USER MOD reduce.3.24.130724 H: found=0, std=0, add=1396, rem=0, adj=48 USER MOD reduce.3.24.130724 removed 1394 hydrogens (12 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 151 SER OG : rot 161:sc= 1.29 USER MOD Set 1.2: A 154 THR OG1 : rot 165:sc= -0.95 USER MOD Set 2.1: A 69 THR OG1 : rot -80:sc= -0.594 USER MOD Set 2.2: A 79 THR OG1 : rot -32:sc= 2.17 USER MOD Set 3.1: A 42 THR OG1 : rot 170:sc= 0.0318 USER MOD Set 3.2: A 49 GLN : amide:sc= 0.0329 X(o=0.065,f=0.13) USER MOD Set 4.1: A 16 HIS :FLIP no HD1:sc= -7.17! C(o=-18!,f=-16!) USER MOD Set 4.2: A 19 HIS : no HD1:sc= -5.77! C(o=-16!,f=-25!) USER MOD Set 4.3: A 96 THR OG1 : rot -146:sc= -3.19! USER MOD Single : A 1 GLY N :NH3+ -120:sc= 1.31 (180deg=0.371) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -90:sc= -0.386 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 64:sc= 0.666 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= -0.102 X(o=-0.1,f=-0.038) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 146:sc= 1.13 (180deg=0.151) USER MOD Single : A 34 THR OG1 : rot 42:sc= 0.035 USER MOD Single : A 36 GLN : amide:sc= -0.333 X(o=-0.33,f=-0.25) USER MOD Single : A 43 GLN : amide:sc= -0.311 X(o=-0.31,f=-0.51) USER MOD Single : A 44 HIS : no HE2:sc= -0.816 K(o=-0.82,f=-2.3) USER MOD Single : A 48 TYR OH : rot 168:sc= -2.23! USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 174:sc= 1.59 (180deg=1.4) USER MOD Single : A 56 LYS NZ :NH3+ -161:sc= 1.17 (180deg=0.835) USER MOD Single : A 58 THR OG1 : rot -31:sc= -2.31! USER MOD Single : A 62 THR OG1 : rot 79:sc= 1.22 USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot -32:sc= 0.556 USER MOD Single : A 71 MET CE :methyl -153:sc= -0.189 (180deg=-0.922) USER MOD Single : A 77 GLN :FLIP amide:sc= 0 F(o=-0.67,f=0) USER MOD Single : A 93 MET CE :methyl -117:sc=-0.00345 (180deg=-0.421) USER MOD Single : A 95 GLN :FLIP amide:sc= -0.571 F(o=-4!,f=-0.57) USER MOD Single : A 101 ASN : amide:sc= -0.118 K(o=-0.12,f=-1.9!) USER MOD Single : A 102 HIS :FLIP no HE2:sc= -0.932 F(o=-2.9!,f=-0.93) USER MOD Single : A 104 LYS NZ :NH3+ 168:sc= 1.07 (180deg=0.707) USER MOD Single : A 107 ASN : amide:sc= -0.111 K(o=-0.11,f=-1.1) USER MOD Single : A 115 ASN : amide:sc= -8.65! C(o=-8.6!,f=-14!) USER MOD Single : A 116 LYS NZ :NH3+ -140:sc= 2.36 (180deg=0.685) USER MOD Single : A 117 MET CE :methyl -169:sc= -4.17! (180deg=-4.59!) USER MOD Single : A 119 LYS NZ :NH3+ -161:sc= 1.27 (180deg=1.11) USER MOD Single : A 123 ASN :FLIP amide:sc= -0.0616 F(o=-1.4,f=-0.062) USER MOD Single : A 128 MET CE :methyl 146:sc= -2.27 (180deg=-2.92) USER MOD Single : A 129 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 132 MET CE :methyl 140:sc= -0.477 (180deg=-1.68!) USER MOD Single : A 134 TYR OH : rot 180:sc= 0 USER MOD Single : A 135 ASN : amide:sc= -0.0908 K(o=-0.091,f=-1.7!) USER MOD Single : A 145 THR OG1 : rot -11:sc= -0.48! USER MOD Single : A 148 CYS SG : rot -30:sc= -0.877 USER MOD Single : A 149 LYS NZ :NH3+ -142:sc= 1.16 (180deg=0.99) USER MOD Single : A 153 LYS NZ :NH3+ -156:sc= 1.28 (180deg=0.97) USER MOD Single : A 155 LYS NZ :NH3+ 142:sc= -0.151 (180deg=-0.677) USER MOD Single : A 160 HIS : no HE2:sc= 0.974 K(o=0.97,f=-3.7!) USER MOD Single : A 164 MET CE :methyl -150:sc= -3.6! (180deg=-3.67!) USER MOD Single : A 169 SER OG : rot 72:sc= 0.755 USER MOD Single : A 171 MET CE :methyl 158:sc= -0.124 (180deg=-0.686) USER MOD Single : A 175 LYS NZ :NH3+ -158:sc= 2.25 (180deg=1.57) USER MOD Single : A 177 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 179 GDP O2' : rot -5:sc= 0.323 USER MOD Single : A 179 GDP O3' : rot 180:sc= 0.253 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.917 6.523 -21.563 1.00 11.58 N ATOM 2 CA GLY A 1 -17.397 5.947 -22.843 1.00 11.11 C ATOM 3 C GLY A 1 -18.911 5.970 -22.946 1.00 10.21 C ATOM 4 O GLY A 1 -19.601 6.247 -21.967 1.00 9.82 O ATOM 0 H1 GLY A 1 -16.305 7.341 -21.758 1.00 11.58 H new ATOM 0 H2 GLY A 1 -17.731 6.828 -20.992 1.00 11.58 H new ATOM 0 H3 GLY A 1 -16.377 5.804 -21.040 1.00 11.58 H new ATOM 0 HA2 GLY A 1 -16.969 6.506 -23.675 1.00 11.11 H new ATOM 0 HA3 GLY A 1 -17.043 4.920 -22.933 1.00 11.11 H new ATOM 10 N SER A 2 -19.426 5.652 -24.130 1.00 10.08 N ATOM 11 CA SER A 2 -20.858 5.752 -24.401 1.00 9.47 C ATOM 12 C SER A 2 -21.619 4.527 -23.900 1.00 8.68 C ATOM 13 O SER A 2 -22.838 4.428 -24.066 1.00 8.69 O ATOM 14 CB SER A 2 -21.085 5.943 -25.900 1.00 9.96 C ATOM 15 OG SER A 2 -20.421 7.107 -26.364 1.00 10.61 O ATOM 0 H SER A 2 -18.872 5.322 -24.920 1.00 10.08 H new ATOM 0 HA SER A 2 -21.244 6.616 -23.860 1.00 9.47 H new ATOM 0 HB2 SER A 2 -20.721 5.070 -26.442 1.00 9.96 H new ATOM 0 HB3 SER A 2 -22.153 6.022 -26.104 1.00 9.96 H new ATOM 0 HG SER A 2 -20.577 7.211 -27.326 1.00 10.61 H new ATOM 21 N HIS A 3 -20.902 3.598 -23.283 1.00 8.25 N ATOM 22 CA HIS A 3 -21.525 2.411 -22.716 1.00 7.71 C ATOM 23 C HIS A 3 -22.081 2.724 -21.337 1.00 6.90 C ATOM 24 O HIS A 3 -21.321 2.972 -20.399 1.00 6.93 O ATOM 25 CB HIS A 3 -20.524 1.254 -22.626 1.00 8.30 C ATOM 26 CG HIS A 3 -20.034 0.767 -23.954 1.00 8.89 C ATOM 27 ND1 HIS A 3 -20.734 -0.122 -24.737 1.00 9.51 N ATOM 28 CD2 HIS A 3 -18.902 1.055 -24.640 1.00 9.23 C ATOM 29 CE1 HIS A 3 -20.058 -0.361 -25.844 1.00 10.14 C ATOM 30 NE2 HIS A 3 -18.941 0.342 -25.810 1.00 9.99 N ATOM 0 H HIS A 3 -19.890 3.643 -23.163 1.00 8.25 H new ATOM 0 HA HIS A 3 -22.340 2.107 -23.373 1.00 7.71 H new ATOM 0 HB2 HIS A 3 -19.669 1.573 -22.030 1.00 8.30 H new ATOM 0 HB3 HIS A 3 -20.991 0.424 -22.096 1.00 8.30 H new ATOM 0 HD2 HIS A 3 -18.114 1.723 -24.324 1.00 9.23 H new ATOM 0 HE1 HIS A 3 -20.366 -1.020 -26.643 1.00 10.14 H new ATOM 0 HE2 HIS A 3 -18.224 0.353 -26.536 1.00 9.99 H new ATOM 39 N MET A 4 -23.401 2.739 -21.225 1.00 6.50 N ATOM 40 CA MET A 4 -24.053 2.998 -19.949 1.00 6.05 C ATOM 41 C MET A 4 -23.979 1.748 -19.085 1.00 5.19 C ATOM 42 O MET A 4 -24.665 0.758 -19.349 1.00 5.17 O ATOM 43 CB MET A 4 -25.517 3.401 -20.151 1.00 6.67 C ATOM 44 CG MET A 4 -25.725 4.517 -21.163 1.00 7.26 C ATOM 45 SD MET A 4 -24.857 6.038 -20.735 1.00 8.18 S ATOM 46 CE MET A 4 -25.341 7.083 -22.108 1.00 8.77 C ATOM 0 H MET A 4 -24.042 2.575 -22.002 1.00 6.50 H new ATOM 0 HA MET A 4 -23.539 3.823 -19.456 1.00 6.05 H new ATOM 0 HB2 MET A 4 -26.082 2.526 -20.472 1.00 6.67 H new ATOM 0 HB3 MET A 4 -25.931 3.714 -19.192 1.00 6.67 H new ATOM 0 HG2 MET A 4 -25.388 4.178 -22.142 1.00 7.26 H new ATOM 0 HG3 MET A 4 -26.791 4.727 -21.248 1.00 7.26 H new ATOM 0 HE1 MET A 4 -24.886 8.067 -21.995 1.00 8.77 H new ATOM 0 HE2 MET A 4 -25.006 6.634 -23.043 1.00 8.77 H new ATOM 0 HE3 MET A 4 -26.426 7.185 -22.123 1.00 8.77 H new ATOM 56 N VAL A 5 -23.125 1.779 -18.074 1.00 4.89 N ATOM 57 CA VAL A 5 -22.893 0.613 -17.239 1.00 4.47 C ATOM 58 C VAL A 5 -23.040 0.951 -15.760 1.00 4.02 C ATOM 59 O VAL A 5 -22.726 2.063 -15.329 1.00 4.26 O ATOM 60 CB VAL A 5 -21.483 0.013 -17.474 1.00 5.11 C ATOM 61 CG1 VAL A 5 -21.348 -0.508 -18.896 1.00 5.46 C ATOM 62 CG2 VAL A 5 -20.395 1.038 -17.175 1.00 5.74 C ATOM 0 H VAL A 5 -22.581 2.601 -17.812 1.00 4.89 H new ATOM 0 HA VAL A 5 -23.647 -0.122 -17.520 1.00 4.47 H new ATOM 0 HB VAL A 5 -21.358 -0.824 -16.788 1.00 5.11 H new ATOM 0 HG11 VAL A 5 -20.351 -0.924 -19.038 1.00 5.46 H new ATOM 0 HG12 VAL A 5 -22.093 -1.284 -19.072 1.00 5.46 H new ATOM 0 HG13 VAL A 5 -21.503 0.310 -19.599 1.00 5.46 H new ATOM 0 HG21 VAL A 5 -19.416 0.591 -17.348 1.00 5.74 H new ATOM 0 HG22 VAL A 5 -20.520 1.902 -17.828 1.00 5.74 H new ATOM 0 HG23 VAL A 5 -20.470 1.355 -16.135 1.00 5.74 H new ATOM 72 N GLU A 6 -23.535 -0.005 -14.991 1.00 3.71 N ATOM 73 CA GLU A 6 -23.550 0.116 -13.545 1.00 3.56 C ATOM 74 C GLU A 6 -22.299 -0.550 -12.990 1.00 3.07 C ATOM 75 O GLU A 6 -22.257 -1.771 -12.805 1.00 3.23 O ATOM 76 CB GLU A 6 -24.817 -0.520 -12.958 1.00 4.14 C ATOM 77 CG GLU A 6 -24.908 -0.431 -11.441 1.00 4.54 C ATOM 78 CD GLU A 6 -24.943 0.997 -10.934 1.00 5.11 C ATOM 79 OE1 GLU A 6 -23.873 1.635 -10.863 1.00 5.70 O ATOM 80 OE2 GLU A 6 -26.042 1.486 -10.600 1.00 5.29 O ATOM 0 H GLU A 6 -23.932 -0.875 -15.346 1.00 3.71 H new ATOM 0 HA GLU A 6 -23.557 1.169 -13.264 1.00 3.56 H new ATOM 0 HB2 GLU A 6 -25.690 -0.034 -13.393 1.00 4.14 H new ATOM 0 HB3 GLU A 6 -24.855 -1.569 -13.253 1.00 4.14 H new ATOM 0 HG2 GLU A 6 -25.804 -0.952 -11.105 1.00 4.54 H new ATOM 0 HG3 GLU A 6 -24.055 -0.947 -11.000 1.00 4.54 H new ATOM 87 N ARG A 7 -21.268 0.248 -12.770 1.00 2.85 N ATOM 88 CA ARG A 7 -19.994 -0.263 -12.305 1.00 2.62 C ATOM 89 C ARG A 7 -19.796 0.103 -10.843 1.00 2.19 C ATOM 90 O ARG A 7 -19.529 1.260 -10.511 1.00 2.44 O ATOM 91 CB ARG A 7 -18.855 0.294 -13.166 1.00 3.27 C ATOM 92 CG ARG A 7 -17.493 -0.318 -12.866 1.00 3.86 C ATOM 93 CD ARG A 7 -16.449 0.151 -13.870 1.00 4.69 C ATOM 94 NE ARG A 7 -16.845 -0.163 -15.244 1.00 5.27 N ATOM 95 CZ ARG A 7 -16.478 0.539 -16.314 1.00 6.08 C ATOM 96 NH1 ARG A 7 -15.606 1.536 -16.205 1.00 6.40 N ATOM 97 NH2 ARG A 7 -16.961 0.213 -17.505 1.00 6.85 N ATOM 0 H ARG A 7 -21.291 1.258 -12.908 1.00 2.85 H new ATOM 0 HA ARG A 7 -19.988 -1.349 -12.395 1.00 2.62 H new ATOM 0 HB2 ARG A 7 -19.093 0.127 -14.217 1.00 3.27 H new ATOM 0 HB3 ARG A 7 -18.797 1.373 -13.020 1.00 3.27 H new ATOM 0 HG2 ARG A 7 -17.182 -0.044 -11.858 1.00 3.86 H new ATOM 0 HG3 ARG A 7 -17.565 -1.405 -12.893 1.00 3.86 H new ATOM 0 HD2 ARG A 7 -16.304 1.227 -13.769 1.00 4.69 H new ATOM 0 HD3 ARG A 7 -15.492 -0.322 -13.649 1.00 4.69 H new ATOM 0 HE ARG A 7 -17.443 -0.976 -15.392 1.00 5.27 H new ATOM 0 HH11 ARG A 7 -15.210 1.770 -15.294 1.00 6.40 H new ATOM 0 HH12 ARG A 7 -15.332 2.067 -17.032 1.00 6.40 H new ATOM 0 HH21 ARG A 7 -17.608 -0.570 -17.596 1.00 6.85 H new ATOM 0 HH22 ARG A 7 -16.685 0.745 -18.330 1.00 6.85 H new ATOM 111 N PRO A 8 -19.984 -0.872 -9.944 1.00 2.01 N ATOM 112 CA PRO A 8 -19.803 -0.692 -8.518 1.00 2.04 C ATOM 113 C PRO A 8 -18.410 -1.104 -8.050 1.00 1.71 C ATOM 114 O PRO A 8 -18.122 -2.294 -7.919 1.00 1.69 O ATOM 115 CB PRO A 8 -20.863 -1.633 -7.926 1.00 2.57 C ATOM 116 CG PRO A 8 -21.235 -2.596 -9.018 1.00 2.80 C ATOM 117 CD PRO A 8 -20.423 -2.236 -10.238 1.00 2.42 C ATOM 0 HA PRO A 8 -19.904 0.350 -8.215 1.00 2.04 H new ATOM 0 HB2 PRO A 8 -20.470 -2.163 -7.058 1.00 2.57 H new ATOM 0 HB3 PRO A 8 -21.735 -1.072 -7.589 1.00 2.57 H new ATOM 0 HG2 PRO A 8 -21.030 -3.622 -8.711 1.00 2.80 H new ATOM 0 HG3 PRO A 8 -22.301 -2.535 -9.236 1.00 2.80 H new ATOM 0 HD2 PRO A 8 -19.579 -2.912 -10.376 1.00 2.42 H new ATOM 0 HD3 PRO A 8 -21.020 -2.281 -11.149 1.00 2.42 H new ATOM 125 N PRO A 9 -17.518 -0.133 -7.809 1.00 1.83 N ATOM 126 CA PRO A 9 -16.193 -0.409 -7.260 1.00 1.84 C ATOM 127 C PRO A 9 -16.305 -0.942 -5.840 1.00 1.40 C ATOM 128 O PRO A 9 -16.740 -0.233 -4.937 1.00 1.72 O ATOM 129 CB PRO A 9 -15.489 0.957 -7.269 1.00 2.47 C ATOM 130 CG PRO A 9 -16.317 1.819 -8.160 1.00 2.76 C ATOM 131 CD PRO A 9 -17.721 1.301 -8.041 1.00 2.36 C ATOM 0 HA PRO A 9 -15.651 -1.163 -7.832 1.00 1.84 H new ATOM 0 HB2 PRO A 9 -15.427 1.375 -6.264 1.00 2.47 H new ATOM 0 HB3 PRO A 9 -14.468 0.871 -7.642 1.00 2.47 H new ATOM 0 HG2 PRO A 9 -16.259 2.864 -7.857 1.00 2.76 H new ATOM 0 HG3 PRO A 9 -15.967 1.766 -9.191 1.00 2.76 H new ATOM 0 HD2 PRO A 9 -18.258 1.772 -7.218 1.00 2.36 H new ATOM 0 HD3 PRO A 9 -18.299 1.487 -8.946 1.00 2.36 H new ATOM 139 N VAL A 10 -15.947 -2.203 -5.659 1.00 1.18 N ATOM 140 CA VAL A 10 -16.022 -2.835 -4.352 1.00 0.94 C ATOM 141 C VAL A 10 -14.906 -2.323 -3.450 1.00 0.94 C ATOM 142 O VAL A 10 -15.161 -1.547 -2.534 1.00 1.76 O ATOM 143 CB VAL A 10 -15.944 -4.372 -4.463 1.00 1.25 C ATOM 144 CG1 VAL A 10 -16.008 -5.020 -3.090 1.00 1.90 C ATOM 145 CG2 VAL A 10 -17.061 -4.896 -5.352 1.00 2.00 C ATOM 0 H VAL A 10 -15.601 -2.810 -6.402 1.00 1.18 H new ATOM 0 HA VAL A 10 -16.986 -2.575 -3.914 1.00 0.94 H new ATOM 0 HB VAL A 10 -14.987 -4.632 -4.915 1.00 1.25 H new ATOM 0 HG11 VAL A 10 -15.951 -6.103 -3.196 1.00 1.90 H new ATOM 0 HG12 VAL A 10 -15.173 -4.670 -2.483 1.00 1.90 H new ATOM 0 HG13 VAL A 10 -16.946 -4.752 -2.604 1.00 1.90 H new ATOM 0 HG21 VAL A 10 -16.993 -5.982 -5.420 1.00 2.00 H new ATOM 0 HG22 VAL A 10 -18.025 -4.619 -4.926 1.00 2.00 H new ATOM 0 HG23 VAL A 10 -16.967 -4.463 -6.348 1.00 2.00 H new ATOM 155 N VAL A 11 -13.670 -2.728 -3.743 1.00 0.62 N ATOM 156 CA VAL A 11 -12.509 -2.333 -2.946 1.00 0.61 C ATOM 157 C VAL A 11 -12.531 -2.997 -1.565 1.00 0.62 C ATOM 158 O VAL A 11 -13.450 -2.814 -0.775 1.00 0.93 O ATOM 159 CB VAL A 11 -12.413 -0.796 -2.788 1.00 0.76 C ATOM 160 CG1 VAL A 11 -11.260 -0.416 -1.868 1.00 1.35 C ATOM 161 CG2 VAL A 11 -12.261 -0.123 -4.145 1.00 0.95 C ATOM 0 H VAL A 11 -13.447 -3.334 -4.533 1.00 0.62 H new ATOM 0 HA VAL A 11 -11.627 -2.675 -3.488 1.00 0.61 H new ATOM 0 HB VAL A 11 -13.340 -0.445 -2.334 1.00 0.76 H new ATOM 0 HG11 VAL A 11 -11.213 0.669 -1.773 1.00 1.35 H new ATOM 0 HG12 VAL A 11 -11.417 -0.860 -0.885 1.00 1.35 H new ATOM 0 HG13 VAL A 11 -10.324 -0.784 -2.287 1.00 1.35 H new ATOM 0 HG21 VAL A 11 -12.195 0.957 -4.010 1.00 0.95 H new ATOM 0 HG22 VAL A 11 -11.354 -0.484 -4.631 1.00 0.95 H new ATOM 0 HG23 VAL A 11 -13.124 -0.359 -4.767 1.00 0.95 H new ATOM 171 N THR A 12 -11.510 -3.782 -1.280 1.00 0.44 N ATOM 172 CA THR A 12 -11.421 -4.463 -0.002 1.00 0.45 C ATOM 173 C THR A 12 -10.400 -3.779 0.893 1.00 0.41 C ATOM 174 O THR A 12 -9.327 -3.409 0.433 1.00 0.50 O ATOM 175 CB THR A 12 -11.039 -5.935 -0.212 1.00 0.54 C ATOM 176 OG1 THR A 12 -11.910 -6.500 -1.197 1.00 0.61 O ATOM 177 CG2 THR A 12 -11.151 -6.724 1.085 1.00 0.64 C ATOM 0 H THR A 12 -10.732 -3.964 -1.914 1.00 0.44 H new ATOM 0 HA THR A 12 -12.395 -4.418 0.485 1.00 0.45 H new ATOM 0 HB THR A 12 -10.003 -5.986 -0.546 1.00 0.54 H new ATOM 0 HG1 THR A 12 -12.699 -6.879 -0.757 1.00 0.61 H new ATOM 0 HG21 THR A 12 -10.874 -7.763 0.904 1.00 0.64 H new ATOM 0 HG22 THR A 12 -10.482 -6.295 1.831 1.00 0.64 H new ATOM 0 HG23 THR A 12 -12.177 -6.680 1.450 1.00 0.64 H new ATOM 185 N ILE A 13 -10.739 -3.590 2.161 1.00 0.40 N ATOM 186 CA ILE A 13 -9.831 -2.936 3.089 1.00 0.40 C ATOM 187 C ILE A 13 -9.068 -3.979 3.906 1.00 0.37 C ATOM 188 O ILE A 13 -9.627 -4.996 4.327 1.00 0.52 O ATOM 189 CB ILE A 13 -10.579 -1.954 4.022 1.00 0.52 C ATOM 190 CG1 ILE A 13 -9.583 -1.044 4.752 1.00 1.15 C ATOM 191 CG2 ILE A 13 -11.431 -2.716 5.023 1.00 1.26 C ATOM 192 CD1 ILE A 13 -10.243 0.043 5.574 1.00 1.30 C ATOM 0 H ILE A 13 -11.629 -3.878 2.567 1.00 0.40 H new ATOM 0 HA ILE A 13 -9.118 -2.354 2.505 1.00 0.40 H new ATOM 0 HB ILE A 13 -11.234 -1.332 3.413 1.00 0.52 H new ATOM 0 HG12 ILE A 13 -8.959 -1.653 5.406 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -8.921 -0.582 4.019 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -11.950 -2.010 5.671 1.00 1.26 H new ATOM 0 HG22 ILE A 13 -12.162 -3.324 4.490 1.00 1.26 H new ATOM 0 HG23 ILE A 13 -10.793 -3.361 5.627 1.00 1.26 H new ATOM 0 HD11 ILE A 13 -9.477 0.647 6.061 1.00 1.30 H new ATOM 0 HD12 ILE A 13 -10.845 0.677 4.923 1.00 1.30 H new ATOM 0 HD13 ILE A 13 -10.883 -0.411 6.331 1.00 1.30 H new ATOM 204 N MET A 14 -7.783 -3.736 4.088 