLY A 125 2.893 -11.601 3.835 1.00 0.71 C ATOM 2078 O GLY A 125 3.377 -12.148 4.828 1.00 0.78 O ATOM 0 H GLY A 125 0.675 -8.997 3.404 1.00 0.73 H new ATOM 0 HA2 GLY A 125 3.074 -9.488 3.767 1.00 0.86 H new ATOM 0 HA3 GLY A 125 1.957 -10.080 4.981 1.00 0.86 H new ATOM 2082 N VAL A 126 2.852 -12.175 2.651 1.00 0.71 N ATOM 2083 CA VAL A 126 3.625 -13.365 2.325 1.00 0.84 C ATOM 2084 C VAL A 126 5.098 -13.168 2.684 1.00 0.99 C ATOM 2085 O VAL A 126 5.769 -14.095 3.125 1.00 1.53 O ATOM 2086 CB VAL A 126 3.514 -13.716 0.823 1.00 0.93 C ATOM 2087 CG1 VAL A 126 2.117 -14.211 0.494 1.00 1.38 C ATOM 2088 CG2 VAL A 126 3.867 -12.512 -0.045 1.00 0.98 C ATOM 0 H VAL A 126 2.280 -11.831 1.880 1.00 0.71 H new ATOM 0 HA VAL A 126 3.213 -14.187 2.911 1.00 0.84 H new ATOM 0 HB VAL A 126 4.226 -14.513 0.609 1.00 0.93 H new ATOM 0 HG11 VAL A 126 2.057 -14.453 -0.567 1.00 1.38 H new ATOM 0 HG12 VAL A 126 1.899 -15.102 1.082 1.00 1.38 H new ATOM 0 HG13 VAL A 126 1.390 -13.433 0.730 1.00 1.38 H new ATOM 0 HG21 VAL A 126 3.781 -12.784 -1.097 1.00 0.98 H new ATOM 0 HG22 VAL A 126 3.183 -11.692 0.174 1.00 0.98 H new ATOM 0 HG23 VAL A 126 4.889 -12.198 0.167 1.00 0.98 H new ATOM 2098 N HIS A 127 5.590 -11.950 2.501 1.00 1.01 N ATOM 2099 CA HIS A 127 6.957 -11.624 2.872 1.00 1.16 C ATOM 2100 C HIS A 127 7.007 -11.275 4.350 1.00 1.46 C ATOM 2101 O HIS A 127 6.830 -10.112 4.724 1.00 2.24 O ATOM 2102 CB HIS A 127 7.487 -10.456 2.032 1.00 1.47 C ATOM 2103 CG HIS A 127 8.933 -10.125 2.284 1.00 1.86 C ATOM 2104 ND1 HIS A 127 9.344 -9.030 3.018 1.00 2.31 N ATOM 2105 CD2 HIS A 127 10.065 -10.751 1.887 1.00 2.47 C ATOM 2106 CE1 HIS A 127 10.663 -9.001 3.059 1.00 2.66 C ATOM 2107 NE2 HIS A 127 11.125 -10.034 2.381 1.00 2.77 N ATOM 0 H HIS A 127 5.063 -11.175 2.099 1.00 1.01 H new ATOM 0 HA HIS A 127 7.591 -12.490 2.681 1.00 1.16 H new ATOM 0 HB2 HIS A 127 7.359 -10.694 0.976 1.00 1.47 H new ATOM 0 HB3 HIS A 127 6.882 -9.572 2.235 1.00 1.47 H new ATOM 0 HD2 HIS A 127 10.123 -11.650 1.291 1.00 2.47 H new ATOM 0 HE1 HIS A 127 11.263 -8.257 3.563 1.00 2.66 H new ATOM 0 HE2 HIS A 127 12.110 -10.262 2.246 1.00 2.77 H new ATOM 2116 N THR A 128 7.214 -12.287 5.183 1.00 1.60 N ATOM 2117 CA THR A 128 7.327 -12.089 6.618 1.00 2.21 C ATOM 2118 C THR A 128 8.511 -11.182 6.925 1.00 2.87 C ATOM 2119 O THR A 128 9.663 -11.617 6.941 1.00 3.63 O ATOM 2120 CB THR A 128 7.485 -13.437 7.349 1.00 2.81 C ATOM 2121 OG1 THR A 128 6.407 -14.314 6.988 1.00 3.28 O ATOM 2122 CG2 THR A 128 7.491 -13.245 8.858 1.00 3.47 C ATOM 0 H THR A 128 7.307 -13.258 4.885 1.00 1.60 H new ATOM 0 HA THR A 128 6.412 -11.616 6.974 1.00 2.21 H new ATOM 0 HB THR A 128 8.438 -13.874 7.050 1.00 2.81 H new ATOM 0 HG1 THR A 128 6.512 -15.170 7.453 1.00 3.28 H new ATOM 0 HG21 THR A 128 7.604 -14.212 9.347 1.00 3.47 H new ATOM 0 HG22 THR A 128 8.321 -12.597 9.139 1.00 3.47 H new ATOM 0 HG23 THR A 128 6.552 -12.788 9.170 1.00 3.47 H new ATOM 2130 N SER A 129 8.215 -9.913 7.140 1.00 3.24 N ATOM 2131 CA SER A 129 9.243 -8.910 7.319 1.00 4.34 C ATOM 2132 C SER A 129 9.657 -8.824 8.783 1.00 4.97 C ATOM 2133 O SER A 129 10.732 -9.357 9.124 1.00 5.24 O ATOM 2134 CB SER A 129 8.736 -7.563 6.804 1.00 5.03 C ATOM 2135 OG SER A 129 8.246 -7.696 5.473 1.00 5.11 O ATOM 2136 OXT SER A 129 8.896 -8.257 9.592 1.00 5.56 O ATOM 0 H SER A 129 7.262 -9.553 7.195 1.00 3.24 H new ATOM 0 HA SER A 129 10.126 -9.191 6.745 1.00 4.34 H new ATOM 0 HB2 SER A 129 7.944 -7.192 7.455 1.00 5.03 H new ATOM 0 HB3 SER A 129 9.541 -6.829 6.831 1.00 5.03 H new ATOM 0 HG SER A 129 8.882 -8.219 4.941 1.00 5.11 H new TER 2142 SER A 129