1.00 0.26 N ATOM 205 CA MET A 14 -6.896 -4.646 4.782 1.00 0.28 C ATOM 206 C MET A 14 -5.840 -3.857 5.548 1.00 0.24 C ATOM 207 O MET A 14 -5.752 -2.637 5.413 1.00 0.29 O ATOM 208 CB MET A 14 -6.213 -5.558 3.769 1.00 0.36 C ATOM 209 CG MET A 14 -7.094 -6.678 3.240 1.00 0.49 C ATOM 210 SD MET A 14 -6.272 -7.662 1.970 1.00 0.79 S ATOM 211 CE MET A 14 -7.544 -8.860 1.587 1.00 0.69 C ATOM 0 H MET A 14 -7.322 -2.890 3.753 1.00 0.26 H new ATOM 0 HA MET A 14 -7.474 -5.246 5.484 1.00 0.28 H new ATOM 0 HB2 MET A 14 -5.869 -4.955 2.929 1.00 0.36 H new ATOM 0 HB3 MET A 14 -5.328 -5.995 4.231 1.00 0.36 H new ATOM 0 HG2 MET A 14 -7.386 -7.327 4.066 1.00 0.49 H new ATOM 0 HG3 MET A 14 -8.010 -6.253 2.830 1.00 0.49 H new ATOM 0 HE1 MET A 14 -7.183 -9.540 0.815 1.00 0.69 H new ATOM 0 HE2 MET A 14 -7.791 -9.428 2.484 1.00 0.69 H new ATOM 0 HE3 MET A 14 -8.434 -8.343 1.228 1.00 0.69 H new ATOM 221 N GLY A 15 -5.041 -4.551 6.342 1.00 0.27 N ATOM 222 CA GLY A 15 -3.978 -3.902 7.068 1.00 0.27 C ATOM 223 C GLY A 15 -3.804 -4.465 8.455 1.00 0.24 C ATOM 224 O GLY A 15 -4.459 -5.444 8.818 1.00 0.31 O ATOM 0 H GLY A 15 -5.113 -5.557 6.495 1.00 0.27 H new ATOM 0 HA2 GLY A 15 -3.045 -4.010 6.515 1.00 0.27 H new ATOM 0 HA3 GLY A 15 -4.187 -2.834 7.136 1.00 0.27 H new ATOM 228 N HIS A 16 -2.918 -3.856 9.225 1.00 0.20 N ATOM 229 CA HIS A 16 -2.623 -4.335 10.570 1.00 0.17 C ATOM 230 C HIS A 16 -3.583 -3.748 11.602 1.00 0.19 C ATOM 231 O HIS A 16 -4.252 -2.742 11.365 1.00 0.22 O ATOM 232 CB HIS A 16 -1.184 -3.987 10.958 1.00 0.17 C ATOM 233 CG HIS A 16 -0.711 -4.632 12.231 1.00 0.16 C ATOM 234 ND1 HIS A 16 -0.158 -4.059 13.325 1.00 0.16 N flip ATOM 235 CD2 HIS A 16 -0.812 -5.984 12.440 1.00 0.19 C flip ATOM 236 CE1 HIS A 16 0.087 -5.060 14.223 1.00 0.19 C flip ATOM 237 NE2 HIS A 16 -0.322 -6.197 13.652 1.00 0.22 N flip ATOM 0 H HIS A 16 -2.390 -3.030 8.945 1.00 0.20 H new ATOM 0 HA HIS A 16 -2.749 -5.418 10.562 1.00 0.17 H new ATOM 0 HB2 HIS A 16 -0.520 -4.283 10.146 1.00 0.17 H new ATOM 0 HB3 HIS A 16 -1.100 -2.905 11.060 1.00 0.17 H new ATOM 0 HD2 HIS A 16 -1.209 -6.722 11.758 1.00 0.19 H new ATOM 0 HE1 HIS A 16 0.526 -4.953 15.204 1.00 0.19 H new ATOM 0 HE2 HIS A 16 -0.264 -7.114 14.094 1.00 0.22 H new ATOM 245 N VAL A 17 -3.632 -4.404 12.749 1.00 0.20 N ATOM 246 CA VAL A 17 -4.387 -3.923 13.898 1.00 0.25 C ATOM 247 C VAL A 17 -3.668 -2.741 14.515 1.00 0.26 C ATOM 248 O VAL A 17 -2.449 -2.659 14.427 1.00 0.25 O ATOM 249 CB VAL A 17 -4.541 -5.045 14.937 1.00 0.29 C ATOM 250 CG1 VAL A 17 -3.191 -5.668 15.253 1.00 0.30 C ATOM 251 CG2 VAL A 17 -5.166 -4.558 16.217 1.00 0.36 C ATOM 0 H VAL A 17 -3.149 -5.287 12.912 1.00 0.20 H new ATOM 0 HA VAL A 17 -5.379 -3.612 13.571 1.00 0.25 H new ATOM 0 HB VAL A 17 -5.204 -5.789 14.495 1.00 0.29 H new ATOM 0 HG11 VAL A 17 -3.320 -6.460 15.990 1.00 0.30 H new ATOM 0 HG12 VAL A 17 -2.761 -6.086 14.343 1.00 0.30 H new ATOM 0 HG13 VAL A 17 -2.523 -4.905 15.653 1.00 0.30 H new ATOM 0 HG21 VAL A 17 -5.253 -5.388 16.918 1.00 0.36 H new ATOM 0 HG22 VAL A 17 -4.542 -3.778 16.653 1.00 0.36 H new ATOM 0 HG23 VAL A 17 -6.157 -4.155 16.008 1.00 0.36 H new ATOM 261 N ASP A 18 -4.424 -1.811 15.101 1.00 0.31 N ATOM 262 CA ASP A 18 -3.857 -0.582 15.679 1.00 0.36 C ATOM 263 C ASP A 18 -3.436 0.374 14.562 1.00 0.34 C ATOM 264 O ASP A 18 -3.395 1.593 14.738 1.00 0.41 O ATOM 265 CB ASP A 18 -2.673 -0.901 16.610 1.00 0.42 C ATOM 266 CG ASP A 18 -2.120 0.326 17.312 1.00 0.55 C ATOM 267 OD1 ASP A 18 -2.795 0.850 18.221 1.00 0.69 O ATOM 268 OD2 ASP A 18 -1.006 0.770 16.962 1.00 0.59 O ATOM 0 H ASP A 18 -5.438 -1.883 15.190 1.00 0.31 H new ATOM 0 HA ASP A 18 -4.624 -0.096 16.282 1.00 0.36 H new ATOM 0 HB2 ASP A 18 -2.992 -1.627 17.358 1.00 0.42 H new ATOM 0 HB3 ASP A 18 -1.878 -1.369 16.030 1.00 0.42 H new ATOM 273 N HIS A 19 -3.149 -0.198 13.404 1.00 0.29 N ATOM 274 CA HIS A 19 -2.861 0.569 12.209 1.00 0.32 C ATOM 275 C HIS A 19 -4.160 0.891 11.492 1.00 0.43 C ATOM 276 O HIS A 19 -4.173 1.592 10.489 1.00 0.63 O ATOM 277 CB HIS A 19 -1.957 -0.214 11.259 1.00 0.29 C ATOM 278 CG HIS A 19 -0.648 -0.624 11.846 1.00 0.22 C ATOM 279 ND1 HIS A 19 0.376 -1.070 11.052 1.00 0.27 N ATOM 280 CD2 HIS A 19 -0.251 -0.652 13.139 1.00 0.21 C ATOM 281 CE1 HIS A 19 1.368 -1.361 11.871 1.00 0.26 C ATOM 282 NE2 HIS A 19 1.033 -1.125 13.144 1.00 0.24 N ATOM 0 H HIS A 19 -3.110 -1.208 13.269 1.00 0.29 H new ATOM 0 HA HIS A 19 -2.351 1.485 12.506 1.00 0.32 H new ATOM 0 HB2 HIS A 19 -2.487 -1.107 10.927 1.00 0.29 H new ATOM 0 HB3 HIS A 19 -1.769 0.393 10.374 1.00 0.29 H new ATOM 0 HD2 HIS A 19 -0.834 -0.358 13.999 1.00 0.21 H new ATOM 0 HE1 HIS A 19 2.328 -1.741 11.554 1.00 0.26 H new ATOM 0 HE2 HIS A 19 1.623 -1.270 13.963 1.00 0.24 H new ATOM 290 N GLY A 20 -5.255 0.353 12.011 1.00 0.42 N ATOM 291 CA GLY A 20 -6.543 0.587 11.409 1.00 0.54 C ATOM 292 C GLY A 20 -7.638 0.721 12.410 1.00 0.57 C ATOM 293 O GLY A 20 -8.335 1.722 12.379 1.00 0.79 O ATOM 0 H GLY A 20 -5.270 -0.242 12.840 1.00 0.42 H new ATOM 0 HA2 GLY A 20 -6.497 1.494 10.806 1.00 0.54 H new ATOM 0 HA3 GLY A 20 -6.776 -0.235 10.732 1.00 0.54 H new ATOM 297 N LYS A 21 -7.774 -0.269 13.314 1.00 0.61 N ATOM 298 CA LYS A 21 -8.852 -0.324 14.265 1.00 0.95 C ATOM 299 C LYS A 21 -10.220 -0.392 13.580 1.00 0.89 C ATOM 300 O LYS A 21 -10.481 0.268 12.579 1.00 1.05 O ATOM 301 CB LYS A 21 -8.733 0.845 15.244 1.00 1.36 C ATOM 302 CG LYS A 21 -9.409 2.126 14.817 1.00 1.79 C ATOM 303 CD LYS A 21 -9.029 3.299 15.693 1.00 2.30 C ATOM 304 CE LYS A 21 -9.122 4.580 14.896 1.00 2.66 C ATOM 305 NZ LYS A 21 -9.088 5.793 15.761 1.00 3.31 N ATOM 0 H LYS A 21 -7.122 -1.050 13.388 1.00 0.61 H new ATOM 0 HA LYS A 21 -8.771 -1.249 14.836 1.00 0.95 H new ATOM 0 HB2 LYS A 21 -9.151 0.537 16.202 1.00 1.36 H new ATOM 0 HB3 LYS A 21 -7.675 1.051 15.409 1.00 1.36 H new ATOM 0 HG2 LYS A 21 -9.143 2.347 13.783 1.00 1.79 H new ATOM 0 HG3 LYS A 21 -10.490 1.990 14.846 1.00 1.79 H new ATOM 0 HD2 LYS A 21 -9.690 3.349 16.558 1.00 2.30 H new ATOM 0 HD3 LYS A 21 -8.016 3.168 16.073 1.00 2.30 H new ATOM 0 HE2 LYS A 21 -8.298 4.622 14.184 1.00 2.66 H new ATOM 0 HE3 LYS A 21 -10.045 4.577 14.316 1.00 2.66 H new ATOM 0 HZ1 LYS A 21 -9.155 6.645 15.168 1.00 3.31 H new ATOM 0 HZ2 LYS A 21 -9.889 5.769 16.424 1.00 3.31 H new ATOM 0 HZ3 LYS A 21 -8.196 5.813 16.296 1.00 3.31 H new ATOM 319 N THR A 22 -11.095 -1.231 14.123 1.00 0.84 N ATOM 320 CA THR A 22 -12.475 -1.285 13.678 1.00 0.87 C ATOM 321 C THR A 22 -13.119 0.066 13.944 1.00 0.79 C ATOM 322 O THR A 22 -14.168 0.411 13.398 1.00 0.79 O ATOM 323 CB THR A 22 -13.253 -2.406 14.403 1.00 1.02 C ATOM 324 OG1 THR A 22 -12.510 -3.633 14.334 1.00 1.21 O ATOM 325 CG2 THR A 22 -14.627 -2.616 13.781 1.00 1.18 C ATOM 0 H THR A 22 -10.868 -1.883 14.874 1.00 0.84 H new ATOM 0 HA THR A 22 -12.502 -1.510 12.612 1.00 0.87 H new ATOM 0 HB THR A 22 -13.386 -2.106 15.443 1.00 1.02 H new ATOM 0 HG1 THR A 22 -11.666 -3.532 14.822 1.00 1.21 H new ATOM 0 HG21 THR A 22 -15.150 -3.411 14.313 1.00 1.18 H new ATOM 0 HG22 THR A 22 -15.203 -1.693 13.851 1.00 1.18 H new ATOM 0 HG23 THR A 22 -14.513 -2.894 12.733 1.00 1.18 H new ATOM 333 N THR A 23 -12.446 0.852 14.775 1.00 0.75 N ATOM 334 CA THR A 23 -12.850 2.221 15.000 1.00 0.75 C ATOM 335 C THR A 23 -12.652 3.084 13.737 1.00 0.67 C ATOM 336 O THR A 23 -13.311 4.108 13.595 1.00 0.66 O ATOM 337 CB THR A 23 -12.106 2.818 16.200 1.00 0.82 C ATOM 338 OG1 THR A 23 -12.445 2.103 17.394 1.00 1.25 O ATOM 339 CG2 THR A 23 -12.394 4.299 16.385 1.00 1.17 C ATOM 0 H THR A 23 -11.621 0.560 15.300 1.00 0.75 H new ATOM 0 HA THR A 23 -13.916 2.219 15.229 1.00 0.75 H new ATOM 0 HB THR A 23 -11.040 2.718 15.998 1.00 0.82 H new ATOM 0 HG1 THR A 23 -11.964 2.490 18.155 1.00 1.25 H new ATOM 0 HG21 THR A 23 -11.843 4.672 17.248 1.00 1.17 H new ATOM 0 HG22 THR A 23 -12.084 4.844 15.493 1.00 1.17 H new ATOM 0 HG23 THR A 23 -13.462 4.445 16.546 1.00 1.17 H new ATOM 347 N LEU A 24 -11.784 2.675 12.786 1.00 0.65 N ATOM 348 CA LEU A 24 -11.666 3.417 11.538 1.00 0.63 C ATOM 349 C LEU A 24 -12.939 3.230 10.749 1.00 0.64 C ATOM 350 O LEU A 24 -13.381 4.120 10.040 1.00 0.65 O ATOM 351 CB LEU A 24 -10.482 2.922 10.737 1.00 0.67 C ATOM 352 CG LEU A 24 -9.837 3.944 9.790 1.00 0.84 C ATOM 353 CD1 LEU A 24 -8.400 3.551 9.481 1.00 1.49 C ATOM 354 CD2 LEU A 24 -10.629 4.064 8.494 1.00 1.30 C ATOM 0 H LEU A 24 -11.177 1.859 12.865 1.00 0.65 H new ATOM 0 HA LEU A 24 -11.510 4.474 11.753 1.00 0.63 H new ATOM 0 HB2 LEU A 24 -9.720 2.569 11.432 1.00 0.67 H new ATOM 0 HB3 LEU A 24 -10.800 2.061 10.149 1.00 0.67 H new ATOM 0 HG LEU A 24 -9.842 4.912 10.291 1.00 0.84 H new ATOM 0 HD11 LEU A 24 -7.958 4.286 8.809 1.00 1.49 H new ATOM 0 HD12 LEU A 24 -7.826 3.515 10.407 1.00 1.49 H new ATOM 0 HD13 LEU A 24 -8.385 2.570 9.006 1.00 1.49 H new ATOM 0 HD21 LEU A 24 -10.150 4.794 7.841 1.00 1.30 H new ATOM 0 HD22 LEU A 24 -10.659 3.096 7.995 1.00 1.30 H new ATOM 0 HD23 LEU A 24 -11.645 4.388 8.717 1.00 1.30 H new ATOM 366 N LEU A 25 -13.535 2.067 10.911 1.00 0.68 N ATOM 367 CA LEU A 25 -14.799 1.764 10.275 1.00 0.75 C ATOM 368 C LEU A 25 -15.905 2.614 10.880 1.00 0.74 C ATOM 369 O LEU A 25 -16.882 2.948 10.217 1.00 0.82 O ATOM 370 CB LEU A 25 -15.144 0.295 10.466 1.00 0.85 C ATOM 371 CG LEU A 25 -15.753 -0.372 9.249 1.00 0.92 C ATOM 372 CD1 LEU A 25 -14.669 -0.625 8.214 1.00 1.63 C ATOM 373 CD2 LEU A 25 -16.455 -1.654 9.652 1.00 1.69 C ATOM 0 H LEU A 25 -13.160 1.310 11.483 1.00 0.68 H new ATOM 0 HA LEU A 25 -14.710 1.982 9.211 1.00 0.75 H new ATOM 0 HB2 LEU A 25 -14.239 -0.244 10.745 1.00 0.85 H new ATOM 0 HB3 LEU A 25 -15.839 0.204 11.300 1.00 0.85 H new ATOM 0 HG LEU A 25 -16.501 0.284 8.804 1.00 0.92 H new ATOM 0 HD11 LEU A 25 -15.107 -1.105 7.339 1.00 1.63 H new ATOM 0 HD12 LEU A 25 -14.218 0.323 7.921 1.00 1.63 H new ATOM 0 HD13 LEU A 25 -13.904 -1.275 8.639 1.00 1.63 H new ATOM 0 HD21 LEU A 25 -16.889 -2.124 8.769 1.00 1.69 H new ATOM 0 HD22 LEU A 25 -15.736 -2.334 10.109 1.00 1.69 H new ATOM 0 HD23 LEU A 25 -17.245 -1.427 10.367 1.00 1.69 H new ATOM 385 N ASP A 26 -15.737 2.972 12.143 1.00 0.71 N ATOM 386 CA ASP A 26 -16.719 3.789 12.837 1.00 0.75 C ATOM 387 C ASP A 26 -16.491 5.232 12.472 1.00 0.70 C ATOM 388 O ASP A 26 -17.422 6.014 12.266 1.00 0.76 O ATOM 389 CB ASP A 26 -16.590 3.621 14.335 1.00 0.81 C ATOM 390 CG ASP A 26 -17.748 4.242 15.084 1.00 1.01 C ATOM 391 OD1 ASP A 26 -18.827 3.614 15.164 1.00 1.13 O ATOM 392 OD2 ASP A 26 -17.587 5.366 15.600 1.00 1.23 O ATOM 0 H ASP A 26 -14.930 2.710 12.708 1.00 0.71 H new ATOM 0 HA ASP A 26 -17.720 3.476 12.540 1.00 0.75 H new ATOM 0 HB2 ASP A 26 -16.532 2.559 14.576 1.00 0.81 H new ATOM 0 HB3 ASP A 26 -15.658 4.075 14.670 1.00 0.81 H new ATOM 397 N ALA A 27 -15.223 5.553 12.372 1.00 0.63 N ATOM 398 CA ALA A 27 -14.779 6.873 11.988 1.00 0.61 C ATOM 399 C ALA A 27 -15.149 7.146 10.539 1.00 0.58 C ATOM 400 O ALA A 27 -15.486 8.269 10.162 1.00 0.62 O ATOM 401 CB ALA A 27 -13.280 6.948 12.185 1.00 0.61 C ATOM 0 H ALA A 27 -14.462 4.899 12.557 1.00 0.63 H new ATOM 0 HA ALA A 27 -15.265 7.630 12.604 1.00 0.61 H new ATOM 0 HB1 ALA A 27 -12.925 7.938 11.900 1.00 0.61 H new ATOM 0 HB2 ALA A 27 -13.041 6.764 13.232 1.00 0.61 H new ATOM 0 HB3 ALA A 27 -12.793 6.196 11.564 1.00 0.61 H new ATOM 407 N ILE A 28 -15.102 6.094 9.744 1.00 0.56 N ATOM 408 CA ILE A 28 -15.381 6.175 8.326 1.00 0.57 C ATOM 409 C ILE A 28 -16.889 6.241 8.084 1.00 0.64 C ATOM 410 O ILE A 28 -17.337 6.662 7.019 1.00 0.71 O ATOM 411 CB ILE A 28 -14.750 4.965 7.594 1.00 0.61 C ATOM 412 CG1 ILE A 28 -14.274 5.344 6.200 1.00 0.84 C ATOM 413 CG2 ILE A 28 -15.715 3.794 7.513 1.00 1.02 C ATOM 414 CD1 ILE A 28 -13.363 4.290 5.610 1.00 0.85 C ATOM 0 H ILE A 28 -14.868 5.155 10.067 1.00 0.56 H new ATOM 0 HA ILE A 28 -14.938 7.087 7.926 1.00 0.57 H new ATOM 0 HB ILE A 28 -13.886 4.657 8.183 1.00 0.61 H new ATOM 0 HG12 ILE A 28 -15.136 5.485 5.548 1.00 0.84 H new ATOM 0 HG13 ILE A 28 -13.747 6.297 6.243 1.00 0.84 H new ATOM 0 HG21 ILE A 28 -15.237 2.964 6.993 1.00 1.02 H new ATOM 0 HG22 ILE A 28 -15.992 3.480 8.520 1.00 1.02 H new ATOM 0 HG23 ILE A 28 -16.609 4.097 6.968 1.00 1.02 H new ATOM 0 HD11 ILE A 28 -13.046 4.599 4.614 1.00 0.85 H new ATOM 0 HD12 ILE A 28 -12.488 4.167 6.248 1.00 0.85 H new ATOM 0 HD13 ILE A 28 -13.898 3.343 5.542 1.00 0.85 H new ATOM 426 N ARG A 29 -17.676 5.833 9.081 1.00 0.70 N ATOM 427 CA ARG A 29 -19.126 5.947 8.995 1.00 0.82 C ATOM 428 C ARG A 29 -19.546 7.400 9.114 1.00 0.86 C ATOM 429 O ARG A 29 -20.059 7.987 8.167 1.00 1.07 O ATOM 430 CB ARG A 29 -19.840 5.140 10.086 1.00 0.99 C ATOM 431 CG ARG A 29 -19.773 3.637 9.912 1.00 1.06 C ATOM 432 CD ARG A 29 -20.757 2.934 10.837 1.00 1.06 C ATOM 433 NE ARG A 29 -20.560 3.300 12.242 1.00 1.62 N ATOM 434 CZ ARG A 29 -21.550 3.652 13.067 1.00 2.19 C ATOM 435 NH1 ARG A 29 -22.804 3.713 12.630 1.00 2.49 N ATOM 436 NH2 ARG A 29 -21.287 3.947 14.332 1.00 3.04 N ATOM 0 H ARG A 29 -17.333 5.424 9.950 1.00 0.70 H new ATOM 0 HA ARG A 29 -19.415 5.543 8.025 1.00 0.82 H new ATOM 0 HB2 ARG A 29 -19.407 5.399 11.052 1.00 0.99 H new ATOM 0 HB3 ARG A 29 -20.887 5.442 10.115 1.00 0.99 H new ATOM 0 HG2 ARG A 29 -19.993 3.377 8.877 1.00 1.06 H new ATOM 0 HG3 ARG A 29 -18.761 3.288 10.120 1.00 1.06 H new ATOM 0 HD2 ARG A 29 -21.775 3.184 10.538 1.00 1.06 H new ATOM 0 HD3 ARG A 29 -20.648 1.855 10.726 1.00 1.06 H new ATOM 0 HE ARG A 29 -19.610 3.285 12.612 1.00 1.62 H new ATOM 0 HH11 ARG A 29 -23.017 3.490 11.658 1.00 2.49 H new ATOM 0 HH12 ARG A 29 -23.554 3.983 13.267 1.00 2.49 H new ATOM 0 HH21 ARG A 29 -20.328 3.905 14.677 1.00 3.04 H new ATOM 0 HH22 ARG A 29 -22.044 4.216 14.961 1.00 3.04 H new ATOM 450 N HIS A 30 -19.259 7.985 10.271 1.00 0.83 N ATOM 451 CA HIS A 30 -19.766 9.311 10.623 1.00 0.98 C ATOM 452 C HIS A 30 -18.937 10.417 9.985 1.00 0.95 C ATOM 453 O HIS A 30 -18.995 11.583 10.375 1.00 1.10 O ATOM 454 CB HIS A 30 -19.756 9.463 12.128 1.00 1.15 C ATOM 455 CG HIS A 30 -20.706 10.483 12.657 1.00 1.60 C ATOM 456 ND1 HIS A 30 -20.679 10.941 13.954 1.00 2.04 N ATOM 457 CD2 HIS A 30 -21.727 11.112 12.058 1.00 2.10 C ATOM 458 CE1 HIS A 30 -21.653 11.813 14.127 1.00 2.61 C ATOM 459 NE2 HIS A 30 -22.310 11.936 12.988 1.00 2.65 N ATOM 0 H HIS A 30 -18.673 7.559 10.989 1.00 0.83 H new ATOM 0 HA HIS A 30 -20.784 9.401 10.243 1.00 0.98 H new ATOM 0 HB2 HIS A 30 -19.991 8.499 12.579 1.00 1.15 H new ATOM 0 HB3 HIS A 30 -18.747 9.726 12.446 1.00 1.15 H new ATOM 0 HD2 HIS A 30 -22.035 10.992 11.030 1.00 2.10 H new ATOM 0 HE1 HIS A 30 -21.876 12.338 15.044 1.00 2.61 H new ATOM 0 HE2 HIS A 30 -23.115 12.541 12.827 1.00 2.65 H new ATOM 468 N SER A 31 -18.178 10.027 9.001 1.00 0.82 N ATOM 469 CA SER A 31 -17.359 10.951 8.236 1.00 0.84 C ATOM 470 C SER A 31 -18.209 11.586 7.135 1.00 1.00 C ATOM 471 O SER A 31 -17.858 12.626 6.580 1.00 1.38 O ATOM 472 CB SER A 31 -16.146 10.218 7.645 1.00 0.78 C ATOM 473 OG SER A 31 -15.271 11.105 6.973 1.00 1.46 O ATOM 0 H SER A 31 -18.103 9.056 8.698 1.00 0.82 H new ATOM 0 HA SER A 31 -16.986 11.740 8.889 1.00 0.84 H new ATOM 0 HB2 SER A 31 -15.605 9.709 8.443 1.00 0.78 H new ATOM 0 HB3 SER A 31 -16.488 9.450 6.951 1.00 0.78 H new ATOM 0 HG SER A 31 -14.511 10.603 6.612 1.00 1.46 H new ATOM 479 N LYS A 32 -19.343 10.949 6.846 1.00 0.91 N ATOM 480 CA LYS A 32 -20.298 11.456 5.869 1.00 1.09 C ATOM 481 C LYS A 32 -21.589 10.647 5.959 1.00 1.10 C ATOM 482 O LYS A 32 -21.638 9.654 6.686 1.00 1.37 O ATOM 483 CB LYS A 32 -19.732 11.406 4.437 1.00 1.39 C ATOM 484 CG LYS A 32 -19.911 10.069 3.728 1.00 1.56 C ATOM 485 CD LYS A 32 -18.596 9.341 3.524 1.00 2.24 C ATOM 486 CE LYS A 32 -18.101 8.719 4.813 1.00 3.10 C ATOM 487 NZ LYS A 32 -19.120 7.815 5.412 1.00 3.92 N ATOM 0 H LYS A 32 -19.622 10.070 7.282 1.00 0.91 H new ATOM 0 HA LYS A 32 -20.501 12.502 6.099 1.00 1.09 H new ATOM 0 HB2 LYS A 32 -20.213 12.184 3.844 1.00 1.39 H new ATOM 0 HB3 LYS A 32 -18.669 11.643 4.473 1.00 1.39 H new ATOM 0 HG2 LYS A 32 -20.585 9.440 4.310 1.00 1.56 H new ATOM 0 HG3 LYS A 32 -20.385 10.235 2.761 1.00 1.56 H new ATOM 0 HD2 LYS A 32 -18.722 8.565 2.769 1.00 2.24 H new ATOM 0 HD3 LYS A 32 -17.848 10.037 3.144 1.00 2.24 H new ATOM 0 HE2 LYS A 32 -17.186 8.159 4.620 1.00 3.10 H new ATOM 0 HE3 LYS A 32 -17.849 9.506 5.524 1.00 3.10 H new ATOM 0 HZ1 LYS A 32 -18.644 7.019 5.883 1.00 3.92 H new ATOM 0 HZ2 LYS A 32 -19.685 8.342 6.108 1.00 3.92 H new ATOM 0 HZ3 LYS A 32 -19.744 7.451 4.664 1.00 3.92 H new ATOM 501 N VAL A 33 -22.603 11.051 5.210 1.00 1.17 N ATOM 502 CA VAL A 33 -23.912 10.398 5.248 1.00 1.39 C ATOM 503 C VAL A 33 -23.820 8.893 4.986 1.00 1.51 C ATOM 504 O VAL A 33 -23.175 8.445 4.037 1.00 2.31 O ATOM 505 CB VAL A 33 -24.875 11.025 4.219 1.00 2.16 C ATOM 506 CG1 VAL A 33 -26.221 10.316 4.227 1.00 3.10 C ATOM 507 CG2 VAL A 33 -25.058 12.508 4.498 1.00 3.06 C ATOM 0 H VAL A 33 -22.548 11.836 4.561 1.00 1.17 H new ATOM 0 HA VAL A 33 -24.297 10.550 6.256 1.00 1.39 H new ATOM 0 HB VAL A 33 -24.435 10.906 3.229 1.00 2.16 H new ATOM 0 HG11 VAL A 33 -26.880 10.778 3.492 1.00 3.10 H new ATOM 0 HG12 VAL A 33 -26.080 9.265 3.977 1.00 3.10 H new ATOM 0 HG13 VAL A 33 -26.669 10.396 5.218 1.00 3.10 H new ATOM 0 HG21 VAL A 33 -25.740 12.935 3.763 1.00 3.06 H new ATOM 0 HG22 VAL A 33 -25.471 12.642 5.498 1.00 3.06 H new ATOM 0 HG23 VAL A 33 -24.094 13.012 4.434 1.00 3.06 H new ATOM 517 N THR A 34 -24.448 8.124 5.863 1.00 1.46 N ATOM 518 CA THR A 34 -24.656 6.704 5.653 1.00 1.91 C ATOM 519 C THR A 34 -25.883 6.272 6.454 1.00 2.50 C ATOM 520 O THR A 34 -26.531 7.102 7.094 1.00 2.78 O ATOM 521 CB THR A 34 -23.413 5.865 6.049 1.00 1.83 C ATOM 522 OG1 THR A 34 -23.633 4.474 5.764 1.00 2.42 O ATOM 523 CG2 THR A 34 -23.065 6.044 7.521 1.00 1.73 C ATOM 0 H THR A 34 -24.828 8.472 6.743 1.00 1.46 H new ATOM 0 HA THR A 34 -24.819 6.525 4.590 1.00 1.91 H new ATOM 0 HB THR A 34 -22.572 6.224 5.455 1.00 1.83 H new ATOM 0 HG1 THR A 34 -24.077 4.384 4.895 1.00 2.42 H new ATOM 0 HG21 THR A 34 -22.189 5.442 7.764 1.00 1.73 H new ATOM 0 HG22 THR A 34 -22.850 7.094 7.719 1.00 1.73 H new ATOM 0 HG23 THR A 34 -23.907 5.724 8.135 1.00 1.73 H new ATOM 531 N GLU A 35 -26.209 4.994 6.415 1.00 3.15 N ATOM 532 CA GLU A 35 -27.414 4.500 7.061 1.00 3.98 C ATOM 533 C GLU A 35 -27.088 3.452 8.111 1.00 4.05 C ATOM 534 O GLU A 35 -26.169 2.652 7.941 1.00 4.33 O ATOM 535 CB GLU A 35 -28.370 3.891 6.032 1.00 4.75 C ATOM 536 CG GLU A 35 -28.898 4.876 5.005 1.00 5.08 C ATOM 537 CD GLU A 35 -29.943 4.251 4.102 1.00 5.84 C ATOM 538 OE1 GLU A 35 -29.570 3.677 3.061 1.00 6.16 O ATOM 539 OE2 GLU A 35 -31.141 4.327 4.433 1.00 6.34 O ATOM 0 H GLU A 35 -25.657 4.278 5.943 1.00 3.15 H new ATOM 0 HA GLU A 35 -27.891 5.352 7.545 1.00 3.98 H new ATOM 0 HB2 GLU A 35 -27.857 3.083 5.511 1.00 4.75 H new ATOM 0 HB3 GLU A 35 -29.215 3.446 6.558 1.00 4.75 H new ATOM 0 HG2 GLU A 35 -29.329 5.737 5.517 1.00 5.08 H new ATOM 0 HG3 GLU A 35 -28.071 5.247 4.400 1.00 5.08 H new ATOM 546 N GLN A 36 -27.844 3.471 9.201 1.00 4.07 N ATOM 547 CA GLN A 36 -27.785 2.406 10.189 1.00 4.38 C ATOM 548 C GLN A 36 -28.833 1.359 9.836 1.00 4.02 C ATOM 549 O GLN A 36 -29.081 0.415 10.585 1.00 4.41 O ATOM 550 CB GLN A 36 -28.026 2.934 11.610 1.00 5.16 C ATOM 551 CG GLN A 36 -26.863 3.721 12.207 1.00 5.59 C ATOM 552 CD GLN A 36 -26.645 5.074 11.553 1.00 6.26 C ATOM 553 OE1 GLN A 36 -27.248 6.073 11.946 1.00 6.59 O ATOM 554 NE2 GLN A 36 -25.748 5.127 10.578 1.00 6.79 N ATOM 0 H GLN A 36 -28.506 4.215 9.422 1.00 4.07 H new ATOM 0 HA GLN A 36 -26.787 1.968 10.173 1.00 4.38 H new ATOM 0 HB2 GLN A 36 -28.910 3.571 11.600 1.00 5.16 H new ATOM 0 HB3 GLN A 36 -28.248 2.090 12.263 1.00 5.16 H new ATOM 0 HG2 GLN A 36 -27.043 3.866 13.272 1.00 5.59 H new ATOM 0 HG3 GLN A 36 -25.951 3.131 12.115 1.00 5.59 H new ATOM 0 HE21 GLN A 36 -25.268 4.278 10.279 1.00 6.79 H new ATOM 0 HE22 GLN A 36 -25.537 6.017 10.127 1.00 6.79 H new ATOM 563 N GLU A 37 -29.460 1.563 8.684 1.00 3.65 N ATOM 564 CA GLU A 37 -30.448 0.642 8.161 1.00 3.72 C ATOM 565 C GLU A 37 -29.765 -0.479 7.389 1.00 3.46 C ATOM 566 O GLU A 37 -28.540 -0.493 7.260 1.00 3.48 O ATOM 567 CB GLU A 37 -31.420 1.382 7.240 1.00 4.27 C ATOM 568 CG GLU A 37 -32.034 2.624 7.860 1.00 4.95 C ATOM 569 CD GLU A 37 -32.642 2.356 9.220 1.00 5.60 C ATOM 570 OE1 GLU A 37 -33.511 1.466 9.321 1.00 5.76 O ATOM 571 OE2 GLU A 37 -32.267 3.044 10.192 1.00 6.24 O ATOM 0 H GLU A 37 -29.294 2.375 8.089 1.00 3.65 H new ATOM 0 HA GLU A 37 -31.001 0.214 8.997 1.00 3.72 H new ATOM 0 HB2 GLU A 37 -30.895 1.665 6.328 1.00 4.27 H new ATOM 0 HB3 GLU A 37 -32.219 0.700 6.949 1.00 4.27 H new ATOM 0 HG2 GLU A 37 -31.269 3.395 7.954 1.00 4.95 H new ATOM 0 HG3 GLU A 37 -32.802 3.016 7.194 1.00 4.95 H new ATOM 578 N ALA A 38 -30.559 -1.396 6.852 1.00 3.77 N ATOM 579 CA ALA A 38 -30.030 -2.502 6.061 1.00 4.17 C ATOM 580 C ALA A 38 -29.446 -1.994 4.746 1.00 4.07 C ATOM 581 O ALA A 38 -28.676 -2.689 4.085 1.00 4.46 O ATOM 582 CB ALA A 38 -31.120 -3.527 5.797 1.00 4.95 C ATOM 0 H ALA A 38 -31.574 -1.397 6.950 1.00 3.77 H new ATOM 0 HA ALA A 38 -29.230 -2.980 6.627 1.00 4.17 H new ATOM 0 HB1 ALA A 38 -30.713 -4.347 5.206 1.00 4.95 H new ATOM 0 HB2 ALA A 38 -31.493 -3.914 6.745 1.00 4.95 H new ATOM 0 HB3 ALA A 38 -31.937 -3.057 5.250 1.00 4.95 H new ATOM 588 N GLY A 39 -29.819 -0.774 4.373 1.00 4.00 N ATOM 589 CA GLY A 39 -29.253 -0.148 3.195 1.00 4.22 C ATOM 590 C GLY A 39 -27.807 0.258 3.408 1.00 4.22 C ATOM 591 O GLY A 39 -27.083 0.534 2.453 1.00 4.68 O ATOM 0 H GLY A 39 -30.506 -0.207 4.869 1.00 4.00 H new ATOM 0 HA2 GLY A 39 -29.316 -0.837 2.352 1.00 4.22 H new ATOM 0 HA3 GLY A 39 -29.842 0.731 2.933 1.00 4.22 H new ATOM 595 N GLY A 40 -27.394 0.304 4.667 1.00 4.14 N ATOM 596 CA GLY A 40 -26.020 0.630 4.990 1.00 4.55 C ATOM 597 C GLY A 40 -25.298 -0.558 5.587 1.00 4.28 C ATOM 598 O GLY A 40 -24.217 -0.939 5.130 1.00 4.37 O ATOM 0 H GLY A 40 -27.990 0.120 5.474 1.00 4.14 H new ATOM 0 HA2 GLY A 40 -25.501 0.959 4.090 1.00 4.55 H new ATOM 0 HA3 GLY A 40 -25.997 1.463 5.693 1.00 4.55 H new ATOM 602 N ILE A 41 -25.905 -1.152 6.608 1.00 4.35 N ATOM 603 CA ILE A 41 -25.357 -2.340 7.236 1.00 4.40 C ATOM 604 C ILE A 41 -25.524 -3.540 6.316 1.00 4.54 C ATOM 605 O ILE A 41 -26.634 -3.883 5.909 1.00 5.04 O ATOM 606 CB ILE A 41 -26.019 -2.632 8.612 1.00 4.99 C ATOM 607 CG1 ILE A 41 -25.419 -1.747 9.711 1.00 5.27 C ATOM 608 CG2 ILE A 41 -25.868 -4.101 8.992 1.00 5.57 C ATOM 609 CD1 ILE A 41 -25.684 -0.269 9.539 1.00 5.56 C ATOM 0 H ILE A 41 -26.780 -0.826 7.017 1.00 4.35 H new ATOM 0 HA ILE A 41 -24.297 -2.157 7.413 1.00 4.40 H new ATOM 0 HB ILE A 41 -27.080 -2.402 8.518 1.00 4.99 H new ATOM 0 HG12 ILE A 41 -25.818 -2.065 10.674 1.00 5.27 H new ATOM 0 HG13 ILE A 41 -24.342 -1.909 9.743 1.00 5.27 H new ATOM 0 HG21 ILE A 41 -26.340 -4.277 9.959 1.00 5.57 H new ATOM 0 HG22 ILE A 41 -26.346 -4.723 8.236 1.00 5.57 H new ATOM 0 HG23 ILE A 41 -24.810 -4.354 9.054 1.00 5.57 H new ATOM 0 HD11 ILE A 41 -25.224 0.281 10.360 1.00 5.56 H new ATOM 0 HD12 ILE A 41 -25.260 0.069 8.593 1.00 5.56 H new ATOM 0 HD13 ILE A 41 -26.759 -0.090 9.539 1.00 5.56 H new ATOM 621 N THR A 42 -24.411 -4.155 5.972 1.00 4.43 N ATOM 622 CA THR A 42 -24.417 -5.329 5.129 1.00 4.86 C ATOM 623 C THR A 42 -24.273 -6.571 6.003 1.00 4.64 C ATOM 624 O THR A 42 -23.741 -6.482 7.110 1.00 4.68 O ATOM 625 CB THR A 42 -23.261 -5.248 4.120 1.00 5.21 C ATOM 626 OG1 THR A 42 -23.138 -3.896 3.657 1.00 5.55 O ATOM 627 CG2 THR A 42 -23.491 -6.170 2.932 1.00 5.93 C ATOM 0 H THR A 42 -23.482 -3.856 6.268 1.00 4.43 H new ATOM 0 HA THR A 42 -25.356 -5.385 4.578 1.00 4.86 H new ATOM 0 HB THR A 42 -22.346 -5.566 4.620 1.00 5.21 H new ATOM 0 HG1 THR A 42 -22.310 -3.801 3.142 1.00 5.55 H new ATOM 0 HG21 THR A 42 -22.654 -6.086 2.239 1.00 5.93 H new ATOM 0 HG22 THR A 42 -23.572 -7.200 3.281 1.00 5.93 H new ATOM 0 HG23 THR A 42 -24.412 -5.886 2.424 1.00 5.93 H new ATOM 635 N GLN A 43 -24.746 -7.716 5.517 1.00 4.73 N ATOM 636 CA GLN A 43 -24.738 -8.952 6.300 1.00 4.79 C ATOM 637 C GLN A 43 -23.335 -9.555 6.416 1.00 4.45 C ATOM 638 O GLN A 43 -23.105 -10.708 6.049 1.00 4.74 O ATOM 639 CB GLN A 43 -25.711 -9.972 5.702 1.00 5.52 C ATOM 640 CG GLN A 43 -27.174 -9.638 5.951 1.00 5.96 C ATOM 641 CD GLN A 43 -27.509 -9.550 7.430 1.00 6.23 C ATOM 642 OE1 GLN A 43 -27.459 -8.475 8.033 1.00 6.39 O ATOM 643 NE2 GLN A 43 -27.835 -10.683 8.030 1.00 6.63 N ATOM 0 H GLN A 43 -25.141 -7.815 4.582 1.00 4.73 H new ATOM 0 HA GLN A 43 -25.064 -8.697 7.308 1.00 4.79 H new ATOM 0 HB2 GLN A 43 -25.540 -10.038 4.628 1.00 5.52 H new ATOM 0 HB3 GLN A 43 -25.495 -10.955 6.120 1.00 5.52 H new ATOM 0 HG2 GLN A 43 -27.413 -8.689 5.471 1.00 5.96 H new ATOM 0 HG3 GLN A 43 -27.801 -10.398 5.485 1.00 5.96 H new ATOM 0 HE21 GLN A 43 -27.865 -11.552 7.497 1.00 6.63 H new ATOM 0 HE22 GLN A 43 -28.056 -10.688 9.026 1.00 6.63 H new ATOM 652 N HIS A 44 -22.414 -8.748 6.925 1.00 4.15 N ATOM 653 CA HIS A 44 -21.071 -9.180 7.283 1.00 4.05 C ATOM 654 C HIS A 44 -20.372 -8.033 7.994 1.00 3.55 C ATOM 655 O HIS A 44 -20.371 -6.901 7.507 1.00 3.72 O ATOM 656 CB HIS A 44 -20.247 -9.657 6.065 1.00 4.61 C ATOM 657 CG HIS A 44 -19.988 -8.635 4.990 1.00 5.23 C ATOM 658 ND1 HIS A 44 -19.188 -7.527 5.170 1.00 5.76 N ATOM 659 CD2 HIS A 44 -20.396 -8.588 3.699 1.00 5.72 C ATOM 660 CE1 HIS A 44 -19.115 -6.849 4.042 1.00 6.54 C ATOM 661 NE2 HIS A 44 -19.835 -7.470 3.126 1.00 6.49 N ATOM 0 H HIS A 44 -22.583 -7.758 7.104 1.00 4.15 H new ATOM 0 HA HIS A 44 -21.153 -10.045 7.942 1.00 4.05 H new ATOM 0 HB2 HIS A 44 -19.286 -10.025 6.425 1.00 4.61 H new ATOM 0 HB3 HIS A 44 -20.764 -10.504 5.614 1.00 4.61 H new ATOM 0 HD1 HIS A 44 -18.724 -7.271 6.042 1.00 5.76 H new ATOM 0 HD2 HIS A 44 -21.044 -9.299 3.209 1.00 5.72 H new ATOM 0 HE1 HIS A 44 -18.558 -5.936 3.892 1.00 6.54 H new ATOM 670 N ILE A 45 -19.806 -8.308 9.151 1.00 3.31 N ATOM 671 CA ILE A 45 -19.166 -7.267 9.932 1.00 3.06 C ATOM 672 C ILE A 45 -17.709 -7.136 9.517 1.00 2.33 C ATOM 673 O ILE A 45 -17.118 -8.073 8.976 1.00 2.50 O ATOM 674 CB ILE A 45 -19.274 -7.539 11.452 1.00 3.87 C ATOM 675 CG1 ILE A 45 -20.729 -7.792 11.839 1.00 4.51 C ATOM 676 CG2 ILE A 45 -18.725 -6.367 12.261 1.00 4.43 C ATOM 677 CD1 ILE A 45 -21.644 -6.624 11.532 1.00 5.17 C ATOM 0 H ILE A 45 -19.775 -9.237 9.570 1.00 3.31 H new ATOM 0 HA ILE A 45 -19.685 -6.329 9.734 1.00 3.06 H new ATOM 0 HB ILE A 45 -18.679 -8.424 11.678 1.00 3.87 H new ATOM 0 HG12 ILE A 45 -21.089 -8.675 11.311 1.00 4.51 H new ATOM 0 HG13 ILE A 45 -20.781 -8.014 12.905 1.00 4.51 H new ATOM 0 HG21 ILE A 45 -18.814 -6.586 13.325 1.00 4.43 H new ATOM 0 HG22 ILE A 45 -17.676 -6.211 12.009 1.00 4.43 H new ATOM 0 HG23 ILE A 45 -19.292 -5.466 12.027 1.00 4.43 H new ATOM 0 HD11 ILE A 45 -22.662 -6.871 11.832 1.00 5.17 H new ATOM 0 HD12 ILE A 45 -21.308 -5.744 12.081 1.00 5.17 H new ATOM 0 HD13 ILE A 45 -21.621 -6.415 10.462 1.00 5.17 H new ATOM 689 N GLY A 46 -17.149 -5.969 9.748 1.00 2.18 N ATOM 690 CA GLY A 46 -15.788 -5.703 9.337 1.00 2.10 C ATOM 691 C GLY A 46 -15.717 -4.595 8.309 1.00 1.86 C ATOM 692 O GLY A 46 -14.668 -3.983 8.127 1.00 2.51 O ATOM 0 H GLY A 46 -17.613 -5.191 10.217 1.00 2.18 H new ATOM 0 HA2 GLY A 46 -15.192 -5.429 10.208 1.00 2.10 H new ATOM 0 HA3 GLY A 46 -15.349 -6.611 8.923 1.00 2.10 H new ATOM 696 N ALA A 47 -16.850 -4.337 7.651 1.00 1.36 N ATOM 697 CA ALA A 47 -16.949 -3.292 6.635 1.00 1.12 C ATOM 698 C ALA A 47 -18.389 -3.166 6.150 1.00 1.01 C ATOM 699 O ALA A 47 -19.281 -3.821 6.690 1.00 1.17 O ATOM 700 CB ALA A 47 -16.011 -3.582 5.484 1.00 1.29 C ATOM 0 H ALA A 47 -17.720 -4.846 7.808 1.00 1.36 H new ATOM 0 HA ALA A 47 -16.653 -2.341 7.077 1.00 1.12 H new ATOM 0 HB1 ALA A 47 -16.098 -2.794 4.736 1.00 1.29 H new ATOM 0 HB2 ALA A 47 -14.986 -3.622 5.852 1.00 1.29 H new ATOM 0 HB3 ALA A 47 -16.273 -4.539 5.034 1.00 1.29 H new ATOM 706 N TYR A 48 -18.612 -2.352 5.119 1.00 0.85 N ATOM 707 CA TYR A 48 -19.963 -2.009 4.688 1.00 0.89 C ATOM 708 C TYR A 48 -19.912 -1.156 3.427 1.00 0.81 C ATOM 709 O TYR A 48 -18.834 -0.861 2.907 1.00 0.73 O ATOM 710 CB TYR A 48 -20.717 -1.253 5.795 1.00 0.97 C ATOM 711 CG TYR A 48 -20.233 0.164 6.013 1.00 0.94 C ATOM 712 CD1 TYR A 48 -18.955 0.412 6.481 1.00 0.92 C ATOM 713 CD2 TYR A 48 -21.059 1.252 5.745 1.00 1.20 C ATOM 714 CE1 TYR A 48 -18.505 1.702 6.676 1.00 1.15 C ATOM 715 CE2 TYR A 48 -20.620 2.545 5.937 1.00 1.40 C ATOM 716 CZ TYR A 48 -19.341 2.766 6.404 1.00 1.37 C ATOM 717 OH TYR A 48 -18.893 4.054 6.585 1.00 1.70 O ATOM 0 H TYR A 48 -17.872 -1.918 4.567 1.00 0.85 H new ATOM 0 HA TYR A 48 -20.496 -2.936 4.475 1.00 0.89 H new ATOM 0 HB2 TYR A 48 -21.778 -1.229 5.546 1.00 0.97 H new ATOM 0 HB3 TYR A 48 -20.621 -1.807 6.729 1.00 0.97 H new ATOM 0 HD1 TYR A 48 -18.298 -0.418 6.697 1.00 0.92 H new ATOM 0 HD2 TYR A 48 -22.061 1.080 5.380 1.00 1.20 H new ATOM 0 HE1 TYR A 48 -17.503 1.878 7.040 1.00 1.15 H new ATOM 0 HE2 TYR A 48 -21.273 3.378 5.723 1.00 1.40 H new ATOM 0 HH TYR A 48 -19.523 4.681 6.172 1.00 1.70 H new ATOM 727 N GLN A 49 -21.080 -0.756 2.953 1.00 0.91 N ATOM 728 CA GLN A 49 -21.189 0.076 1.762 1.00 0.89 C ATOM 729 C GLN A 49 -21.203 1.548 2.157 1.00 0.90 C ATOM 730 O GLN A 49 -22.150 2.016 2.791 1.00 1.02 O ATOM 731 CB GLN A 49 -22.482 -0.260 1.018 1.00 1.02 C ATOM 732 CG GLN A 49 -22.624 -1.732 0.670 1.00 1.09 C ATOM 733 CD GLN A 49 -24.040 -2.113 0.302 1.00 1.45 C ATOM 734 OE1 GLN A 49 -24.441 -2.026 -0.858 1.00 1.87 O ATOM 735 NE2 GLN A 49 -24.796 -2.561 1.290 1.00 1.91 N ATOM 0 H GLN A 49 -21.975 -0.996 3.378 1.00 0.91 H new ATOM 0 HA GLN A 49 -20.333 -0.116 1.115 1.00 0.89 H new ATOM 0 HB2 GLN A 49 -23.332 0.043 1.630 1.00 1.02 H new ATOM 0 HB3 GLN A 49 -22.525 0.327 0.100 1.00 1.02 H new ATOM 0 HG2 GLN A 49 -21.961 -1.970 -0.162 1.00 1.09 H new ATOM 0 HG3 GLN A 49 -22.299 -2.334 1.519 1.00 1.09 H new ATOM 0 HE21 GLN A 49 -24.419 -2.615 2.236 1.00 1.91 H new ATOM 0 HE22 GLN A 49 -25.756 -2.853 1.106 1.00 1.91 H new ATOM 744 N VAL A 50 -20.162 2.277 1.792 1.00 0.85 N ATOM 745 CA VAL A 50 -20.063 3.675 2.158 1.00 0.91 C ATOM 746 C VAL A 50 -20.756 4.566 1.129 1.00 0.96 C ATOM 747 O VAL A 50 -20.694 4.318 -0.072 1.00 1.01 O ATOM 748 CB VAL A 50 -18.587 4.108 2.317 1.00 0.93 C ATOM 749 CG1 VAL A 50 -17.891 3.250 3.359 1.00 1.53 C ATOM 750 CG2 VAL A 50 -17.842 4.058 0.989 1.00 1.34 C ATOM 0 H VAL A 50 -19.377 1.923 1.245 1.00 0.85 H new ATOM 0 HA VAL A 50 -20.567 3.794 3.117 1.00 0.91 H new ATOM 0 HB VAL A 50 -18.579 5.144 2.657 1.00 0.93 H new ATOM 0 HG11 VAL A 50 -16.853 3.568 3.458 1.00 1.53 H new ATOM 0 HG12 VAL A 50 -18.397 3.360 4.318 1.00 1.53 H new ATOM 0 HG13 VAL A 50 -17.922 2.205 3.050 1.00 1.53 H new ATOM 0 HG21 VAL A 50 -16.808 4.369 1.140 1.00 1.34 H new ATOM 0 HG22 VAL A 50 -17.862 3.040 0.599 1.00 1.34 H new ATOM 0 HG23 VAL A 50 -18.322 4.729 0.277 1.00 1.34 H new ATOM 760 N THR A 51 -21.449 5.585 1.603 1.00 1.09 N ATOM 761 CA THR A 51 -22.015 6.578 0.715 1.00 1.16 C ATOM 762 C THR A 51 -20.968 7.637 0.399 1.00 1.19 C ATOM 763 O THR A 51 -20.920 8.693 1.023 1.00 1.28 O ATOM 764 CB THR A 51 -23.263 7.240 1.329 1.00 1.29 C ATOM 765 OG1 THR A 51 -24.179 6.226 1.767 1.00 1.51 O ATOM 766 CG2 THR A 51 -23.947 8.137 0.307 1.00 1.42 C ATOM 0 H THR A 51 -21.632 5.745 2.594 1.00 1.09 H new ATOM 0 HA THR A 51 -22.322 6.077 -0.203 1.00 1.16 H new ATOM 0 HB THR A 51 -22.954 7.848 2.179 1.00 1.29 H new ATOM 0 HG1 THR A 51 -24.972 6.648 2.159 1.00 1.51 H new ATOM 0 HG21 THR A 51 -24.827 8.597 0.757 1.00 1.42 H new ATOM 0 HG22 THR A 51 -23.255 8.916 -0.015 1.00 1.42 H new ATOM 0 HG23 THR A 51 -24.250 7.542 -0.555 1.00 1.42 H new ATOM 774 N VAL A 52 -20.114 7.325 -0.564 1.00 1.36 N ATOM 775 CA VAL A 52 -19.111 8.274 -1.040 1.00 1.62 C ATOM 776 C VAL A 52 -19.775 9.217 -2.029 1.00 1.81 C ATOM 777 O VAL A 52 -19.299 10.317 -2.307 1.00 2.11 O ATOM 778 CB VAL A 52 -17.927 7.555 -1.728 1.00 1.88 C ATOM 779 CG1 VAL A 52 -18.378 6.872 -3.015 1.00 1.98 C ATOM 780 CG2 VAL A 52 -16.784 8.525 -2.002 1.00 2.27 C ATOM 0 H VAL A 52 -20.093 6.420 -1.034 1.00 1.36 H new ATOM 0 HA VAL A 52 -18.713 8.822 -0.186 1.00 1.62 H new ATOM 0 HB VAL A 52 -17.561 6.786 -1.047 1.00 1.88 H new ATOM 0 HG11 VAL A 52 -17.527 6.374 -3.480 1.00 1.98 H new ATOM 0 HG12 VAL A 52 -19.149 6.136 -2.786 1.00 1.98 H new ATOM 0 HG13 VAL A 52 -18.781 7.617 -3.701 1.00 1.98 H new ATOM 0 HG21 VAL A 52 -15.964 7.994 -2.486 1.00 2.27 H new ATOM 0 HG22 VAL A 52 -17.134 9.325 -2.655 1.00 2.27 H new ATOM 0 HG23 VAL A 52 -16.435 8.951 -1.061 1.00 2.27 H new ATOM 790 N ASN A 53 -20.896 8.744 -2.533 1.00 1.81 N ATOM 791 CA ASN A 53 -21.702 9.445 -3.493 1.00 1.99 C ATOM 792 C ASN A 53 -23.093 8.856 -3.438 1.00 1.80 C ATOM 793 O ASN A 53 -24.081 9.562 -3.246 1.00 1.82 O ATOM 794 CB ASN A 53 -21.118 9.298 -4.885 1.00 2.39 C ATOM 795 CG ASN A 53 -20.524 10.567 -5.408 1.00 3.10 C ATOM 796 OD1 ASN A 53 -21.221 11.420 -5.957 1.00 3.68 O ATOM 797 ND2 ASN A 53 -19.237 10.692 -5.273 1.00 3.42 N ATOM 0 H ASN A 53 -21.277 7.834 -2.274 1.00 1.81 H new ATOM 0 HA ASN A 53 -21.730 10.510 -3.260 1.00 1.99 H new ATOM 0 HB2 ASN A 53 -20.351 8.523 -4.871 1.00 2.39 H new ATOM 0 HB3 ASN A 53 -21.899 8.961 -5.567 1.00 2.39 H new ATOM 0 HD21 ASN A 53 -18.765 11.523 -5.629 1.00 3.42 H new ATOM 0 HD22 ASN A 53 -18.699 9.959 -4.811 1.00 3.42 H new ATOM 804 N ASP A 54 -23.138 7.533 -3.571 1.00 1.81 N ATOM 805 CA ASP A 54 -24.371 6.777 -3.437 1.00 1.82 C ATOM 806 C ASP A 54 -24.077 5.285 -3.320 1.00 2.08 C ATOM 807 O ASP A 54 -24.116 4.556 -4.308 1.00 2.23 O ATOM 808 CB ASP A 54 -25.286 7.034 -4.615 1.00 2.01 C ATOM 809 CG ASP A 54 -26.611 6.309 -4.500 1.00 2.47 C ATOM 810 OD1 ASP A 54 -27.465 6.747 -3.705 1.00 2.99 O ATOM 811 OD2 ASP A 54 -26.808 5.296 -5.206 1.00 2.69 O ATOM 0 H ASP A 54 -22.320 6.959 -3.774 1.00 1.81 H new ATOM 0 HA ASP A 54 -24.872 7.107 -2.527 1.00 1.82 H new ATOM 0 HB2 ASP A 54 -25.470 8.105 -4.699 1.00 2.01 H new ATOM 0 HB3 ASP A 54 -24.786 6.723 -5.532 1.00 2.01 H new ATOM 816 N LYS A 55 -23.716 4.861 -2.110 1.00 2.27 N ATOM 817 CA LYS A 55 -23.558 3.440 -1.777 1.00 2.75 C ATOM 818 C LYS A 55 -22.520 2.734 -2.651 1.00 1.92 C ATOM 819 O LYS A 55 -22.584 1.521 -2.844 1.00 2.45 O ATOM 820 CB LYS A 55 -24.901 2.716 -1.885 1.00 4.02 C ATOM 821 CG LYS A 55 -25.941 3.232 -0.909 1.00 5.04 C ATOM 822 CD LYS A 55 -25.487 3.054 0.530 1.00 5.92 C ATOM 823 CE LYS A 55 -26.527 3.574 1.504 1.00 6.66 C ATOM 824 NZ LYS A 55 -27.853 2.952 1.268 1.00 7.36 N ATOM 0 H LYS A 55 -23.524 5.490 -1.331 1.00 2.27 H new ATOM 0 HA LYS A 55 -23.195 3.401 -0.750 1.00 2.75 H new ATOM 0 HB2 LYS A 55 -25.282 2.822 -2.901 1.00 4.02 H new ATOM 0 HB3 LYS A 55 -24.747 1.651 -1.711 1.00 4.02 H new ATOM 0 HG2 LYS A 55 -26.133 4.287 -1.104 1.00 5.04 H new ATOM 0 HG3 LYS A 55 -26.881 2.703 -1.064 1.00 5.04 H new ATOM 0 HD2 LYS A 55 -25.298 1.999 0.726 1.00 5.92 H new ATOM 0 HD3 LYS A 55 -24.545 3.581 0.684 1.00 5.92 H new ATOM 0 HE2 LYS A 55 -26.205 3.370 2.525 1.00 6.66 H new ATOM 0 HE3 LYS A 55 -26.609 4.656 1.406 1.00 6.66 H new ATOM 0 HZ1 LYS A 55 -28.515 3.252 2.012 1.00 7.36 H new ATOM 0 HZ2 LYS A 55 -28.217 3.251 0.341 1.00 7.36 H new ATOM 0 HZ3 LYS A 55 -27.759 1.916 1.285 1.00 7.36 H new ATOM 838 N LYS A 56 -21.566 3.486 -3.172 1.00 1.27 N ATOM 839 CA LYS A 56 -20.493 2.899 -3.957 1.00 1.10 C ATOM 840 C LYS A 56 -19.229 2.815 -3.116 1.00 1.03 C ATOM 841 O LYS A 56 -19.050 3.604 -2.190 1.00 1.91 O ATOM 842 CB LYS A 56 -20.248 3.688 -5.248 1.00 1.91 C ATOM 843 CG LYS A 56 -21.380 3.549 -6.259 1.00 2.63 C ATOM 844 CD LYS A 56 -21.052 4.229 -7.580 1.00 3.33 C ATOM 845 CE LYS A 56 -22.145 3.998 -8.619 1.00 3.92 C ATOM 846 NZ LYS A 56 -22.289 2.559 -8.978 1.00 4.46 N ATOM 0 H LYS A 56 -21.512 4.499 -3.067 1.00 1.27 H new ATOM 0 HA LYS A 56 -20.788 1.891 -4.250 1.00 1.10 H new ATOM 0 HB2 LYS A 56 -20.116 4.742 -5.003 1.00 1.91 H new ATOM 0 HB3 LYS A 56 -19.318 3.347 -5.704 1.00 1.91 H new ATOM 0 HG2 LYS A 56 -21.581 2.492 -6.435 1.00 2.63 H new ATOM 0 HG3 LYS A 56 -22.291 3.982 -5.845 1.00 2.63 H new ATOM 0 HD2 LYS A 56 -20.925 5.299 -7.417 1.00 3.33 H new ATOM 0 HD3 LYS A 56 -20.103 3.850 -7.959 1.00 3.33 H new ATOM 0 HE2 LYS A 56 -23.094 4.371 -8.234 1.00 3.92 H new ATOM 0 HE3 LYS A 56 -21.917 4.573 -9.517 1.00 3.92 H new ATOM 0 HZ1 LYS A 56 -22.789 2.476 -9.886 1.00 4.46 H new ATOM 0 HZ2 LYS A 56 -21.347 2.126 -9.061 1.00 4.46 H new ATOM 0 HZ3 LYS A 56 -22.831 2.069 -8.238 1.00 4.46 H new ATOM 860 N ILE A 57 -18.364 1.870 -3.465 1.00 0.92 N ATOM 861 CA ILE A 57 -17.200 1.504 -2.657 1.00 0.72 C ATOM 862 C ILE A 57 -17.649 0.714 -1.434 1.00 0.69 C ATOM 863 O ILE A 57 -17.841 1.263 -0.347 1.00 0.80 O ATOM 864 CB ILE A 57 -16.334 2.711 -2.203 1.00 0.65 C ATOM 865 CG1 ILE A 57 -16.058 3.673 -3.365 1.00 0.73 C ATOM 866 CG2 ILE A 57 -15.016 2.207 -1.636 1.00 0.71 C ATOM 867 CD1 ILE A 57 -15.307 4.923 -2.950 1.00 0.75 C ATOM 0 H ILE A 57 -18.449 1.329 -4.325 1.00 0.92 H new ATOM 0 HA ILE A 57 -16.565 0.898 -3.304 1.00 0.72 H new ATOM 0 HB ILE A 57 -16.887 3.255 -1.437 1.00 0.65 H new ATOM 0 HG12 ILE A 57 -15.483 3.151 -4.130 1.00 0.73 H new ATOM 0 HG13 ILE A 57 -17.005 3.962 -3.820 1.00 0.73 H new ATOM 0 HG21 ILE A 57 -14.409 3.055 -1.318 1.00 0.71 H new ATOM 0 HG22 ILE A 57 -15.212 1.559 -0.781 1.00 0.71 H new ATOM 0 HG23 ILE A 57 -14.481 1.645 -2.402 1.00 0.71 H new ATOM 0 HD11 ILE A 57 -15.147 5.557 -3.822 1.00 0.75 H new ATOM 0 HD12 ILE A 57 -15.890 5.468 -2.207 1.00 0.75 H new ATOM 0 HD13 ILE A 57 -14.344 4.644 -2.522 1.00 0.75 H new ATOM 879 N THR A 58 -17.855 -0.579 -1.623 1.00 0.71 N ATOM 880 CA THR A 58 -18.208 -1.451 -0.522 1.00 0.71 C ATOM 881 C THR A 58 -16.977 -2.173 -0.027 1.00 0.71 C ATOM 882 O THR A 58 -16.564 -3.185 -0.600 1.00 0.82 O ATOM 883 CB THR A 58 -19.266 -2.490 -0.912 1.00 0.85 C ATOM 884 OG1 THR A 58 -20.410 -1.829 -1.473 1.00 0.96 O ATOM 885 CG2 THR A 58 -19.668 -3.305 0.314 1.00 0.86 C ATOM 0 H THR A 58 -17.783 -1.044 -2.528 1.00 0.71 H new ATOM 0 HA THR A 58 -18.628 -0.820 0.261 1.00 0.71 H new ATOM 0 HB THR A 58 -18.851 -3.167 -1.659 1.00 0.85 H new ATOM 0 HG1 THR A 58 -20.511 -0.945 -1.063 1.00 0.96 H new ATOM 0 HG21 THR A 58 -20.420 -4.042 0.031 1.00 0.86 H new ATOM 0 HG22 THR A 58 -18.792 -3.816 0.714 1.00 0.86 H new ATOM 0 HG23 THR A 58 -20.079 -2.640 1.074 1.00 0.86 H new ATOM 893 N PHE A 59 -16.390 -1.647 1.027 1.00 0.67 N ATOM 894 CA PHE A 59 -15.192 -2.236 1.585 1.00 0.77 C ATOM 895 C PHE A 59 -15.489 -3.657 2.055 1.00 0.96 C ATOM 896 O PHE A 59 -16.524 -3.900 2.675 1.00 1.57 O ATOM 897 CB PHE A 59 -14.651 -1.364 2.726 1.00 0.80 C ATOM 898 CG PHE A 59 -14.286 0.027 2.277 1.00 0.72 C ATOM 899 CD1 PHE A 59 -13.173 0.241 1.478 1.00 1.07 C ATOM 900 CD2 PHE A 59 -15.068 1.118 2.629 1.00 1.04 C ATOM 901 CE1 PHE A 59 -12.842 1.513 1.046 1.00 1.10 C ATOM 902 CE2 PHE A 59 -14.742 2.393 2.197 1.00 1.06 C ATOM 903 CZ PHE A 59 -13.630 2.589 1.405 1.00 0.80 C ATOM 0 H PHE A 59 -16.722 -0.814 1.514 1.00 0.67 H new ATOM 0 HA PHE A 59 -14.420 -2.287 0.818 1.00 0.77 H new ATOM 0 HB2 PHE A 59 -15.400 -1.301 3.515 1.00 0.80 H new ATOM 0 HB3 PHE A 59 -13.773 -1.843 3.158 1.00 0.80 H new ATOM 0 HD1 PHE A 59 -12.556 -0.597 1.189 1.00 1.07 H new ATOM 0 HD2 PHE A 59 -15.941 0.971 3.247 1.00 1.04 H new ATOM 0 HE1 PHE A 59 -11.969 1.664 0.429 1.00 1.10 H new ATOM 0 HE2 PHE A 59 -15.358 3.233 2.480 1.00 1.06 H new ATOM 0 HZ PHE A 59 -13.376 3.582 1.066 1.00 0.80 H new ATOM 913 N LEU A 60 -14.600 -4.590 1.701 1.00 1.19 N ATOM 914 CA LEU A 60 -14.740 -6.005 2.060 1.00 1.38 C ATOM 915 C LEU A 60 -15.973 -6.615 1.394 1.00 1.95 C ATOM 916 O LEU A 60 -17.103 -6.438 1.849 1.00 2.65 O ATOM 917 CB LEU A 60 -14.803 -6.189 3.583 1.00 1.84 C ATOM 918 CG LEU A 60 -14.928 -7.638 4.061 1.00 2.35 C ATOM 919 CD1 LEU A 60 -13.709 -8.446 3.643 1.00 2.89 C ATOM 920 CD2 LEU A 60 -15.107 -7.686 5.569 1.00 3.21 C ATOM 0 H LEU A 60 -13.762 -4.385 1.157 1.00 1.19 H new ATOM 0 HA LEU A 60 -13.857 -6.529 1.694 1.00 1.38 H new ATOM 0 HB2 LEU A 60 -13.905 -5.755 4.023 1.00 1.84 H new ATOM 0 HB3 LEU A 60 -15.652 -5.623 3.966 1.00 1.84 H new ATOM 0 HG LEU A 60 -15.809 -8.080 3.594 1.00 2.35 H new ATOM 0 HD11 LEU A 60 -13.816 -9.473 3.992 1.00 2.89 H new ATOM 0 HD12 LEU A 60 -13.623 -8.439 2.556 1.00 2.89 H new ATOM 0 HD13 LEU A 60 -12.813 -8.006 4.081 1.00 2.89 H new ATOM 0 HD21 LEU A 60 -15.194 -8.723 5.892 1.00 3.21 H new ATOM 0 HD22 LEU A 60 -14.245 -7.227 6.053 1.00 3.21 H new ATOM 0 HD23 LEU A 60 -16.010 -7.143 5.846 1.00 3.21 H new ATOM 932 N ASP A 61 -15.739 -7.349 0.314 1.00 2.43 N ATOM 933 CA ASP A 61 -16.823 -7.930 -0.475 1.00 3.40 C ATOM 934 C ASP A 61 -17.431 -9.141 0.234 1.00 3.45 C ATOM 935 O ASP A 61 -18.436 -9.015 0.938 1.00 3.73 O ATOM 936 CB ASP A 61 -16.300 -8.340 -1.856 1.00 4.36 C ATOM 937 CG ASP A 61 -17.399 -8.659 -2.853 1.00 5.14 C ATOM 938 OD1 ASP A 61 -18.324 -9.423 -2.514 1.00 5.55 O ATOM 939 OD2 ASP A 61 -17.317 -8.166 -4.001 1.00 5.61 O ATOM 0 H ASP A 61 -14.805 -7.558 -0.039 1.00 2.43 H new ATOM 0 HA ASP A 61 -17.603 -7.177 -0.592 1.00 3.40 H new ATOM 0 HB2 ASP A 61 -15.682 -7.535 -2.255 1.00 4.36 H new ATOM 0 HB3 ASP A 61 -15.656 -9.212 -1.747 1.00 4.36 H new ATOM 944 N THR A 62 -16.811 -10.302 0.062 1.00 3.65 N ATOM 945 CA THR A 62 -17.324 -11.534 0.645 1.00 4.03 C ATOM 946 C THR A 62 -16.187 -12.359 1.257 1.00 4.27 C ATOM 947 O THR A 62 -15.275 -12.784 0.555 1.00 4.71 O ATOM 948 CB THR A 62 -18.060 -12.378 -0.415 1.00 4.83 C ATOM 949 OG1 THR A 62 -19.055 -11.582 -1.076 1.00 5.19 O ATOM 950 CG2 THR A 62 -18.728 -13.588 0.221 1.00 5.45 C ATOM 0 H THR A 62 -15.952 -10.415 -0.477 1.00 3.65 H new ATOM 0 HA THR A 62 -18.028 -11.260 1.431 1.00 4.03 H new ATOM 0 HB THR A 62 -17.323 -12.723 -1.141 1.00 4.83 H new ATOM 0 HG1 THR A 62 -18.624 -11.008 -1.744 1.00 5.19 H new ATOM 0 HG21 THR A 62 -19.240 -14.167 -0.548 1.00 5.45 H new ATOM 0 HG22 THR A 62 -17.973 -14.210 0.701 1.00 5.45 H new ATOM 0 HG23 THR A 62 -19.450 -13.255 0.966 1.00 5.45 H new ATOM 958 N PRO A 63 -16.224 -12.583 2.580 1.00 4.49 N ATOM 959 CA PRO A 63 -15.210 -13.379 3.269 1.00 5.20 C ATOM 960 C PRO A 63 -15.408 -14.880 3.052 1.00 5.56 C ATOM 961 O PRO A 63 -16.532 -15.347 2.860 1.00 6.11 O ATOM 962 CB PRO A 63 -15.422 -13.014 4.739 1.00 5.69 C ATOM 963 CG PRO A 63 -16.865 -12.657 4.836 1.00 5.34 C ATOM 964 CD PRO A 63 -17.257 -12.077 3.503 1.00 4.58 C ATOM 0 HA PRO A 63 -14.204 -13.172 2.905 1.00 5.20 H new ATOM 0 HB2 PRO A 63 -15.176 -13.850 5.394 1.00 5.69 H new ATOM 0 HB3 PRO A 63 -14.787 -12.179 5.035 1.00 5.69 H new ATOM 0 HG2 PRO A 63 -17.467 -13.536 5.068 1.00 5.34 H new ATOM 0 HG3 PRO A 63 -17.033 -11.936 5.636 1.00 5.34 H new ATOM 0 HD2 PRO A 63 -18.254 -12.401 3.204 1.00 4.58 H new ATOM 0 HD3 PRO A 63 -17.270 -10.987 3.529 1.00 4.58 H new ATOM 972 N GLY A 64 -14.317 -15.633 3.090 1.00 5.49 N ATOM 973 CA GLY A 64 -14.396 -17.067 2.885 1.00 6.04 C ATOM 974 C GLY A 64 -13.523 -17.534 1.738 1.00 5.99 C ATOM 975 O GLY A 64 -12.303 -17.634 1.880 1.00 6.36 O ATOM 0 H GLY A 64 -13.377 -15.276 3.259 1.00 5.49 H new ATOM 0 HA2 GLY A 64 -14.096 -17.579 3.799 1.00 6.04 H new ATOM 0 HA3 GLY A 64 -15.431 -17.347 2.688 1.00 6.04 H new ATOM 979 N HIS A 65 -14.152 -17.802 0.596 1.00 5.85 N ATOM 980 CA HIS A 65 -13.448 -18.312 -0.581 1.00 6.04 C ATOM 981 C HIS A 65 -12.388 -17.329 -1.048 1.00 5.42 C ATOM 982 O HIS A 65 -11.203 -17.652 -1.101 1.00 5.51 O ATOM 983 CB HIS A 65 -14.425 -18.575 -1.732 1.00 6.53 C ATOM 984 CG HIS A 65 -15.490 -19.581 -1.422 1.00 7.30 C ATOM 985 ND1 HIS A 65 -15.289 -20.941 -1.492 1.00 8.05 N ATOM 986 CD2 HIS A 65 -16.781 -19.415 -1.051 1.00 7.71 C ATOM 987 CE1 HIS A 65 -16.407 -21.567 -1.180 1.00 8.78 C ATOM 988 NE2 HIS A 65 -17.327 -20.661 -0.906 1.00 8.61 N ATOM 0 H HIS A 65 -15.155 -17.674 0.459 1.00 5.85 H new ATOM 0 HA HIS A 65 -12.970 -19.248 -0.292 1.00 6.04 H new ATOM 0 HB2 HIS A 65 -14.901 -17.635 -2.011 1.00 6.53 H new ATOM 0 HB3 HIS A 65 -13.861 -18.917 -2.600 1.00 6.53 H new ATOM 0 HD2 HIS A 65 -17.287 -18.473 -0.898 1.00 7.71 H new ATOM 0 HE1 HIS A 65 -16.546 -22.638 -1.153 1.00 8.78 H new ATOM 0 HE2 HIS A 65 -18.289 -20.858 -0.631 1.00 8.61 H new ATOM 997 N GLU A 66 -12.829 -16.130 -1.390 1.00 5.13 N ATOM 998 CA GLU A 66 -11.927 -15.074 -1.817 1.00 4.83 C ATOM 999 C GLU A 66 -12.191 -13.831 -0.987 1.00 4.30 C ATOM 1000 O GLU A 66 -13.130 -13.089 -1.257 1.00 4.72 O ATOM 1001 CB GLU A 66 -12.128 -14.768 -3.303 1.00 5.31 C ATOM 1002 CG GLU A 66 -11.984 -15.983 -4.205 1.00 5.97 C ATOM 1003 CD GLU A 66 -12.313 -15.688 -5.656 1.00 6.59 C ATOM 1004 OE1 GLU A 66 -13.474 -15.341 -5.953 1.00 6.87 O ATOM 1005 OE2 GLU A 66 -11.414 -15.823 -6.515 1.00 7.05 O ATOM 0 H GLU A 66 -13.813 -15.863 -1.380 1.00 5.13 H new ATOM 0 HA GLU A 66 -10.897 -15.399 -1.672 1.00 4.83 H new ATOM 0 HB2 GLU A 66 -13.119 -14.337 -3.445 1.00 5.31 H new ATOM 0 HB3 GLU A 66 -11.405 -14.012 -3.610 1.00 5.31 H new ATOM 0 HG2 GLU A 66 -10.963 -16.358 -4.139 1.00 5.97 H new ATOM 0 HG3 GLU A 66 -12.639 -16.776 -3.844 1.00 5.97 H new ATOM 1012 N ALA A 67 -11.366 -13.620 0.030 1.00 3.82 N ATOM 1013 CA ALA A 67 -11.561 -12.518 0.971 1.00 3.70 C ATOM 1014 C ALA A 67 -11.141 -11.177 0.383 1.00 2.58 C ATOM 1015 O ALA A 67 -10.313 -10.460 0.943 1.00 2.95 O ATOM 1016 CB ALA A 67 -10.809 -12.784 2.260 1.00 4.55 C ATOM 0 H ALA A 67 -10.550 -14.199 0.227 1.00 3.82 H new ATOM 0 HA ALA A 67 -12.629 -12.460 1.182 1.00 3.70 H new ATOM 0 HB1 ALA A 67 -10.964 -11.954 2.950 1.00 4.55 H new ATOM 0 HB2 ALA A 67 -11.176 -13.705 2.712 1.00 4.55 H new ATOM 0 HB3 ALA A 67 -9.745 -12.884 2.046 1.00 4.55 H new ATOM 1022 N PHE A 68 -11.722 -10.861 -0.754 1.00 1.79 N ATOM 1023 CA PHE A 68 -11.563 -9.569 -1.393 1.00 1.15 C ATOM 1024 C PHE A 68 -12.693 -9.353 -2.396 1.00 1.77 C ATOM 1025 O PHE A 68 -13.698 -10.058 -2.349 1.00 2.37 O ATOM 1026 CB PHE A 68 -10.176 -9.409 -2.054 1.00 1.18 C ATOM 1027 CG PHE A 68 -9.669 -10.604 -2.817 1.00 1.12 C ATOM 1028 CD1 PHE A 68 -10.408 -11.170 -3.844 1.00 1.67 C ATOM 1029 CD2 PHE A 68 -8.424 -11.144 -2.517 1.00 1.08 C ATOM 1030 CE1 PHE A 68 -9.920 -12.249 -4.553 1.00 2.10 C ATOM 1031 CE2 PHE A 68 -7.935 -12.224 -3.221 1.00 1.52 C ATOM 1032 CZ PHE A 68 -8.684 -12.778 -4.240 1.00 2.00 C ATOM 0 H PHE A 68 -12.326 -11.501 -1.269 1.00 1.79 H new ATOM 0 HA PHE A 68 -11.620 -8.798 -0.624 1.00 1.15 H new ATOM 0 HB2 PHE A 68 -10.215 -8.558 -2.734 1.00 1.18 H new ATOM 0 HB3 PHE A 68 -9.451 -9.164 -1.278 1.00 1.18 H new ATOM 0 HD1 PHE A 68 -11.377 -10.762 -4.092 1.00 1.67 H new ATOM 0 HD2 PHE A 68 -7.833 -10.713 -1.723 1.00 1.08 H new ATOM 0 HE1 PHE A 68 -10.505 -12.679 -5.352 1.00 2.10 H new ATOM 0 HE2 PHE A 68 -6.967 -12.636 -2.976 1.00 1.52 H new ATOM 0 HZ PHE A 68 -8.303 -13.625 -4.792 1.00 2.00 H new ATOM 1042 N THR A 69 -12.540 -8.375 -3.276 1.00 2.35 N ATOM 1043 CA THR A 69 -13.581 -8.033 -4.237 1.00 3.31 C ATOM 1044 C THR A 69 -13.928 -9.220 -5.146 1.00 3.54 C ATOM 1045 O THR A 69 -13.044 -9.897 -5.680 1.00 3.89 O ATOM 1046 CB THR A 69 -13.158 -6.814 -5.089 1.00 4.11 C ATOM 1047 OG1 THR A 69 -14.178 -6.483 -6.041 1.00 4.46 O ATOM 1048 CG2 THR A 69 -11.841 -7.075 -5.811 1.00 4.90 C ATOM 0 H THR A 69 -11.700 -7.800 -3.345 1.00 2.35 H new ATOM 0 HA THR A 69 -14.475 -7.775 -3.669 1.00 3.31 H new ATOM 0 HB THR A 69 -13.018 -5.972 -4.411 1.00 4.11 H new ATOM 0 HG1 THR A 69 -14.114 -7.085 -6.811 1.00 4.46 H new ATOM 0 HG21 THR A 69 -11.570 -6.200 -6.402 1.00 4.90 H new ATOM 0 HG22 THR A 69 -11.058 -7.275 -5.079 1.00 4.90 H new ATOM 0 HG23 THR A 69 -11.951 -7.937 -6.469 1.00 4.90 H new ATOM 1056 N THR A 70 -15.224 -9.484 -5.306 1.00 3.82 N ATOM 1057 CA THR A 70 -15.670 -10.563 -6.171 1.00 4.35 C ATOM 1058 C THR A 70 -15.715 -10.105 -7.624 1.00 4.41 C ATOM 1059 O THR A 70 -16.761 -9.727 -8.151 1.00 4.95 O ATOM 1060 CB THR A 70 -17.047 -11.122 -5.745 1.00 5.16 C ATOM 1061 OG1 THR A 70 -18.010 -10.065 -5.625 1.00 5.40 O ATOM 1062 CG2 THR A 70 -16.937 -11.876 -4.427 1.00 5.84 C ATOM 0 H THR A 70 -15.975 -8.967 -4.849 1.00 3.82 H new ATOM 0 HA THR A 70 -14.944 -11.370 -6.073 1.00 4.35 H new ATOM 0 HB THR A 70 -17.382 -11.814 -6.518 1.00 5.16 H new ATOM 0 HG1 THR A 70 -17.561 -9.245 -5.332 1.00 5.40 H new ATOM 0 HG21 THR A 70 -17.917 -12.261 -4.145 1.00 5.84 H new ATOM 0 HG22 THR A 70 -16.240 -12.706 -4.540 1.00 5.84 H new ATOM 0 HG23 THR A 70 -16.576 -11.201 -3.651 1.00 5.84 H new ATOM 1070 N MET A 71 -14.552 -10.149 -8.264 1.00 4.19 N ATOM 1071 CA MET A 71 -14.393 -9.730 -9.657 1.00 4.50 C ATOM 1072 C MET A 71 -15.341 -10.493 -10.579 1.00 4.86 C ATOM 1073 O MET A 71 -15.786 -9.967 -11.596 1.00 5.21 O ATOM 1074 CB MET A 71 -12.948 -9.960 -10.097 1.00 4.42 C ATOM 1075 CG MET A 71 -11.935 -9.144 -9.309 1.00 4.38 C ATOM 1076 SD MET A 71 -10.252 -9.766 -9.482 1.00 4.69 S ATOM 1077 CE MET A 71 -10.406 -11.368 -8.695 1.00 4.34 C ATOM 0 H MET A 71 -13.688 -10.477 -7.832 1.00 4.19 H new ATOM 0 HA MET A 71 -14.638 -8.670 -9.725 1.00 4.50 H new ATOM 0 HB2 MET A 71 -12.709 -11.018 -9.993 1.00 4.42 H new ATOM 0 HB3 MET A 71 -12.856 -9.715 -11.155 1.00 4.42 H new ATOM 0 HG2 MET A 71 -11.971 -8.107 -9.644 1.00 4.38 H new ATOM 0 HG3 MET A 71 -12.213 -9.148 -8.255 1.00 4.38 H new ATOM 0 HE1 MET A 71 -9.440 -11.669 -8.290 1.00 4.34 H new ATOM 0 HE2 MET A 71 -11.135 -11.308 -7.887 1.00 4.34 H new ATOM 0 HE3 MET A 71 -10.737 -12.103 -9.428 1.00 4.34 H new ATOM 1087 N ARG A 72 -15.664 -11.720 -10.186 1.00 5.04 N ATOM 1088 CA ARG A 72 -16.498 -12.617 -10.983 1.00 5.54 C ATOM 1089 C ARG A 72 -17.845 -11.978 -11.336 1.00 5.80 C ATOM 1090 O ARG A 72 -18.139 -11.729 -12.506 1.00 6.36 O ATOM 1091 CB ARG A 72 -16.743 -13.912 -10.206 1.00 5.95 C ATOM 1092 CG ARG A 72 -15.470 -14.546 -9.669 1.00 6.36 C ATOM 1093 CD ARG A 72 -15.766 -15.752 -8.798 1.00 6.73 C ATOM 1094 NE ARG A 72 -14.547 -16.306 -8.218 1.00 7.09 N ATOM 1095 CZ ARG A 72 -13.989 -17.447 -8.605 1.00 7.63 C ATOM 1096 NH1 ARG A 72 -14.597 -18.214 -9.501 1.00 7.86 N ATOM 1097 NH2 ARG A 72 -12.831 -17.825 -8.081 1.00 8.21 N ATOM 0 H ARG A 72 -15.354 -12.124 -9.302 1.00 5.04 H new ATOM 0 HA ARG A 72 -15.969 -12.825 -11.913 1.00 5.54 H new ATOM 0 HB2 ARG A 72 -17.416 -13.705 -9.374 1.00 5.95 H new ATOM 0 HB3 ARG A 72 -17.249 -14.626 -10.856 1.00 5.95 H new ATOM 0 HG2 ARG A 72 -14.834 -14.846 -10.502 1.00 6.36 H new ATOM 0 HG3 ARG A 72 -14.912 -13.809 -9.092 1.00 6.36 H new ATOM 0 HD2 ARG A 72 -16.452 -15.466 -8.001 1.00 6.73 H new ATOM 0 HD3 ARG A 72 -16.268 -16.516 -9.392 1.00 6.73 H new ATOM 0 HE ARG A 72 -14.095 -15.784 -7.468 1.00 7.09 H new ATOM 0 HH11 ARG A 72 -15.494 -17.927 -9.893 1.00 7.86 H new ATOM 0 HH12 ARG A 72 -14.167 -19.090 -9.798 1.00 7.86 H new ATOM 0 HH21 ARG A 72 -12.372 -17.240 -7.383 1.00 8.21 H new ATOM 0 HH22 ARG A 72 -12.399 -18.701 -8.376 1.00 8.21 H new ATOM 1111 N ALA A 73 -18.641 -11.696 -10.313 1.00 5.58 N ATOM 1112 CA ALA A 73 -20.006 -11.221 -10.511 1.00 6.01 C ATOM 1113 C ALA A 73 -20.051 -9.709 -10.694 1.00 5.86 C ATOM 1114 O ALA A 73 -21.125 -9.117 -10.809 1.00 6.36 O ATOM 1115 CB ALA A 73 -20.877 -11.637 -9.336 1.00 6.36 C ATOM 0 H ALA A 73 -18.365 -11.788 -9.335 1.00 5.58 H new ATOM 0 HA ALA A 73 -20.392 -11.676 -11.423 1.00 6.01 H new ATOM 0 HB1 ALA A 73 -21.894 -11.278 -9.492 1.00 6.36 H new ATOM 0 HB2 ALA A 73 -20.884 -12.724 -9.255 1.00 6.36 H new ATOM 0 HB3 ALA A 73 -20.478 -11.207 -8.417 1.00 6.36 H new ATOM 1121 N ARG A 74 -18.886 -9.080 -10.728 1.00 5.40 N ATOM 1122 CA ARG A 74 -18.812 -7.635 -10.869 1.00 5.50 C ATOM 1123 C ARG A 74 -18.279 -7.265 -12.250 1.00 5.18 C ATOM 1124 O ARG A 74 -18.010 -6.097 -12.534 1.00 5.49 O ATOM 1125 CB ARG A 74 -17.913 -7.045 -9.781 1.00 6.12 C ATOM 1126 CG ARG A 74 -18.445 -5.759 -9.158 1.00 6.76 C ATOM 1127 CD ARG A 74 -19.579 -6.025 -8.176 1.00 7.55 C ATOM 1128 NE ARG A 74 -20.801 -6.494 -8.834 1.00 8.14 N ATOM 1129 CZ ARG A 74 -21.945 -6.736 -8.193 1.00 8.93 C ATOM 1130 NH1 ARG A 74 -22.011 -6.633 -6.869 1.00 9.21 N ATOM 1131 NH2 ARG A 74 -23.017 -7.112 -8.880 1.00 9.65 N ATOM 0 H ARG A 74 -17.981 -9.547 -10.660 1.00 5.40 H new ATOM 0 HA ARG A 74 -19.814 -7.221 -10.759 1.00 5.50 H new ATOM 0 HB2 ARG A 74 -17.779 -7.788 -8.995 1.00 6.12 H new ATOM 0 HB3 ARG A 74 -16.929 -6.849 -10.206 1.00 6.12 H new ATOM 0 HG2 ARG A 74 -17.634 -5.243 -8.644 1.00 6.76 H new ATOM 0 HG3 ARG A 74 -18.797 -5.093 -9.946 1.00 6.76 H new ATOM 0 HD2 ARG A 74 -19.256 -6.769 -7.447 1.00 7.55 H new ATOM 0 HD3 ARG A 74 -19.797 -5.111 -7.623 1.00 7.55 H new ATOM 0 HE ARG A 74 -20.775 -6.644 -9.843 1.00 8.14 H new ATOM 0 HH11 ARG A 74 -21.183 -6.367 -6.336 1.00 9.21 H new ATOM 0 HH12 ARG A 74 -22.890 -6.820 -6.386 1.00 9.21 H new ATOM 0 HH21 ARG A 74 -22.963 -7.215 -9.893 1.00 9.65 H new ATOM 0 HH22 ARG A 74 -23.894 -7.298 -8.394 1.00 9.65 H new ATOM 1145 N GLY A 75 -18.137 -8.266 -13.105 1.00 4.93 N ATOM 1146 CA GLY A 75 -17.589 -8.053 -14.428 1.00 4.87 C ATOM 1147 C GLY A 75 -16.324 -8.854 -14.633 1.00 4.49 C ATOM 1148 O GLY A 75 -16.370 -10.081 -14.725 1.00 4.54 O ATOM 0 H GLY A 75 -18.395 -9.232 -12.903 1.00 4.93 H new ATOM 0 HA2 GLY A 75 -18.327 -8.335 -15.179 1.00 4.87 H new ATOM 0 HA3 GLY A 75 -17.378 -6.993 -14.570 1.00 4.87 H new ATOM 1152 N ALA A 76 -15.194 -8.166 -14.695 1.00 4.53 N ATOM 1153 CA ALA A 76 -13.902 -8.826 -14.777 1.00 4.52 C ATOM 1154 C ALA A 76 -12.854 -8.037 -14.002 1.00 3.91 C ATOM 1155 O ALA A 76 -12.723 -8.193 -12.789 1.00 4.15 O ATOM 1156 CB ALA A 76 -13.478 -9.022 -16.227 1.00 5.47 C ATOM 0 H ALA A 76 -15.147 -7.147 -14.690 1.00 4.53 H new ATOM 0 HA ALA A 76 -13.992 -9.813 -14.324 1.00 4.52 H new ATOM 0 HB1 ALA A 76 -12.508 -9.518 -16.259 1.00 5.47 H new ATOM 0 HB2 ALA A 76 -14.217 -9.636 -16.742 1.00 5.47 H new ATOM 0 HB3 ALA A 76 -13.406 -8.052 -16.719 1.00 5.47 H new ATOM 1162 N GLN A 77 -12.136 -7.159 -14.691 1.00 3.61 N ATOM 1163 CA GLN A 77 -11.143 -6.315 -14.040 1.00 3.40 C ATOM 1164 C GLN A 77 -11.609 -4.866 -14.045 1.00 2.90 C ATOM 1165 O GLN A 77 -11.061 -4.021 -14.753 1.00 3.33 O ATOM 1166 CB GLN A 77 -9.780 -6.445 -14.727 1.00 4.25 C ATOM 1167 CG GLN A 77 -9.248 -7.871 -14.762 1.00 4.87 C ATOM 1168 CD GLN A 77 -7.838 -7.972 -15.308 1.00 5.70 C ATOM 1169 OE1 GLN A 77 -7.471 -7.068 -16.205 1.00 6.14 O flip ATOM 1170 NE2 GLN A 77 -7.082 -8.870 -14.932 1.00 6.26 N flip ATOM 0 H GLN A 77 -12.222 -7.013 -15.697 1.00 3.61 H new ATOM 0 HA GLN A 77 -11.030 -6.646 -13.007 1.00 3.40 H new ATOM 0 HB2 GLN A 77 -9.860 -6.071 -15.748 1.00 4.25 H new ATOM 0 HB3 GLN A 77 -9.060 -5.810 -14.210 1.00 4.25 H new ATOM 0 HG2 GLN A 77 -9.270 -8.284 -13.754 1.00 4.87 H new ATOM 0 HG3 GLN A 77 -9.911 -8.484 -15.372 1.00 4.87 H new ATOM 0 HE21 GLN A 77 -7.400 -9.548 -14.240 1.00 6.26 H new ATOM 0 HE22 GLN A 77 -6.138 -8.935 -15.313 1.00 6.26 H new ATOM 1179 N VAL A 78 -12.652 -4.599 -13.269 1.00 2.65 N ATOM 1180 CA VAL A 78 -13.216 -3.259 -13.167 1.00 2.75 C ATOM 1181 C VAL A 78 -13.488 -2.903 -11.710 1.00 2.21 C ATOM 1182 O VAL A 78 -14.235 -1.971 -11.417 1.00 2.72 O ATOM 1183 CB VAL A 78 -14.537 -3.132 -13.966 1.00 3.65 C ATOM 1184 CG1 VAL A 78 -14.293 -3.311 -15.455 1.00 4.31 C ATOM 1185 CG2 VAL A 78 -15.567 -4.138 -13.474 1.00 4.21 C ATOM 0 H VAL A 78 -13.127 -5.298 -12.698 1.00 2.65 H new ATOM 0 HA VAL A 78 -12.483 -2.571 -13.588 1.00 2.75 H new ATOM 0 HB VAL A 78 -14.929 -2.128 -13.802 1.00 3.65 H new ATOM 0 HG11 VAL A 78 -15.237 -3.217 -15.992 1.00 4.31 H new ATOM 0 HG12 VAL A 78 -13.599 -2.547 -15.804 1.00 4.31 H new ATOM 0 HG13 VAL A 78 -13.868 -4.298 -15.638 1.00 4.31 H new ATOM 0 HG21 VAL A 78 -16.486 -4.029 -14.050 1.00 4.21 H new ATOM 0 HG22 VAL A 78 -15.177 -5.148 -13.599 1.00 4.21 H new ATOM 0 HG23 VAL A 78 -15.777 -3.958 -12.420 1.00 4.21 H new ATOM 1195 N THR A 79 -12.887 -3.657 -10.798 1.00 1.82 N ATOM 1196 CA THR A 79 -13.137 -3.469 -9.374 1.00 1.90 C ATOM 1197 C THR A 79 -12.050 -4.131 -8.524 1.00 1.53 C ATOM 1198 O THR A 79 -12.175 -4.237 -7.299 1.00 1.82 O ATOM 1199 CB THR A 79 -14.527 -4.032 -8.986 1.00 2.70 C ATOM 1200 OG1 THR A 79 -14.778 -3.838 -7.590 1.00 3.20 O ATOM 1201 CG2 THR A 79 -14.631 -5.516 -9.320 1.00 3.41 C ATOM 0 H THR A 79 -12.225 -4.402 -11.017 1.00 1.82 H new ATOM 0 HA THR A 79 -13.119 -2.397 -9.176 1.00 1.90 H new ATOM 0 HB THR A 79 -15.275 -3.489 -9.564 1.00 2.70 H new ATOM 0 HG1 THR A 79 -13.934 -3.892 -7.095 1.00 3.20 H new ATOM 0 HG21 THR A 79 -15.617 -5.884 -9.037 1.00 3.41 H new ATOM 0 HG22 THR A 79 -14.484 -5.659 -10.390 1.00 3.41 H new ATOM 0 HG23 THR A 79 -13.867 -6.067 -8.772 1.00 3.41 H new ATOM 1209 N ASP A 80 -10.979 -4.553 -9.171 1.00 1.21 N ATOM 1210 CA ASP A 80 -9.898 -5.245 -8.485 1.00 1.14 C ATOM 1211 C ASP A 80 -8.982 -4.247 -7.780 1.00 0.88 C ATOM 1212 O ASP A 80 -7.992 -3.779 -8.338 1.00 1.12 O ATOM 1213 CB ASP A 80 -9.109 -6.112 -9.480 1.00 1.60 C ATOM 1214 CG ASP A 80 -8.712 -5.357 -10.734 1.00 2.14 C ATOM 1215 OD1 ASP A 80 -9.609 -4.961 -11.506 1.00 2.66 O ATOM 1216 OD2 ASP A 80 -7.496 -5.151 -10.947 1.00 2.60 O ATOM 0 H ASP A 80 -10.832 -4.429 -10.173 1.00 1.21 H new ATOM 0 HA ASP A 80 -10.326 -5.899 -7.725 1.00 1.14 H new ATOM 0 HB2 ASP A 80 -8.212 -6.492 -8.991 1.00 1.60 H new ATOM 0 HB3 ASP A 80 -9.711 -6.977 -9.758 1.00 1.60 H new ATOM 1221 N ILE A 81 -9.337 -3.919 -6.543 1.00 0.63 N ATOM 1222 CA ILE A 81 -8.558 -2.988 -5.734 1.00 0.42 C ATOM 1223 C ILE A 81 -8.594 -3.401 -4.262 1.00 0.38 C ATOM 1224 O ILE A 81 -9.663 -3.708 -3.722 1.00 0.57 O ATOM 1225 CB ILE A 81 -9.091 -1.536 -5.842 1.00 0.42 C ATOM 1226 CG1 ILE A 81 -9.096 -1.050 -7.297 1.00 0.56 C ATOM 1227 CG2 ILE A 81 -8.256 -0.605 -4.979 1.00 0.50 C ATOM 1228 CD1 ILE A 81 -9.702 0.325 -7.483 1.00 0.71 C ATOM 0 H ILE A 81 -10.165 -4.287 -6.075 1.00 0.63 H new ATOM 0 HA ILE A 81 -7.538 -3.020 -6.117 1.00 0.42 H new ATOM 0 HB ILE A 81 -10.120 -1.528 -5.483 1.00 0.42 H new ATOM 0 HG12 ILE A 81 -8.072 -1.038 -7.669 1.00 0.56 H new ATOM 0 HG13 ILE A 81 -9.648 -1.765 -7.907 1.00 0.56 H new ATOM 0 HG21 ILE A 81 -8.640 0.412 -5.063 1.00 0.50 H new ATOM 0 HG22 ILE A 81 -8.309 -0.928 -3.939 1.00 0.50 H new ATOM 0 HG23 ILE A 81 -7.219 -0.630 -5.315 1.00 0.50 H new ATOM 0 HD11 ILE A 81 -9.669 0.598 -8.538 1.00 0.71 H new ATOM 0 HD12 ILE A 81 -10.738 0.315 -7.143 1.00 0.71 H new ATOM 0 HD13 ILE A 81 -9.136 1.054 -6.902 1.00 0.71 H new ATOM 1240 N VAL A 82 -7.432 -3.426 -3.623 1.00 0.27 N ATOM 1241 CA VAL A 82 -7.358 -3.662 -2.187 1.00 0.28 C ATOM 1242 C VAL A 82 -6.650 -2.521 -1.485 1.00 0.23 C ATOM 1243 O VAL A 82 -5.547 -2.130 -1.860 1.00 0.26 O ATOM 1244 CB VAL A 82 -6.656 -4.992 -1.833 1.00 0.35 C ATOM 1245 CG1 VAL A 82 -6.228 -5.024 -0.363 1.00 1.02 C ATOM 1246 CG2 VAL A 82 -7.591 -6.148 -2.127 1.00 1.17 C ATOM 0 H VAL A 82 -6.529 -3.286 -4.075 1.00 0.27 H new ATOM 0 HA VAL A 82 -8.389 -3.726 -1.840 1.00 0.28 H new ATOM 0 HB VAL A 82 -5.757 -5.080 -2.443 1.00 0.35 H new ATOM 0 HG11 VAL A 82 -5.737 -5.973 -0.147 1.00 1.02 H new ATOM 0 HG12 VAL A 82 -5.536 -4.205 -0.168 1.00 1.02 H new ATOM 0 HG13 VAL A 82 -7.106 -4.916 0.274 1.00 1.02 H new ATOM 0 HG21 VAL A 82 -7.098 -7.087 -1.878 1.00 1.17 H new ATOM 0 HG22 VAL A 82 -8.497 -6.044 -1.530 1.00 1.17 H new ATOM 0 HG23 VAL A 82 -7.852 -6.145 -3.185 1.00 1.17 H new ATOM 1256 N ILE A 83 -7.305 -1.987 -0.479 1.00 0.22 N ATOM 1257 CA ILE A 83 -6.709 -0.978 0.364 1.00 0.19 C ATOM 1258 C ILE A 83 -5.930 -1.628 1.477 1.00 0.19 C ATOM 1259 O ILE A 83 -6.412 -2.532 2.146 1.00 0.24 O ATOM 1260 CB ILE A 83 -7.757 -0.025 0.959 1.00 0.22 C ATOM 1261 CG1 ILE A 83 -8.335 0.810 -0.163 1.00 0.27 C ATOM 1262 CG2 ILE A 83 -7.144 0.865 2.043 1.00 0.24 C ATOM 1263 CD1 ILE A 83 -9.268 1.908 0.301 1.00 0.37 C ATOM 0 H ILE A 83 -8.260 -2.239 -0.224 1.00 0.22 H new ATOM 0 HA ILE A 83 -6.041 -0.388 -0.263 1.00 0.19 H new ATOM 0 HB ILE A 83 -8.549 -0.604 1.434 1.00 0.22 H new ATOM 0 HG12 ILE A 83 -7.517 1.258 -0.727 1.00 0.27 H new ATOM 0 HG13 ILE A 83 -8.874 0.156 -0.848 1.00 0.27 H new ATOM 0 HG21 ILE A 83 -7.910 1.528 2.445 1.00 0.24 H new ATOM 0 HG22 ILE A 83 -6.747 0.242 2.844 1.00 0.24 H new ATOM 0 HG23 ILE A 83 -6.338 1.460 1.613 1.00 0.24 H new ATOM 0 HD11 ILE A 83 -9.639 2.460 -0.563 1.00 0.37 H new ATOM 0 HD12 ILE A 83 -10.108 1.469 0.839 1.00 0.37 H new ATOM 0 HD13 ILE A 83 -8.730 2.588 0.962 1.00 0.37 H new ATOM 1275 N LEU A 84 -4.726 -1.158 1.664 1.00 0.19 N ATOM 1276 CA LEU A 84 -3.870 -1.683 2.688 1.00 0.23 C ATOM 1277 C LEU A 84 -3.491 -0.541 3.626 1.00 0.24 C ATOM 1278 O LEU A 84 -2.789 0.389 3.238 1.00 0.31 O ATOM 1279 CB LEU A 84 -2.655 -2.365 2.030 1.00 0.39 C ATOM 1280 CG LEU A 84 -1.551 -2.875 2.960 1.00 0.31 C ATOM 1281 CD1 LEU A 84 -0.631 -1.736 3.326 1.00 0.91 C ATOM 1282 CD2 LEU A 84 -2.130 -3.527 4.213 1.00 1.01 C ATOM 0 H LEU A 84 -4.315 -0.405 1.113 1.00 0.19 H new ATOM 0 HA LEU A 84 -4.370 -2.446 3.285 1.00 0.23 H new ATOM 0 HB2 LEU A 84 -3.018 -3.208 1.442 1.00 0.39 H new ATOM 0 HB3 LEU A 84 -2.208 -1.658 1.331 1.00 0.39 H new ATOM 0 HG LEU A 84 -0.982 -3.640 2.432 1.00 0.31 H new ATOM 0 HD11 LEU A 84 0.154 -2.101 3.988 1.00 0.91 H new ATOM 0 HD12 LEU A 84 -0.182 -1.326 2.421 1.00 0.91 H new ATOM 0 HD13 LEU A 84 -1.200 -0.957 3.833 1.00 0.91 H new ATOM 0 HD21 LEU A 84 -1.317 -3.877 4.850 1.00 1.01 H new ATOM 0 HD22 LEU A 84 -2.730 -2.798 4.758 1.00 1.01 H new ATOM 0 HD23 LEU A 84 -2.757 -4.372 3.927 1.00 1.01 H new ATOM 1294 N VAL A 85 -4.007 -0.590 4.842 1.00 0.21 N ATOM 1295 CA VAL A 85 -3.787 0.455 5.814 1.00 0.27 C ATOM 1296 C VAL A 85 -2.638 0.093 6.747 1.00 0.25 C ATOM 1297 O VAL A 85 -2.715 -0.879 7.501 1.00 0.29 O ATOM 1298 CB VAL A 85 -5.064 0.695 6.641 1.00 0.34 C ATOM 1299 CG1 VAL A 85 -4.883 1.881 7.557 1.00 0.43 C ATOM 1300 CG2 VAL A 85 -6.266 0.900 5.731 1.00 0.40 C ATOM 0 H VAL A 85 -4.589 -1.357 5.179 1.00 0.21 H new ATOM 0 HA VAL A 85 -3.530 1.367 5.275 1.00 0.27 H new ATOM 0 HB VAL A 85 -5.248 -0.189 7.252 1.00 0.34 H new ATOM 0 HG11 VAL A 85 -5.794 2.037 8.134 1.00 0.43 H new ATOM 0 HG12 VAL A 85 -4.051 1.693 8.236 1.00 0.43 H new ATOM 0 HG13 VAL A 85 -4.673 2.771 6.963 1.00 0.43 H new ATOM 0 HG21 VAL A 85 -7.157 1.068 6.337 1.00 0.40 H new ATOM 0 HG22 VAL A 85 -6.094 1.765 5.091 1.00 0.40 H new ATOM 0 HG23 VAL A 85 -6.409 0.014 5.113 1.00 0.40 H new ATOM 1310 N VAL A 86 -1.566 0.866 6.664 1.00 0.22 N ATOM 1311 CA VAL A 86 -0.414 0.680 7.520 1.00 0.20 C ATOM 1312 C VAL A 86 -0.151 1.917 8.356 1.00 0.17 C ATOM 1313 O VAL A 86 -0.312 3.041 7.889 1.00 0.22 O ATOM 1314 CB VAL A 86 0.851 0.361 6.710 1.00 0.23 C ATOM 1315 CG1 VAL A 86 0.836 -1.080 6.257 1.00 0.49 C ATOM 1316 CG2 VAL A 86 0.987 1.299 5.517 1.00 0.64 C ATOM 0 H VAL A 86 -1.474 1.637 6.002 1.00 0.22 H new ATOM 0 HA VAL A 86 -0.645 -0.164 8.170 1.00 0.20 H new ATOM 0 HB VAL A 86 1.716 0.513 7.355 1.00 0.23 H new ATOM 0 HG11 VAL A 86 1.739 -1.291 5.684 1.00 0.49 H new ATOM 0 HG12 VAL A 86 0.797 -1.735 7.128 1.00 0.49 H new ATOM 0 HG13 VAL A 86 -0.039 -1.256 5.632 1.00 0.49 H new ATOM 0 HG21 VAL A 86 1.891 1.051 4.961 1.00 0.64 H new ATOM 0 HG22 VAL A 86 0.119 1.189 4.867 1.00 0.64 H new ATOM 0 HG23 VAL A 86 1.048 2.329 5.869 1.00 0.64 H new ATOM 1326 N ALA A 87 0.253 1.710 9.590 1.00 0.17 N ATOM 1327 CA ALA A 87 0.612 2.812 10.457 1.00 0.18 C ATOM 1328 C ALA A 87 2.020 3.270 10.147 1.00 0.16 C ATOM 1329 O ALA A 87 2.930 2.453 10.086 1.00 0.24 O ATOM 1330 CB ALA A 87 0.513 2.394 11.914 1.00 0.28 C ATOM 0 H ALA A 87 0.341 0.788 10.017 1.00 0.17 H new ATOM 0 HA ALA A 87 -0.081 3.635 10.283 1.00 0.18 H new ATOM 0 HB1 ALA A 87 0.786 3.234 12.553 1.00 0.28 H new ATOM 0 HB2 ALA A 87 -0.509 2.087 12.136 1.00 0.28 H new ATOM 0 HB3 ALA A 87 1.191 1.561 12.100 1.00 0.28 H new ATOM 1336 N ALA A 88 2.219 4.569 9.972 1.00 0.12 N ATOM 1337 CA ALA A 88 3.549 5.068 9.660 1.00 0.14 C ATOM 1338 C ALA A 88 4.410 5.041 10.896 1.00 0.16 C ATOM 1339 O ALA A 88 5.628 5.190 10.829 1.00 0.22 O ATOM 1340 CB ALA A 88 3.488 6.479 9.106 1.00 0.17 C ATOM 0 H ALA A 88 1.493 5.282 10.039 1.00 0.12 H new ATOM 0 HA ALA A 88 3.985 4.421 8.899 1.00 0.14 H new ATOM 0 HB1 ALA A 88 4.497 6.826 8.882 1.00 0.17 H new ATOM 0 HB2 ALA A 88 2.891 6.486 8.194 1.00 0.17 H new ATOM 0 HB3 ALA A 88 3.033 7.140 9.843 1.00 0.17 H new ATOM 1346 N ASP A 89 3.763 4.848 12.024 1.00 0.16 N ATOM 1347 CA ASP A 89 4.461 4.849 13.296 1.00 0.21 C ATOM 1348 C ASP A 89 4.923 3.440 13.685 1.00 0.22 C ATOM 1349 O ASP A 89 5.718 3.277 14.612 1.00 0.37 O ATOM 1350 CB ASP A 89 3.565 5.460 14.377 1.00 0.30 C ATOM 1351 CG ASP A 89 3.137 4.483 15.464 1.00 0.39 C ATOM 1352 OD1 ASP A 89 2.405 3.526 15.146 1.00 0.47 O ATOM 1353 OD2 ASP A 89 3.552 4.652 16.628 1.00 0.58 O ATOM 0 H ASP A 89 2.758 4.689 12.089 1.00 0.16 H new ATOM 0 HA ASP A 89 5.358 5.460 13.199 1.00 0.21 H new ATOM 0 HB2 ASP A 89 4.093 6.293 14.841 1.00 0.30 H new ATOM 0 HB3 ASP A 89 2.674 5.871 13.903 1.00 0.30 H new ATOM 1358 N ASP A 90 4.451 2.434 12.952 1.00 0.19 N ATOM 1359 CA ASP A 90 4.704 1.039 13.315 1.00 0.23 C ATOM 1360 C ASP A 90 5.120 0.210 12.092 1.00 0.25 C ATOM 1361 O ASP A 90 5.984 -0.663 12.187 1.00 0.42 O ATOM 1362 CB ASP A 90 3.459 0.455 13.972 1.00 0.26 C ATOM 1363 CG ASP A 90 3.777 -0.664 14.941 1.00 0.36 C ATOM 1364 OD1 ASP A 90 4.701 -0.503 15.761 1.00 0.56 O ATOM 1365 OD2 ASP A 90 3.126 -1.728 14.855 1.00 0.46 O ATOM 0 H ASP A 90 3.894 2.556 12.107 1.00 0.19 H new ATOM 0 HA ASP A 90 5.533 1.005 14.022 1.00 0.23 H new ATOM 0 HB2 ASP A 90 2.927 1.247 14.500 1.00 0.26 H new ATOM 0 HB3 ASP A 90 2.788 0.080 13.199 1.00 0.26 H new ATOM 1370 N GLY A 91 4.500 0.486 10.945 1.00 0.20 N ATOM 1371 CA GLY A 91 4.943 -0.094 9.683 1.00 0.21 C ATOM 1372 C GLY A 91 4.268 -1.405 9.332 1.00 0.22 C ATOM 1373 O GLY A 91 3.048 -1.520 9.398 1.00 0.37 O ATOM 0 H GLY A 91 3.693 1.105 10.866 1.00 0.20 H new ATOM 0 HA2 GLY A 91 4.759 0.622 8.882 1.00 0.21 H new ATOM 0 HA3 GLY A 91 6.020 -0.253 9.727 1.00 0.21 H new ATOM 1377 N VAL A 92 5.065 -2.382 8.928 1.00 0.26 N ATOM 1378 CA VAL A 92 4.551 -3.686 8.526 1.00 0.26 C ATOM 1379 C VAL A 92 4.715 -4.689 9.645 1.00 0.24 C ATOM 1380 O VAL A 92 5.780 -4.819 10.253 1.00 0.28 O ATOM 1381 CB VAL A 92 5.259 -4.197 7.257 1.00 0.32 C ATOM 1382 CG1 VAL A 92 5.090 -5.702 7.087 1.00 0.96 C ATOM 1383 CG2 VAL A 92 4.714 -3.477 6.044 1.00 1.03 C ATOM 0 H VAL A 92 6.080 -2.297 8.869 1.00 0.26 H new ATOM 0 HA VAL A 92 3.490 -3.570 8.305 1.00 0.26 H new ATOM 0 HB VAL A 92 6.324 -3.991 7.360 1.00 0.32 H new ATOM 0 HG11 VAL A 92 5.603 -6.026 6.181 1.00 0.96 H new ATOM 0 HG12 VAL A 92 5.516 -6.216 7.949 1.00 0.96 H new ATOM 0 HG13 VAL A 92 4.030 -5.943 7.009 1.00 0.96 H new ATOM 0 HG21 VAL A 92 5.217 -3.841 5.148 1.00 1.03 H new ATOM 0 HG22 VAL A 92 3.643 -3.664 5.960 1.00 1.03 H new ATOM 0 HG23 VAL A 92 4.888 -2.406 6.148 1.00 1.03 H new ATOM 1393 N MET A 93 3.635 -5.380 9.903 1.00 0.22 N ATOM 1394 CA MET A 93 3.547 -6.339 10.976 1.00 0.22 C ATOM 1395 C MET A 93 2.958 -7.630 10.411 1.00 0.22 C ATOM 1396 O MET A 93 2.560 -7.653 9.244 1.00 0.23 O ATOM 1397 CB MET A 93 2.660 -5.747 12.067 1.00 0.21 C ATOM 1398 CG MET A 93 3.104 -4.353 12.485 1.00 0.23 C ATOM 1399 SD MET A 93 4.574 -4.384 13.511 1.00 0.28 S ATOM 1400 CE MET A 93 3.807 -4.859 15.050 1.00 0.27 C ATOM 0 H MET A 93 2.774 -5.291 9.363 1.00 0.22 H new ATOM 0 HA MET A 93 4.523 -6.563 11.406 1.00 0.22 H new ATOM 0 HB2 MET A 93 1.630 -5.706 11.711 1.00 0.21 H new ATOM 0 HB3 MET A 93 2.671 -6.404 12.936 1.00 0.21 H new ATOM 0 HG2 MET A 93 3.298 -3.754 11.595 1.00 0.23 H new ATOM 0 HG3 MET A 93 2.295 -3.864 13.028 1.00 0.23 H new ATOM 0 HE1 MET A 93 3.939 -4.063 15.783 1.00 0.27 H new ATOM 0 HE2 MET A 93 2.743 -5.030 14.889 1.00 0.27 H new ATOM 0 HE3 MET A 93 4.270 -5.774 15.420 1.00 0.27 H new ATOM 1410 N PRO A 94 2.900 -8.715 11.197 1.00 0.25 N ATOM 1411 CA PRO A 94 2.385 -10.004 10.719 1.00 0.30 C ATOM 1412 C PRO A 94 1.030 -9.891 10.016 1.00 0.28 C ATOM 1413 O PRO A 94 0.904 -10.265 8.848 1.00 0.31 O ATOM 1414 CB PRO A 94 2.257 -10.831 11.997 1.00 0.37 C ATOM 1415 CG PRO A 94 3.260 -10.252 12.932 1.00 0.58 C ATOM 1416 CD PRO A 94 3.349 -8.787 12.604 1.00 0.30 C ATOM 0 HA PRO A 94 3.044 -10.442 9.969 1.00 0.30 H new ATOM 0 HB2 PRO A 94 1.250 -10.767 12.409 1.00 0.37 H new ATOM 0 HB3 PRO A 94 2.457 -11.885 11.807 1.00 0.37 H new ATOM 0 HG2 PRO A 94 2.956 -10.400 13.968 1.00 0.58 H new ATOM 0 HG3 PRO A 94 4.229 -10.737 12.811 1.00 0.58 H new ATOM 0 HD2 PRO A 94 2.713 -8.191 13.258 1.00 0.30 H new ATOM 0 HD3 PRO A 94 4.366 -8.412 12.720 1.00 0.30 H new ATOM 1424 N GLN A 95 0.028 -9.348 10.705 1.00 0.29 N ATOM 1425 CA GLN A 95 -1.309 -9.288 10.151 1.00 0.32 C ATOM 1426 C GLN A 95 -1.404 -8.248 9.031 1.00 0.31 C ATOM 1427 O GLN A 95 -2.352 -8.250 8.244 1.00 0.37 O ATOM 1428 CB GLN A 95 -2.337 -9.039 11.263 1.00 0.37 C ATOM 1429 CG GLN A 95 -3.197 -7.808 11.071 1.00 0.45 C ATOM 1430 CD GLN A 95 -4.529 -7.910 11.795 1.00 0.50 C ATOM 1431 OE1 GLN A 95 -4.576 -7.486 13.050 1.00 0.75 O flip ATOM 1432 NE2 GLN A 95 -5.516 -8.381 11.227 1.00 0.34 N flip ATOM 0 H GLN A 95 0.122 -8.949 11.639 1.00 0.29 H new ATOM 0 HA GLN A 95 -1.539 -10.252 9.698 1.00 0.32 H new ATOM 0 HB2 GLN A 95 -2.987 -9.911 11.339 1.00 0.37 H new ATOM 0 HB3 GLN A 95 -1.809 -8.951 12.213 1.00 0.37 H new ATOM 0 HG2 GLN A 95 -2.657 -6.932 11.431 1.00 0.45 H new ATOM 0 HG3 GLN A 95 -3.376 -7.656 10.007 1.00 0.45 H new ATOM 0 HE21 GLN A 95 -5.445 -8.698 10.260 1.00 0.34 H new ATOM 0 HE22 GLN A 95 -6.404 -8.454 11.724 1.00 0.34 H new ATOM 1441 N THR A 96 -0.396 -7.389 8.933 1.00 0.26 N ATOM 1442 CA THR A 96 -0.350 -6.402 7.875 1.00 0.25 C ATOM 1443 C THR A 96 -0.101 -7.089 6.548 1.00 0.25 C ATOM 1444 O THR A 96 -0.844 -6.916 5.583 1.00 0.31 O ATOM 1445 CB THR A 96 0.766 -5.383 8.097 1.00 0.25 C ATOM 1446 OG1 THR A 96 0.994 -5.217 9.494 1.00 0.24 O ATOM 1447 CG2 THR A 96 0.392 -4.049 7.484 1.00 0.28 C ATOM 0 H THR A 96 0.396 -7.360 9.575 1.00 0.26 H new ATOM 0 HA THR A 96 -1.308 -5.882 7.875 1.00 0.25 H new ATOM 0 HB THR A 96 1.674 -5.750 7.619 1.00 0.25 H new ATOM 0 HG1 THR A 96 1.249 -4.288 9.676 1.00 0.24 H new ATOM 0 HG21 THR A 96 1.197 -3.333 7.651 1.00 0.28 H new ATOM 0 HG22 THR A 96 0.232 -4.173 6.413 1.00 0.28 H new ATOM 0 HG23 THR A 96 -0.523 -3.680 7.947 1.00 0.28 H new ATOM 1455 N VAL A 97 0.950 -7.891 6.517 1.00 0.25 N ATOM 1456 CA VAL A 97 1.386 -8.488 5.293 1.00 0.31 C ATOM 1457 C VAL A 97 0.623 -9.761 4.922 1.00 0.23 C ATOM 1458 O VAL A 97 0.553 -10.103 3.751 1.00 0.24 O ATOM 1459 CB VAL A 97 2.905 -8.727 5.305 1.00 0.48 C ATOM 1460 CG1 VAL A 97 3.380 -9.344 6.602 1.00 1.02 C ATOM 1461 CG2 VAL A 97 3.304 -9.600 4.144 1.00 1.38 C ATOM 0 H VAL A 97 1.510 -8.136 7.334 1.00 0.25 H new ATOM 0 HA VAL A 97 1.153 -7.768 4.508 1.00 0.31 H new ATOM 0 HB VAL A 97 3.384 -7.752 5.213 1.00 0.48 H new ATOM 0 HG11 VAL A 97 4.459 -9.493 6.560 1.00 1.02 H new ATOM 0 HG12 VAL A 97 3.137 -8.680 7.431 1.00 1.02 H new ATOM 0 HG13 VAL A 97 2.887 -10.305 6.750 1.00 1.02 H new ATOM 0 HG21 VAL A 97 4.382 -9.762 4.164 1.00 1.38 H new ATOM 0 HG22 VAL A 97 2.792 -10.559 4.217 1.00 1.38 H new ATOM 0 HG23 VAL A 97 3.028 -9.112 3.210 1.00 1.38 H new ATOM 1471 N GLU A 98 0.023 -10.455 5.873 1.00 0.24 N ATOM 1472 CA GLU A 98 -0.790 -11.621 5.505 1.00 0.29 C ATOM 1473 C GLU A 98 -1.981 -11.165 4.664 1.00 0.31 C ATOM 1474 O GLU A 98 -2.517 -11.921 3.854 1.00 0.37 O ATOM 1475 CB GLU A 98 -1.250 -12.395 6.744 1.00 0.39 C ATOM 1476 CG GLU A 98 -2.068 -11.575 7.728 1.00 0.92 C ATOM 1477 CD GLU A 98 -2.482 -12.376 8.943 1.00 1.64 C ATOM 1478 OE1 GLU A 98 -1.720 -12.396 9.935 1.00 2.35 O ATOM 1479 OE2 GLU A 98 -3.567 -12.992 8.917 1.00 1.97 O ATOM 0 H GLU A 98 0.073 -10.250 6.871 1.00 0.24 H new ATOM 0 HA GLU A 98 -0.179 -12.303 4.914 1.00 0.29 H new ATOM 0 HB2 GLU A 98 -1.842 -13.252 6.423 1.00 0.39 H new ATOM 0 HB3 GLU A 98 -0.373 -12.788 7.258 1.00 0.39 H new ATOM 0 HG2 GLU A 98 -1.487 -10.710 8.047 1.00 0.92 H new ATOM 0 HG3 GLU A 98 -2.958 -11.194 7.227 1.00 0.92 H new ATOM 1486 N ALA A 99 -2.364 -9.907 4.852 1.00 0.31 N ATOM 1487 CA ALA A 99 -3.359 -9.262 4.008 1.00 0.35 C ATOM 1488 C ALA A 99 -2.753 -8.916 2.645 1.00 0.34 C ATOM 1489 O ALA A 99 -3.387 -9.093 1.606 1.00 0.44 O ATOM 1490 CB ALA A 99 -3.893 -8.014 4.692 1.00 0.39 C ATOM 0 H ALA A 99 -1.994 -9.309 5.591 1.00 0.31 H new ATOM 0 HA ALA A 99 -4.189 -9.950 3.849 1.00 0.35 H new ATOM 0 HB1 ALA A 99 -4.637 -7.539 4.053 1.00 0.39 H new ATOM 0 HB2 ALA A 99 -4.353 -8.288 5.642 1.00 0.39 H new ATOM 0 HB3 ALA A 99 -3.073 -7.319 4.873 1.00 0.39 H new ATOM 1496 N ILE A 100 -1.504 -8.457 2.664 1.00 0.28 N ATOM 1497 CA ILE A 100 -0.772 -8.145 1.448 1.00 0.29 C ATOM 1498 C ILE A 100 -0.588 -9.407 0.621 1.00 0.29 C ATOM 1499 O ILE A 100 -0.861 -9.437 -0.578 1.00 0.34 O ATOM 1500 CB ILE A 100 0.616 -7.580 1.803 1.00 0.32 C ATOM 1501 CG1 ILE A 100 0.485 -6.202 2.462 1.00 0.35 C ATOM 1502 CG2 ILE A 100 1.490 -7.525 0.565 1.00 0.36 C ATOM 1503 CD1 ILE A 100 1.772 -5.689 3.071 1.00 0.41 C ATOM 0 H ILE A 100 -0.976 -8.293 3.521 1.00 0.28 H new ATOM 0 HA ILE A 100 -1.337 -7.407 0.878 1.00 0.29 H new ATOM 0 HB ILE A 100 1.095 -8.243 2.523 1.00 0.32 H new ATOM 0 HG12 ILE A 100 0.136 -5.486 1.718 1.00 0.35 H new ATOM 0 HG13 ILE A 100 -0.278 -6.253 3.239 1.00 0.35 H new ATOM 0 HG21 ILE A 100 2.469 -7.124 0.828 1.00 0.36 H new ATOM 0 HG22 ILE A 100 1.607 -8.529 0.157 1.00 0.36 H new ATOM 0 HG23 ILE A 100 1.023 -6.882 -0.182 1.00 0.36 H new ATOM 0 HD11 ILE A 100 1.598 -4.710 3.517 1.00 0.41 H new ATOM 0 HD12 ILE A 100 2.113 -6.383 3.840 1.00 0.41 H new ATOM 0 HD13 ILE A 100 2.533 -5.604 2.295 1.00 0.41 H new ATOM 1515 N ASN A 101 -0.126 -10.443 1.298 1.00 0.29 N ATOM 1516 CA ASN A 101 0.088 -11.753 0.710 1.00 0.34 C ATOM 1517 C ASN A 101 -1.183 -12.267 0.062 1.00 0.36 C ATOM 1518 O ASN A 101 -1.137 -12.946 -0.962 1.00 0.43 O ATOM 1519 CB ASN A 101 0.577 -12.720 1.796 1.00 0.44 C ATOM 1520 CG ASN A 101 2.064 -12.619 2.028 1.00 0.53 C ATOM 1521 OD1 ASN A 101 2.819 -12.199 1.150 1.00 0.67 O ATOM 1522 ND2 ASN A 101 2.505 -13.036 3.198 1.00 0.64 N ATOM 0 H ASN A 101 0.115 -10.397 2.288 1.00 0.29 H new ATOM 0 HA ASN A 101 0.846 -11.677 -0.069 1.00 0.34 H new ATOM 0 HB2 ASN A 101 0.052 -12.511 2.728 1.00 0.44 H new ATOM 0 HB3 ASN A 101 0.325 -13.741 1.510 1.00 0.44 H new ATOM 0 HD21 ASN A 101 3.504 -13.018 3.402 1.00 0.64 H new ATOM 0 HD22 ASN A 101 1.847 -13.377 3.899 1.00 0.64 H new ATOM 1529 N HIS A 102 -2.313 -11.910 0.652 1.00 0.35 N ATOM 1530 CA HIS A 102 -3.614 -12.266 0.117 1.00 0.43 C ATOM 1531 C HIS A 102 -3.863 -11.540 -1.200 1.00 0.37 C ATOM 1532 O HIS A 102 -4.332 -12.130 -2.175 1.00 0.41 O ATOM 1533 CB HIS A 102 -4.699 -11.910 1.138 1.00 0.61 C ATOM 1534 CG HIS A 102 -5.965 -12.660 0.919 1.00 1.18 C ATOM 1535 ND1 HIS A 102 -6.665 -12.877 -0.206 1.00 2.07 N flip ATOM 1536 CD2 HIS A 102 -6.629 -13.324 1.920 1.00 1.10 C flip ATOM 1537 CE1 HIS A 102 -7.736 -13.671 0.118 1.00 2.50 C flip ATOM 1538 NE2 HIS A 102 -7.686 -13.924 1.416 1.00 1.91 N flip ATOM 0 H HIS A 102 -2.352 -11.366 1.514 1.00 0.35 H new ATOM 0 HA HIS A 102 -3.642 -13.338 -0.076 1.00 0.43 H new ATOM 0 HB2 HIS A 102 -4.329 -12.117 2.142 1.00 0.61 H new ATOM 0 HB3 HIS A 102 -4.902 -10.840 1.087 1.00 0.61 H new ATOM 0 HD1 HIS A 102 -6.441 -12.517 -1.134 1.00 2.07 H new ATOM 0 HD2 HIS A 102 -6.331 -13.350 2.958 1.00 1.10 H new ATOM 0 HE1 HIS A 102 -8.490 -14.028 -0.568 1.00 2.50 H new ATOM 1547 N ALA A 103 -3.527 -10.262 -1.229 1.00 0.37 N ATOM 1548 CA ALA A 103 -3.770 -9.446 -2.403 1.00 0.41 C ATOM 1549 C ALA A 103 -2.791 -9.774 -3.527 1.00 0.40 C ATOM 1550 O ALA A 103 -3.189 -9.905 -4.683 1.00 0.44 O ATOM 1551 CB ALA A 103 -3.698 -7.968 -2.051 1.00 0.47 C ATOM 0 H ALA A 103 -3.086 -9.768 -0.453 1.00 0.37 H new ATOM 0 HA ALA A 103 -4.774 -9.674 -2.760 1.00 0.41 H new ATOM 0 HB1 ALA A 103 -3.883 -7.372 -2.945 1.00 0.47 H new ATOM 0 HB2 ALA A 103 -4.451 -7.736 -1.298 1.00 0.47 H new ATOM 0 HB3 ALA A 103 -2.708 -7.735 -1.658 1.00 0.47 H new ATOM 1557 N LYS A 104 -1.505 -9.913 -3.197 1.00 0.41 N ATOM 1558 CA LYS A 104 -0.495 -10.210 -4.206 1.00 0.49 C ATOM 1559 C LYS A 104 -0.727 -11.588 -4.782 1.00 0.54 C ATOM 1560 O LYS A 104 -0.445 -11.844 -5.952 1.00 0.66 O ATOM 1561 CB LYS A 104 0.904 -10.140 -3.610 1.00 0.61 C ATOM 1562 CG LYS A 104 1.164 -8.878 -2.820 1.00 0.70 C ATOM 1563 CD LYS A 104 0.861 -7.614 -3.622 1.00 0.84 C ATOM 1564 CE LYS A 104 1.593 -7.575 -4.960 1.00 0.99 C ATOM 1565 NZ LYS A 104 3.071 -7.559 -4.806 1.00 1.66 N ATOM 0 H LYS A 104 -1.144 -9.825 -2.247 1.00 0.41 H new ATOM 0 HA LYS A 104 -0.577 -9.464 -4.997 1.00 0.49 H new ATOM 0 HB2 LYS A 104 1.057 -11.002 -2.961 1.00 0.61 H new ATOM 0 HB3 LYS A 104 1.636 -10.212 -4.414 1.00 0.61 H new ATOM 0 HG2 LYS A 104 0.554 -8.886 -1.917 1.00 0.70 H new ATOM 0 HG3 LYS A 104 2.206 -8.861 -2.501 1.00 0.70 H new ATOM 0 HD2 LYS A 104 -0.213 -7.549 -3.798 1.00 0.84 H new ATOM 0 HD3 LYS A 104 1.141 -6.740 -3.034 1.00 0.84 H new ATOM 0 HE2 LYS A 104 1.303 -8.442 -5.553 1.00 0.99 H new ATOM 0 HE3 LYS A 104 1.280 -6.690 -5.515 1.00 0.99 H new ATOM 0 HZ1 LYS A 104 3.518 -7.737 -5.728 1.00 1.66 H new ATOM 0 HZ2 LYS A 104 3.373 -6.630 -4.448 1.00 1.66 H new ATOM 0 HZ3 LYS A 104 3.358 -8.299 -4.134 1.00 1.66 H new ATOM 1579 N ALA A 105 -1.230 -12.469 -3.934 1.00 0.51 N ATOM 1580 CA ALA A 105 -1.660 -13.799 -4.372 1.00 0.61 C ATOM 1581 C ALA A 105 -2.667 -13.695 -5.515 1.00 0.62 C ATOM 1582 O ALA A 105 -2.611 -14.459 -6.482 1.00 0.77 O ATOM 1583 CB ALA A 105 -2.272 -14.578 -3.217 1.00 0.65 C ATOM 0 H ALA A 105 -1.353 -12.293 -2.937 1.00 0.51 H new ATOM 0 HA ALA A 105 -0.778 -14.332 -4.727 1.00 0.61 H new ATOM 0 HB1 ALA A 105 -2.584 -15.562 -3.567 1.00 0.65 H new ATOM 0 HB2 ALA A 105 -1.534 -14.692 -2.423 1.00 0.65 H new ATOM 0 HB3 ALA A 105 -3.138 -14.039 -2.833 1.00 0.65 H new ATOM 1589 N ALA A 106 -3.590 -12.750 -5.396 1.00 0.54 N ATOM 1590 CA ALA A 106 -4.594 -12.524 -6.432 1.00 0.64 C ATOM 1591 C ALA A 106 -4.017 -11.728 -7.599 1.00 0.64 C ATOM 1592 O ALA A 106 -4.434 -11.910 -8.742 1.00 0.74 O ATOM 1593 CB ALA A 106 -5.805 -11.811 -5.861 1.00 0.68 C ATOM 0 H ALA A 106 -3.666 -12.126 -4.593 1.00 0.54 H new ATOM 0 HA ALA A 106 -4.906 -13.499 -6.806 1.00 0.64 H new ATOM 0 HB1 ALA A 106 -6.540 -11.653 -6.650 1.00 0.68 H new ATOM 0 HB2 ALA A 106 -6.246 -12.419 -5.071 1.00 0.68 H new ATOM 0 HB3 ALA A 106 -5.500 -10.848 -5.451 1.00 0.68 H new ATOM 1599 N ASN A 107 -3.073 -10.841 -7.272 1.00 0.59 N ATOM 1600 CA ASN A 107 -2.335 -10.031 -8.247 1.00 0.65 C ATOM 1601 C ASN A 107 -3.150 -8.797 -8.584 1.00 0.60 C ATOM 1602 O ASN A 107 -3.343 -8.432 -9.745 1.00 0.85 O ATOM 1603 CB ASN A 107 -1.963 -10.812 -9.504 1.00 0.85 C ATOM 1604 CG ASN A 107 -1.002 -10.071 -10.399 1.00 1.04 C ATOM 1605 OD1 ASN A 107 -0.198 -9.255 -9.941 1.00 1.17 O ATOM 1606 ND2 ASN A 107 -1.058 -10.368 -11.680 1.00 1.41 N ATOM 0 H ASN A 107 -2.795 -10.662 -6.307 1.00 0.59 H new ATOM 0 HA ASN A 107 -1.389 -9.734 -7.794 1.00 0.65 H new ATOM 0 HB2 ASN A 107 -1.519 -11.765 -9.214 1.00 0.85 H new ATOM 0 HB3 ASN A 107 -2.870 -11.040 -10.064 1.00 0.85 H new ATOM 0 HD21 ASN A 107 -0.421 -9.917 -12.336 1.00 1.41 H new ATOM 0 HD22 ASN A 107 -1.739 -11.049 -12.016 1.00 1.41 H new ATOM 1613 N VAL A 108 -3.641 -8.178 -7.531 1.00 0.44 N ATOM 1614 CA VAL A 108 -4.470 -7.001 -7.634 1.00 0.42 C ATOM 1615 C VAL A 108 -3.681 -5.760 -7.217 1.00 0.37 C ATOM 1616 O VAL A 108 -2.877 -5.816 -6.282 1.00 0.38 O ATOM 1617 CB VAL A 108 -5.730 -7.155 -6.748 1.00 0.49 C ATOM 1618 CG1 VAL A 108 -5.430 -7.964 -5.497 1.00 1.06 C ATOM 1619 CG2 VAL A 108 -6.263 -5.802 -6.354 1.00 1.35 C ATOM 0 H VAL A 108 -3.473 -8.482 -6.572 1.00 0.44 H new ATOM 0 HA VAL A 108 -4.783 -6.884 -8.672 1.00 0.42 H new ATOM 0 HB VAL A 108 -6.481 -7.686 -7.333 1.00 0.49 H new ATOM 0 HG11 VAL A 108 -6.335 -8.054 -4.896 1.00 1.06 H new ATOM 0 HG12 VAL A 108 -5.083 -8.957 -5.781 1.00 1.06 H new ATOM 0 HG13 VAL A 108 -4.657 -7.462 -4.916 1.00 1.06 H new ATOM 0 HG21 VAL A 108 -7.149 -5.927 -5.731 1.00 1.35 H new ATOM 0 HG22 VAL A 108 -5.501 -5.259 -5.795 1.00 1.35 H new ATOM 0 HG23 VAL A 108 -6.526 -5.239 -7.250 1.00 1.35 H new ATOM 1629 N PRO A 109 -3.878 -4.634 -7.925 1.00 0.35 N ATOM 1630 CA PRO A 109 -3.279 -3.354 -7.553 1.00 0.33 C ATOM 1631 C PRO A 109 -3.757 -2.877 -6.190 1.00 0.28 C ATOM 1632 O PRO A 109 -4.927 -3.045 -5.835 1.00 0.29 O ATOM 1633 CB PRO A 109 -3.748 -2.389 -8.641 1.00 0.37 C ATOM 1634 CG PRO A 109 -4.173 -3.258 -9.775 1.00 0.47 C ATOM 1635 CD PRO A 109 -4.684 -4.523 -9.153 1.00 0.40 C ATOM 0 HA PRO A 109 -2.194 -3.427 -7.479 1.00 0.33 H new ATOM 0 HB2 PRO A 109 -4.573 -1.769 -8.289 1.00 0.37 H new ATOM 0 HB3 PRO A 109 -2.947 -1.714 -8.941 1.00 0.37 H new ATOM 0 HG2 PRO A 109 -4.948 -2.774 -10.369 1.00 0.47 H new ATOM 0 HG3 PRO A 109 -3.338 -3.462 -10.445 1.00 0.47 H new ATOM 0 HD2 PRO A 109 -5.750 -4.463 -8.933 1.00 0.40 H new ATOM 0 HD3 PRO A 109 -4.542 -5.382 -9.809 1.00 0.40 H new ATOM 1643 N ILE A 110 -2.869 -2.267 -5.430 1.00 0.25 N ATOM 1644 CA ILE A 110 -3.185 -1.915 -4.066 1.00 0.21 C ATOM 1645 C ILE A 110 -3.429 -0.414 -3.938 1.00 0.19 C ATOM 1646 O ILE A 110 -2.993 0.388 -4.768 1.00 0.23 O ATOM 1647 CB ILE A 110 -2.049 -2.375 -3.112 1.00 0.23 C ATOM 1648 CG1 ILE A 110 -1.931 -3.909 -3.106 1.00 0.38 C ATOM 1649 CG2 ILE A 110 -2.239 -1.857 -1.698 1.00 0.21 C ATOM 1650 CD1 ILE A 110 -3.070 -4.610 -2.396 1.00 0.60 C ATOM 0 H ILE A 110 -1.930 -2.008 -5.734 1.00 0.25 H new ATOM 0 HA ILE A 110 -4.102 -2.430 -3.780 1.00 0.21 H new ATOM 0 HB ILE A 110 -1.122 -1.948 -3.494 1.00 0.23 H new ATOM 0 HG12 ILE A 110 -1.885 -4.264 -4.136 1.00 0.38 H new ATOM 0 HG13 ILE A 110 -0.992 -4.189 -2.630 1.00 0.38 H new ATOM 0 HG21 ILE A 110 -1.419 -2.206 -1.070 1.00 0.21 H new ATOM 0 HG22 ILE A 110 -2.250 -0.767 -1.708 1.00 0.21 H new ATOM 0 HG23 ILE A 110 -3.184 -2.226 -1.299 1.00 0.21 H new ATOM 0 HD11 ILE A 110 -2.914 -5.688 -2.435 1.00 0.60 H new ATOM 0 HD12 ILE A 110 -3.105 -4.286 -1.356 1.00 0.60 H new ATOM 0 HD13 ILE A 110 -4.012 -4.361 -2.885 1.00 0.60 H new ATOM 1662 N ILE A 111 -4.162 -0.066 -2.905 1.00 0.18 N ATOM 1663 CA ILE A 111 -4.376 1.306 -2.495 1.00 0.18 C ATOM 1664 C ILE A 111 -3.959 1.407 -1.045 1.00 0.16 C ATOM 1665 O ILE A 111 -4.755 1.197 -0.132 1.00 0.18 O ATOM 1666 CB ILE A 111 -5.854 1.759 -2.652 1.00 0.25 C ATOM 1667 CG1 ILE A 111 -6.208 1.917 -4.127 1.00 0.32 C ATOM 1668 CG2 ILE A 111 -6.104 3.076 -1.912 1.00 0.27 C ATOM 1669 CD1 ILE A 111 -5.592 3.144 -4.756 1.00 0.37 C ATOM 0 H ILE A 111 -4.638 -0.745 -2.311 1.00 0.18 H new ATOM 0 HA ILE A 111 -3.788 1.963 -3.136 1.00 0.18 H new ATOM 0 HB ILE A 111 -6.490 0.990 -2.214 1.00 0.25 H new ATOM 0 HG12 ILE A 111 -5.877 1.032 -4.671 1.00 0.32 H new ATOM 0 HG13 ILE A 111 -7.292 1.968 -4.231 1.00 0.32 H new ATOM 0 HG21 ILE A 111 -7.146 3.372 -2.037 1.00 0.27 H new ATOM 0 HG22 ILE A 111 -5.889 2.944 -0.852 1.00 0.27 H new ATOM 0 HG23 ILE A 111 -5.455 3.851 -2.320 1.00 0.27 H new ATOM 0 HD11 ILE A 111 -5.882 3.199 -5.805 1.00 0.37 H new ATOM 0 HD12 ILE A 111 -5.943 4.035 -4.235 1.00 0.37 H new ATOM 0 HD13 ILE A 111 -4.506 3.085 -4.682 1.00 0.37 H new ATOM 1681 N VAL A 112 -2.687 1.637 -0.833 1.00 0.16 N ATOM 1682 CA VAL A 112 -2.187 1.751 0.501 1.00 0.18 C ATOM 1683 C VAL A 112 -2.578 3.075 1.082 1.00 0.20 C ATOM 1684 O VAL A 112 -2.653 4.088 0.391 1.00 0.22 O ATOM 1685 CB VAL A 112 -0.669 1.612 0.580 1.00 0.19 C ATOM 1686 CG1 VAL A 112 -0.200 1.714 2.001 1.00 0.26 C ATOM 1687 CG2 VAL A 112 -0.234 0.297 -0.003 1.00 0.19 C ATOM 0 H VAL A 112 -1.988 1.747 -1.567 1.00 0.16 H new ATOM 0 HA VAL A 112 -2.628 0.931 1.068 1.00 0.18 H new ATOM 0 HB VAL A 112 -0.224 2.424 0.004 1.00 0.19 H new ATOM 0 HG11 VAL A 112 0.885 1.612 2.034 1.00 0.26 H new ATOM 0 HG12 VAL A 112 -0.486 2.683 2.410 1.00 0.26 H new ATOM 0 HG13 VAL A 112 -0.657 0.921 2.593 1.00 0.26 H new ATOM 0 HG21 VAL A 112 0.851 0.212 0.060 1.00 0.19 H new ATOM 0 HG22 VAL A 112 -0.695 -0.518 0.554 1.00 0.19 H new ATOM 0 HG23 VAL A 112 -0.542 0.242 -1.047 1.00 0.19 H new ATOM 1697 N ALA A 113 -2.819 3.043 2.348 1.00 0.21 N ATOM 1698 CA ALA A 113 -3.194 4.218 3.071 1.00 0.24 C ATOM 1699 C ALA A 113 -2.593 4.184 4.456 1.00 0.25 C ATOM 1700 O ALA A 113 -3.047 3.464 5.340 1.00 0.28 O ATOM 1701 CB ALA A 113 -4.700 4.354 3.096 1.00 0.29 C ATOM 0 H ALA A 113 -2.762 2.198 2.917 1.00 0.21 H new ATOM 0 HA ALA A 113 -2.801 5.102 2.569 1.00 0.24 H new ATOM 0 HB1 ALA A 113 -4.975 5.252 3.649 1.00 0.29 H new ATOM 0 HB2 ALA A 113 -5.076 4.427 2.075 1.00 0.29 H new ATOM 0 HB3 ALA A 113 -5.136 3.481 3.582 1.00 0.29 H new ATOM 1707 N ILE A 114 -1.534 4.947 4.601 1.00 0.24 N ATOM 1708 CA ILE A 114 -0.808 5.053 5.839 1.00 0.27 C ATOM 1709 C ILE A 114 -1.626 5.844 6.844 1.00 0.30 C ATOM 1710 O ILE A 114 -2.279 6.803 6.483 1.00 0.50 O ATOM 1711 CB ILE A 114 0.555 5.741 5.601 1.00 0.33 C ATOM 1712 CG1 ILE A 114 1.514 4.811 4.850 1.00 0.38 C ATOM 1713 CG2 ILE A 114 1.172 6.194 6.904 1.00 0.44 C ATOM 1714 CD1 ILE A 114 1.320 4.796 3.347 1.00 0.59 C ATOM 0 H ILE A 114 -1.150 5.519 3.849 1.00 0.24 H new ATOM 0 HA ILE A 114 -0.627 4.053 6.234 1.00 0.27 H new ATOM 0 HB ILE A 114 0.377 6.622 4.985 1.00 0.33 H new ATOM 0 HG12 ILE A 114 2.539 5.111 5.069 1.00 0.38 H new ATOM 0 HG13 ILE A 114 1.391 3.797 5.231 1.00 0.38 H new ATOM 0 HG21 ILE A 114 2.130 6.674 6.705 1.00 0.44 H new ATOM 0 HG22 ILE A 114 0.505 6.903 7.395 1.00 0.44 H new ATOM 0 HG23 ILE A 114 1.326 5.332 7.553 1.00 0.44 H new ATOM 0 HD11 ILE A 114 2.038 4.113 2.894 1.00 0.59 H new ATOM 0 HD12 ILE A 114 0.308 4.465 3.114 1.00 0.59 H new ATOM 0 HD13 ILE A 114 1.474 5.800 2.950 1.00 0.59 H new ATOM 1726 N ASN A 115 -1.603 5.431 8.094 1.00 0.19 N ATOM 1727 CA ASN A 115 -2.319 6.142 9.141 1.00 0.22 C ATOM 1728 C ASN A 115 -1.310 6.635 10.127 1.00 0.20 C ATOM 1729 O ASN A 115 -0.109 6.382 9.961 1.00 0.22 O ATOM 1730 CB ASN A 115 -3.376 5.225 9.782 1.00 0.33 C ATOM 1731 CG ASN A 115 -2.883 4.375 10.940 1.00 0.84 C ATOM 1732 OD1 ASN A 115 -1.719 4.060 11.052 1.00 1.85 O ATOM 1733 ND2 ASN A 115 -3.797 3.987 11.808 1.00 0.56 N ATOM 0 H ASN A 115 -1.096 4.605 8.414 1.00 0.19 H new ATOM 0 HA ASN A 115 -2.863 6.996 8.738 1.00 0.22 H new ATOM 0 HB2 ASN A 115 -4.203 5.842 10.132 1.00 0.33 H new ATOM 0 HB3 ASN A 115 -3.775 4.564 9.012 1.00 0.33 H new ATOM 0 HD21 ASN A 115 -3.531 3.404 12.602 1.00 0.56 H new ATOM 0 HD22 ASN A 115 -4.769 4.270 11.685 1.00 0.56 H new ATOM 1740 N LYS A 116 -1.775 7.365 11.115 1.00 0.19 N ATOM 1741 CA LYS A 116 -0.903 7.865 12.137 1.00 0.20 C ATOM 1742 C LYS A 116 0.032 8.945 11.600 1.00 0.21 C ATOM 1743 O LYS A 116 1.175 9.067 12.034 1.00 0.26 O ATOM 1744 CB LYS A 116 -0.141 6.693 12.746 1.00 0.25 C ATOM 1745 CG LYS A 116 -0.984 5.881 13.702 1.00 0.32 C ATOM 1746 CD LYS A 116 -0.140 4.894 14.473 1.00 0.40 C ATOM 1747 CE LYS A 116 -0.978 3.902 15.256 1.00 0.51 C ATOM 1748 NZ LYS A 116 -0.119 3.019 16.082 1.00 0.59 N ATOM 0 H LYS A 116 -2.756 7.623 11.227 1.00 0.19 H new ATOM 0 HA LYS A 116 -1.494 8.345 12.917 1.00 0.20 H new ATOM 0 HB2 LYS A 116 0.220 6.045 11.947 1.00 0.25 H new ATOM 0 HB3 LYS A 116 0.736 7.070 13.272 1.00 0.25 H new ATOM 0 HG2 LYS A 116 -1.494 6.548 14.397 1.00 0.32 H new ATOM 0 HG3 LYS A 116 -1.756 5.348 13.147 1.00 0.32 H new ATOM 0 HD2 LYS A 116 0.505 4.353 13.780 1.00 0.40 H new ATOM 0 HD3 LYS A 116 0.512 5.436 15.159 1.00 0.40 H new ATOM 0 HE2 LYS A 116 -1.678 4.438 15.897 1.00 0.51 H new ATOM 0 HE3 LYS A 116 -1.572 3.299 14.569 1.00 0.51 H new ATOM 0 HZ1 LYS A 116 -0.490 2.048 16.053 1.00 0.59 H new ATOM 0 HZ2 LYS A 116 0.851 3.030 15.708 1.00 0.59 H new ATOM 0 HZ3 LYS A 116 -0.115 3.359 17.065 1.00 0.59 H new ATOM 1762 N MET A 117 -0.478 9.735 10.654 1.00 0.21 N ATOM 1763 CA MET A 117 0.212 10.941 10.204 1.00 0.28 C ATOM 1764 C MET A 117 -0.001 12.028 11.234 1.00 0.29 C ATOM 1765 O MET A 117 0.653 13.069 11.226 1.00 0.37 O ATOM 1766 CB MET A 117 -0.312 11.400 8.850 1.00 0.38 C ATOM 1767 CG MET A 117 0.249 10.610 7.690 1.00 0.48 C ATOM 1768 SD MET A 117 1.951 11.037 7.321 1.00 0.77 S ATOM 1769 CE MET A 117 2.684 9.421 7.481 1.00 0.92 C ATOM 0 H MET A 117 -1.367 9.560 10.185 1.00 0.21 H new ATOM 0 HA MET A 117 1.275 10.725 10.093 1.00 0.28 H new ATOM 0 HB2 MET A 117 -1.399 11.319 8.843 1.00 0.38 H new ATOM 0 HB3 MET A 117 -0.070 12.454 8.713 1.00 0.38 H new ATOM 0 HG2 MET A 117 0.187 9.546 7.917 1.00 0.48 H new ATOM 0 HG3 MET A 117 -0.365 10.784 6.806 1.00 0.48 H new ATOM 0 HE1 MET A 117 3.770 9.512 7.480 1.00 0.92 H new ATOM 0 HE2 MET A 117 2.359 8.965 8.416 1.00 0.92 H new ATOM 0 HE3 MET A 117 2.372 8.795 6.645 1.00 0.92 H new ATOM 1779 N ASP A 118 -0.950 11.755 12.110 1.00 0.27 N ATOM 1780 CA ASP A 118 -1.212 12.606 13.258 1.00 0.34 C ATOM 1781 C ASP A 118 -0.072 12.478 14.256 1.00 0.33 C ATOM 1782 O ASP A 118 0.206 13.392 15.032 1.00 0.47 O ATOM 1783 CB ASP A 118 -2.529 12.205 13.922 1.00 0.39 C ATOM 1784 CG ASP A 118 -2.553 10.744 14.328 1.00 0.55 C ATOM 1785 OD1 ASP A 118 -2.707 9.879 13.434 1.00 0.67 O ATOM 1786 OD2 ASP A 118 -2.437 10.456 15.537 1.00 0.76 O ATOM 0 H ASP A 118 -1.560 10.940 12.047 1.00 0.27 H new ATOM 0 HA ASP A 118 -1.288 13.641 12.924 1.00 0.34 H new ATOM 0 HB2 ASP A 118 -2.692 12.826 14.803 1.00 0.39 H new ATOM 0 HB3 ASP A 118 -3.353 12.402 13.236 1.00 0.39 H new ATOM 1791 N LYS A 119 0.595 11.334 14.212 1.00 0.23 N ATOM 1792 CA LYS A 119 1.695 11.056 15.109 1.00 0.26 C ATOM 1793 C LYS A 119 3.004 11.543 14.504 1.00 0.28 C ATOM 1794 O LYS A 119 3.249 11.370 13.314 1.00 0.26 O ATOM 1795 CB LYS A 119 1.791 9.553 15.388 1.00 0.29 C ATOM 1796 CG LYS A 119 0.576 8.978 16.097 1.00 0.36 C ATOM 1797 CD LYS A 119 0.860 7.590 16.657 1.00 0.72 C ATOM 1798 CE LYS A 119 1.909 7.644 17.764 1.00 0.87 C ATOM 1799 NZ LYS A 119 2.259 6.294 18.283 1.00 1.17 N ATOM 0 H LYS A 119 0.387 10.580 13.557 1.00 0.23 H new ATOM 0 HA LYS A 119 1.513 11.582 16.046 1.00 0.26 H new ATOM 0 HB2 LYS A 119 1.931 9.027 14.444 1.00 0.29 H new ATOM 0 HB3 LYS A 119 2.677 9.362 15.994 1.00 0.29 H new ATOM 0 HG2 LYS A 119 0.277 9.644 16.907 1.00 0.36 H new ATOM 0 HG3 LYS A 119 -0.262 8.926 15.401 1.00 0.36 H new ATOM 0 HD2 LYS A 119 -0.061 7.157 17.047 1.00 0.72 H new ATOM 0 HD3 LYS A 119 1.206 6.936 15.856 1.00 0.72 H new ATOM 0 HE2 LYS A 119 2.809 8.128 17.384 1.00 0.87 H new ATOM 0 HE3 LYS A 119 1.537 8.260 18.583 1.00 0.87 H new ATOM 0 HZ1 LYS A 119 2.708 6.387 19.216 1.00 1.17 H new ATOM 0 HZ2 LYS A 119 1.396 5.721 18.370 1.00 1.17 H new ATOM 0 HZ3 LYS A 119 2.918 5.830 17.626 1.00 1.17 H new ATOM 1813 N PRO A 120 3.863 12.167 15.326 1.00 0.38 N ATOM 1814 CA PRO A 120 5.195 12.612 14.897 1.00 0.45 C ATOM 1815 C PRO A 120 6.094 11.434 14.541 1.00 0.40 C ATOM 1816 O PRO A 120 7.150 11.594 13.931 1.00 0.45 O ATOM 1817 CB PRO A 120 5.749 13.344 16.120 1.00 0.57 C ATOM 1818 CG PRO A 120 4.954 12.841 17.273 1.00 0.58 C ATOM 1819 CD PRO A 120 3.595 12.508 16.732 1.00 0.48 C ATOM 0 HA PRO A 120 5.148 13.234 14.003 1.00 0.45 H new ATOM 0 HB2 PRO A 120 6.811 13.137 16.254 1.00 0.57 H new ATOM 0 HB3 PRO A 120 5.646 14.424 16.012 1.00 0.57 H new ATOM 0 HG2 PRO A 120 5.423 11.962 17.715 1.00 0.58 H new ATOM 0 HG3 PRO A 120 4.887 13.595 18.058 1.00 0.58 H new ATOM 0 HD2 PRO A 120 3.142 11.674 17.269 1.00 0.48 H new ATOM 0 HD3 PRO A 120 2.910 13.352 16.818 1.00 0.48 H new ATOM 1827 N GLU A 121 5.655 10.249 14.941 1.00 0.35 N ATOM 1828 CA GLU A 121 6.355 9.011 14.642 1.00 0.37 C ATOM 1829 C GLU A 121 6.016 8.531 13.234 1.00 0.30 C ATOM 1830 O GLU A 121 6.397 7.429 12.831 1.00 0.37 O ATOM 1831 CB GLU A 121 5.980 7.946 15.673 1.00 0.48 C ATOM 1832 CG GLU A 121 6.198 8.407 17.102 1.00 0.62 C ATOM 1833 CD GLU A 121 5.957 7.316 18.124 1.00 1.04 C ATOM 1834 OE1 GLU A 121 6.802 6.404 18.237 1.00 1.40 O ATOM 1835 OE2 GLU A 121 4.931 7.376 18.837 1.00 1.45 O ATOM 0 H GLU A 121 4.801 10.120 15.483 1.00 0.35 H new ATOM 0 HA GLU A 121 7.429 9.191 14.690 1.00 0.37 H new ATOM 0 HB2 GLU A 121 4.933 7.671 15.541 1.00 0.48 H new ATOM 0 HB3 GLU A 121 6.571 7.048 15.492 1.00 0.48 H new ATOM 0 HG2 GLU A 121 7.219 8.775 17.207 1.00 0.62 H new ATOM 0 HG3 GLU A 121 5.534 9.246 17.312 1.00 0.62 H new ATOM 1842 N ALA A 122 5.286 9.364 12.506 1.00 0.24 N ATOM 1843 CA ALA A 122 4.945 9.102 11.113 1.00 0.22 C ATOM 1844 C ALA A 122 6.201 8.924 10.268 1.00 0.21 C ATOM 1845 O ALA A 122 6.928 9.881 10.001 1.00 0.26 O ATOM 1846 CB ALA A 122 4.094 10.241 10.570 1.00 0.27 C ATOM 0 H ALA A 122 4.912 10.243 12.864 1.00 0.24 H new ATOM 0 HA ALA A 122 4.375 8.174 11.062 1.00 0.22 H new ATOM 0 HB1 ALA A 122 3.841 10.042 9.529 1.00 0.27 H new ATOM 0 HB2 ALA A 122 3.179 10.323 11.156 1.00 0.27 H new ATOM 0 HB3 ALA A 122 4.652 11.175 10.636 1.00 0.27 H new ATOM 1852 N ASN A 123 6.457 7.689 9.868 1.00 0.21 N ATOM 1853 CA ASN A 123 7.560 7.390 8.969 1.00 0.23 C ATOM 1854 C ASN A 123 7.000 6.736 7.723 1.00 0.23 C ATOM 1855 O ASN A 123 7.101 5.524 7.537 1.00 0.25 O ATOM 1856 CB ASN A 123 8.573 6.451 9.621 1.00 0.26 C ATOM 1857 CG ASN A 123 9.972 6.673 9.148 1.00 0.42 C ATOM 1858 OD1 ASN A 123 10.105 7.138 7.941 1.00 0.95 O flip ATOM 1859 ND2 ASN A 123 10.935 6.432 9.874 1.00 0.52 N flip ATOM 0 H ASN A 123 5.913 6.874 10.153 1.00 0.21 H new ATOM 0 HA ASN A 123 8.074 8.319 8.723 1.00 0.23 H new ATOM 0 HB2 ASN A 123 8.537 6.583 10.702 1.00 0.26 H new ATOM 0 HB3 ASN A 123 8.287 5.419 9.416 1.00 0.26 H new ATOM 0 HD21 ASN A 123 10.786 6.068 10.815 1.00 0.52 H new ATOM 0 HD22 ASN A 123 11.883 6.596 9.535 1.00 0.52 H new ATOM 1866 N PRO A 124 6.410 7.541 6.850 1.00 0.25 N ATOM 1867 CA PRO A 124 5.686 7.046 5.685 1.00 0.32 C ATOM 1868 C PRO A 124 6.579 6.371 4.676 1.00 0.33 C ATOM 1869 O PRO A 124 6.349 5.223 4.307 1.00 0.35 O ATOM 1870 CB PRO A 124 5.077 8.303 5.103 1.00 0.40 C ATOM 1871 CG PRO A 124 5.948 9.413 5.563 1.00 0.32 C ATOM 1872 CD PRO A 124 6.392 9.012 6.935 1.00 0.27 C ATOM 0 HA PRO A 124 4.959 6.281 5.955 1.00 0.32 H new ATOM 0 HB2 PRO A 124 5.043 8.255 4.015 1.00 0.40 H new ATOM 0 HB3 PRO A 124 4.052 8.439 5.448 1.00 0.40 H new ATOM 0 HG2 PRO A 124 6.800 9.549 4.896 1.00 0.32 H new ATOM 0 HG3 PRO A 124 5.405 10.358 5.584 1.00 0.32 H new ATOM 0 HD2 PRO A 124 7.375 9.416 7.177 1.00 0.27 H new ATOM 0 HD3 PRO A 124 5.704 9.365 7.703 1.00 0.27 H new ATOM 1880 N ASP A 125 7.597 7.091 4.249 1.00 0.37 N ATOM 1881 CA ASP A 125 8.588 6.558 3.318 1.00 0.44 C ATOM 1882 C ASP A 125 9.150 5.239 3.825 1.00 0.34 C ATOM 1883 O ASP A 125 9.561 4.391 3.035 1.00 0.33 O ATOM 1884 CB ASP A 125 9.725 7.551 3.108 1.00 0.61 C ATOM 1885 CG ASP A 125 9.287 8.783 2.346 1.00 0.99 C ATOM 1886 OD1 ASP A 125 8.600 9.646 2.936 1.00 1.44 O ATOM 1887 OD2 ASP A 125 9.625 8.894 1.149 1.00 1.13 O ATOM 0 H ASP A 125 7.766 8.056 4.532 1.00 0.37 H new ATOM 0 HA ASP A 125 8.088 6.387 2.365 1.00 0.44 H new ATOM 0 HB2 ASP A 125 10.125 7.850 4.077 1.00 0.61 H new ATOM 0 HB3 ASP A 125 10.535 7.062 2.566 1.00 0.61 H new ATOM 1892 N ARG A 126 9.129 5.049 5.140 1.00 0.31 N ATOM 1893 CA ARG A 126 9.650 3.816 5.706 1.00 0.31 C ATOM 1894 C ARG A 126 8.619 2.724 5.563 1.00 0.27 C ATOM 1895 O ARG A 126 8.876 1.686 4.966 1.00 0.30 O ATOM 1896 CB ARG A 126 10.008 3.943 7.186 1.00 0.35 C ATOM 1897 CG ARG A 126 10.494 2.619 7.766 1.00 0.51 C ATOM 1898 CD ARG A 126 10.590 2.634 9.278 1.00 1.24 C ATOM 1899 NE ARG A 126 10.661 1.272 9.818 1.00 1.92 N ATOM 1900 CZ ARG A 126 10.885 0.978 11.100 1.00 2.94 C ATOM 1901 NH1 ARG A 126 11.154 1.938 11.975 1.00 3.49 N ATOM 1902 NH2 ARG A 126 10.861 -0.286 11.508 1.00 3.79 N ATOM 0 H ARG A 126 8.765 5.718 5.819 1.00 0.31 H new ATOM 0 HA ARG A 126 10.563 3.581 5.159 1.00 0.31 H new ATOM 0 HB2 ARG A 126 10.783 4.700 7.309 1.00 0.35 H new ATOM 0 HB3 ARG A 126 9.136 4.286 7.743 1.00 0.35 H new ATOM 0 HG2 ARG A 126 9.816 1.823 7.459 1.00 0.51 H new ATOM 0 HG3 ARG A 126 11.472 2.383 7.348 1.00 0.51 H new ATOM 0 HD2 ARG A 126 11.473 3.196 9.584 1.00 1.24 H new ATOM 0 HD3 ARG A 126 9.724 3.149 9.695 1.00 1.24 H new ATOM 0 HE ARG A 126 10.530 0.496 9.169 1.00 1.92 H new ATOM 0 HH11 ARG A 126 11.191 2.911 11.670 1.00 3.49 H new ATOM 0 HH12 ARG A 126 11.324 1.704 12.953 1.00 3.49 H new ATOM 0 HH21 ARG A 126 10.671 -1.034 10.841 1.00 3.79 H new ATOM 0 HH22 ARG A 126 11.033 -0.509 12.488 1.00 3.79 H new ATOM 1916 N VAL A 127 7.448 2.977 6.111 1.00 0.25 N ATOM 1917 CA VAL A 127 6.382 1.988 6.123 1.00 0.28 C ATOM 1918 C VAL A 127 5.904 1.635 4.706 1.00 0.28 C ATOM 1919 O VAL A 127 5.394 0.541 4.472 1.00 0.33 O ATOM 1920 CB VAL A 127 5.208 2.444 7.018 1.00 0.36 C ATOM 1921 CG1 VAL A 127 5.730 2.776 8.401 1.00 0.59 C ATOM 1922 CG2 VAL A 127 4.453 3.635 6.437 1.00 0.44 C ATOM 0 H VAL A 127 7.207 3.862 6.557 1.00 0.25 H new ATOM 0 HA VAL A 127 6.795 1.076 6.553 1.00 0.28 H new ATOM 0 HB VAL A 127 4.496 1.620 7.073 1.00 0.36 H new ATOM 0 HG11 VAL A 127 4.903 3.098 9.034 1.00 0.59 H new ATOM 0 HG12 VAL A 127 6.197 1.892 8.835 1.00 0.59 H new ATOM 0 HG13 VAL A 127 6.466 3.577 8.330 1.00 0.59 H new ATOM 0 HG21 VAL A 127 3.639 3.912 7.107 1.00 0.44 H new ATOM 0 HG22 VAL A 127 5.134 4.478 6.325 1.00 0.44 H new ATOM 0 HG23 VAL A 127 4.045 3.367 5.463 1.00 0.44 H new ATOM 1932 N MET A 128 6.100 2.550 3.758 1.00 0.27 N ATOM 1933 CA MET A 128 5.787 2.272 2.357 1.00 0.31 C ATOM 1934 C MET A 128 6.967 1.559 1.690 1.00 0.26 C ATOM 1935 O MET A 128 6.821 0.940 0.635 1.00 0.35 O ATOM 1936 CB MET A 128 5.410 3.568 1.610 1.00 0.52 C ATOM 1937 CG MET A 128 6.564 4.518 1.327 1.00 0.81 C ATOM 1938 SD MET A 128 6.012 6.198 0.932 1.00 0.67 S ATOM 1939 CE MET A 128 4.994 5.939 -0.523 1.00 0.46 C ATOM 0 H MET A 128 6.471 3.484 3.932 1.00 0.27 H new ATOM 0 HA MET A 128 4.921 1.611 2.312 1.00 0.31 H new ATOM 0 HB2 MET A 128 4.943 3.298 0.663 1.00 0.52 H new ATOM 0 HB3 MET A 128 4.660 4.099 2.195 1.00 0.52 H new ATOM 0 HG2 MET A 128 7.222 4.552 2.195 1.00 0.81 H new ATOM 0 HG3 MET A 128 7.153 4.129 0.496 1.00 0.81 H new ATOM 0 HE1 MET A 128 4.168 6.650 -0.520 1.00 0.46 H new ATOM 0 HE2 MET A 128 5.596 6.086 -1.419 1.00 0.46 H new ATOM 0 HE3 MET A 128 4.599 4.923 -0.514 1.00 0.46 H new ATOM 1949 N GLN A 129 8.135 1.638 2.321 1.00 0.24 N ATOM 1950 CA GLN A 129 9.286 0.847 1.903 1.00 0.27 C ATOM 1951 C GLN A 129 9.132 -0.598 2.354 1.00 0.30 C ATOM 1952 O GLN A 129 9.451 -1.521 1.613 1.00 0.33 O ATOM 1953 CB GLN A 129 10.587 1.415 2.466 1.00 0.32 C ATOM 1954 CG GLN A 129 11.494 1.998 1.406 1.00 0.42 C ATOM 1955 CD GLN A 129 12.850 2.374 1.961 1.00 0.54 C ATOM 1956 OE1 GLN A 129 13.065 3.498 2.414 1.00 1.17 O ATOM 1957 NE2 GLN A 129 13.777 1.429 1.936 1.00 1.31 N ATOM 0 H GLN A 129 8.309 2.242 3.124 1.00 0.24 H new ATOM 0 HA GLN A 129 9.330 0.887 0.815 1.00 0.27 H new ATOM 0 HB2 GLN A 129 10.351 2.188 3.198 1.00 0.32 H new ATOM 0 HB3 GLN A 129 11.120 0.626 2.996 1.00 0.32 H new ATOM 0 HG2 GLN A 129 11.620 1.275 0.600 1.00 0.42 H new ATOM 0 HG3 GLN A 129 11.023 2.880 0.972 1.00 0.42 H new ATOM 0 HE21 GLN A 129 13.558 0.510 1.552 1.00 1.31 H new ATOM 0 HE22 GLN A 129 14.710 1.620 2.301 1.00 1.31 H new ATOM 1966 N GLU A 130 8.636 -0.784 3.575 1.00 0.37 N ATOM 1967 CA GLU A 130 8.371 -2.124 4.102 1.00 0.43 C ATOM 1968 C GLU A 130 7.386 -2.832 3.182 1.00 0.36 C ATOM 1969 O GLU A 130 7.464 -4.042 2.942 1.00 0.35 O ATOM 1970 CB GLU A 130 7.778 -2.042 5.516 1.00 0.61 C ATOM 1971 CG GLU A 130 8.340 -0.914 6.367 1.00 0.63 C ATOM 1972 CD GLU A 130 9.784 -1.122 6.783 1.00 1.04 C ATOM 1973 OE1 GLU A 130 10.610 -1.511 5.931 1.00 1.64 O ATOM 1974 OE2 GLU A 130 10.098 -0.909 7.977 1.00 1.63 O ATOM 0 H GLU A 130 8.409 -0.026 4.219 1.00 0.37 H new ATOM 0 HA GLU A 130 9.308 -2.678 4.150 1.00 0.43 H new ATOM 0 HB2 GLU A 130 6.698 -1.918 5.438 1.00 0.61 H new ATOM 0 HB3 GLU A 130 7.954 -2.989 6.027 1.00 0.61 H new ATOM 0 HG2 GLU A 130 8.263 0.021 5.812 1.00 0.63 H new ATOM 0 HG3 GLU A 130 7.726 -0.805 7.261 1.00 0.63 H new ATOM 1981 N LEU A 131 6.470 -2.045 2.650 1.00 0.36 N ATOM 1982 CA LEU A 131 5.499 -2.530 1.702 1.00 0.37 C ATOM 1983 C LEU A 131 6.186 -2.987 0.431 1.00 0.29 C ATOM 1984 O LEU A 131 5.878 -4.054 -0.098 1.00 0.32 O ATOM 1985 CB LEU A 131 4.502 -1.420 1.402 1.00 0.49 C ATOM 1986 CG LEU A 131 3.134 -1.589 2.052 1.00 0.71 C ATOM 1987 CD1 LEU A 131 3.261 -1.927 3.509 1.00 1.36 C ATOM 1988 CD2 LEU A 131 2.354 -0.321 1.933 1.00 1.18 C ATOM 0 H LEU A 131 6.383 -1.052 2.866 1.00 0.36 H new ATOM 0 HA LEU A 131 4.971 -3.385 2.125 1.00 0.37 H new ATOM 0 HB2 LEU A 131 4.928 -0.472 1.729 1.00 0.49 H new ATOM 0 HB3 LEU A 131 4.369 -1.354 0.322 1.00 0.49 H new ATOM 0 HG LEU A 131 2.624 -2.403 1.537 1.00 0.71 H new ATOM 0 HD11 LEU A 131 2.268 -2.041 3.944 1.00 1.36 H new ATOM 0 HD12 LEU A 131 3.815 -2.859 3.619 1.00 1.36 H new ATOM 0 HD13 LEU A 131 3.793 -1.126 4.023 1.00 1.36 H new ATOM 0 HD21 LEU A 131 1.377 -0.449 2.400 1.00 1.18 H new ATOM 0 HD22 LEU A 131 2.892 0.485 2.432 1.00 1.18 H new ATOM 0 HD23 LEU A 131 2.223 -0.072 0.880 1.00 1.18 H new ATOM 2000 N MET A 132 7.153 -2.210 -0.035 1.00 0.25 N ATOM 2001 CA MET A 132 7.831 -2.541 -1.274 1.00 0.26 C ATOM 2002 C MET A 132 8.813 -3.691 -1.061 1.00 0.30 C ATOM 2003 O MET A 132 9.346 -4.251 -2.021 1.00 0.37 O ATOM 2004 CB MET A 132 8.523 -1.316 -1.890 1.00 0.32 C ATOM 2005 CG MET A 132 9.856 -0.942 -1.263 1.00 0.88 C ATOM 2006 SD MET A 132 11.260 -1.540 -2.223 1.00 1.60 S ATOM 2007 CE MET A 132 10.953 -0.716 -3.786 1.00 1.61 C ATOM 0 H MET A 132 7.480 -1.358 0.420 1.00 0.25 H new ATOM 0 HA MET A 132 7.076 -2.870 -1.988 1.00 0.26 H new ATOM 0 HB2 MET A 132 8.679 -1.503 -2.952 1.00 0.32 H new ATOM 0 HB3 MET A 132 7.851 -0.462 -1.812 1.00 0.32 H new ATOM 0 HG2 MET A 132 9.919 0.142 -1.170 1.00 0.88 H new ATOM 0 HG3 MET A 132 9.908 -1.352 -0.255 1.00 0.88 H new ATOM 0 HE1 MET A 132 11.896 -0.363 -4.203 1.00 1.61 H new ATOM 0 HE2 MET A 132 10.489 -1.416 -4.481 1.00 1.61 H new ATOM 0 HE3 MET A 132 10.287 0.132 -3.626 1.00 1.61 H new ATOM 2017 N GLU A 133 9.018 -4.061 0.201 1.00 0.32 N ATOM 2018 CA GLU A 133 9.796 -5.240 0.537 1.00 0.40 C ATOM 2019 C GLU A 133 8.974 -6.459 0.172 1.00 0.38 C ATOM 2020 O GLU A 133 9.493 -7.469 -0.302 1.00 0.45 O ATOM 2021 CB GLU A 133 10.127 -5.252 2.027 1.00 0.54 C ATOM 2022 CG GLU A 133 10.974 -4.077 2.480 1.00 0.79 C ATOM 2023 CD GLU A 133 12.421 -4.197 2.061 1.00 1.07 C ATOM 2024 OE1 GLU A 133 12.743 -3.861 0.900 1.00 1.67 O ATOM 2025 OE2 GLU A 133 13.247 -4.624 2.891 1.00 1.53 O ATOM 0 H GLU A 133 8.652 -3.555 1.008 1.00 0.32 H new ATOM 0 HA GLU A 133 10.737 -5.239 -0.013 1.00 0.40 H new ATOM 0 HB2 GLU A 133 9.197 -5.257 2.595 1.00 0.54 H new ATOM 0 HB3 GLU A 133 10.651 -6.178 2.265 1.00 0.54 H new ATOM 0 HG2 GLU A 133 10.558 -3.157 2.070 1.00 0.79 H new ATOM 0 HG3 GLU A 133 10.921 -3.995 3.566 1.00 0.79 H new ATOM 2032 N TYR A 134 7.672 -6.333 0.388 1.00 0.35 N ATOM 2033 CA TYR A 134 6.710 -7.323 -0.064 1.00 0.40 C ATOM 2034 C TYR A 134 6.198 -6.957 -1.459 1.00 0.41 C ATOM 2035 O TYR A 134 5.075 -7.288 -1.849 1.00 0.50 O ATOM 2036 CB TYR A 134 5.591 -7.439 0.961 1.00 0.46 C ATOM 2037 CG TYR A 134 6.082 -8.024 2.272 1.00 0.55 C ATOM 2038 CD1 TYR A 134 6.904 -9.146 2.272 1.00 0.98 C ATOM 2039 CD2 TYR A 134 5.766 -7.446 3.498 1.00 0.88 C ATOM 2040 CE1 TYR A 134 7.391 -9.679 3.450 1.00 1.08 C ATOM 2041 CE2 TYR A 134 6.258 -7.972 4.679 1.00 0.95 C ATOM 2042 CZ TYR A 134 7.066 -9.088 4.648 1.00 0.80 C ATOM 2043 OH TYR A 134 7.555 -9.614 5.823 1.00 0.95 O ATOM 0 H TYR A 134 7.256 -5.543 0.881 1.00 0.35 H new ATOM 0 HA TYR A 134 7.182 -8.302 -0.149 1.00 0.40 H new ATOM 0 HB2 TYR A 134 5.161 -6.454 1.142 1.00 0.46 H new ATOM 0 HB3 TYR A 134 4.795 -8.066 0.560 1.00 0.46 H new ATOM 0 HD1 TYR A 134 7.167 -9.610 1.333 1.00 0.98 H new ATOM 0 HD2 TYR A 134 5.128 -6.575 3.528 1.00 0.88 H new ATOM 0 HE1 TYR A 134 8.023 -10.554 3.430 1.00 1.08 H new ATOM 0 HE2 TYR A 134 6.010 -7.509 5.623 1.00 0.95 H new ATOM 0 HH TYR A 134 7.234 -9.080 6.579 1.00 0.95 H new ATOM 2053 N ASN A 135 7.074 -6.269 -2.188 1.00 0.36 N ATOM 2054 CA ASN A 135 6.848 -5.811 -3.554 1.00 0.43 C ATOM 2055 C ASN A 135 5.530 -5.062 -3.703 1.00 0.48 C ATOM 2056 O ASN A 135 4.685 -5.403 -4.533 1.00 0.64 O ATOM 2057 CB ASN A 135 6.935 -6.968 -4.546 1.00 0.58 C ATOM 2058 CG ASN A 135 7.107 -6.471 -5.958 1.00 0.71 C ATOM 2059 OD1 ASN A 135 7.637 -5.382 -6.181 1.00 0.89 O ATOM 2060 ND2 ASN A 135 6.687 -7.263 -6.921 1.00 1.10 N ATOM 0 H ASN A 135 7.992 -6.007 -1.830 1.00 0.36 H new ATOM 0 HA ASN A 135 7.645 -5.104 -3.784 1.00 0.43 H new ATOM 0 HB2 ASN A 135 7.773 -7.614 -4.282 1.00 0.58 H new ATOM 0 HB3 ASN A 135 6.032 -7.574 -4.480 1.00 0.58 H new ATOM 0 HD21 ASN A 135 6.795 -6.983 -7.896 1.00 1.10 H new ATOM 0 HD22 ASN A 135 6.253 -8.157 -6.693 1.00 1.10 H new ATOM 2067 N LEU A 136 5.351 -4.066 -2.864 1.00 0.44 N ATOM 2068 CA LEU A 136 4.290 -3.105 -3.021 1.00 0.54 C ATOM 2069 C LEU A 136 4.894 -1.758 -3.318 1.00 0.41 C ATOM 2070 O LEU A 136 5.345 -1.059 -2.413 1.00 0.47 O ATOM 2071 CB LEU A 136 3.477 -3.042 -1.759 1.00 0.78 C ATOM 2072 CG LEU A 136 2.675 -4.293 -1.475 1.00 0.64 C ATOM 2073 CD1 LEU A 136 2.196 -4.286 -0.042 1.00 1.36 C ATOM 2074 CD2 LEU A 136 1.511 -4.388 -2.440 1.00 1.17 C ATOM 0 H LEU A 136 5.943 -3.902 -2.050 1.00 0.44 H new ATOM 0 HA LEU A 136 3.637 -3.399 -3.843 1.00 0.54 H new ATOM 0 HB2 LEU A 136 4.145 -2.854 -0.919 1.00 0.78 H new ATOM 0 HB3 LEU A 136 2.796 -2.193 -1.821 1.00 0.78 H new ATOM 0 HG LEU A 136 3.308 -5.169 -1.616 1.00 0.64 H new ATOM 0 HD11 LEU A 136 1.620 -5.190 0.153 1.00 1.36 H new ATOM 0 HD12 LEU A 136 3.055 -4.251 0.628 1.00 1.36 H new ATOM 0 HD13 LEU A 136 1.568 -3.412 0.127 1.00 1.36 H new ATOM 0 HD21 LEU A 136 0.937 -5.291 -2.230 1.00 1.17 H new ATOM 0 HD22 LEU A 136 0.869 -3.515 -2.323 1.00 1.17 H new ATOM 0 HD23 LEU A 136 1.888 -4.427 -3.462 1.00 1.17 H new ATOM 2086 N VAL A 137 4.917 -1.395 -4.579 1.00 0.31 N ATOM 2087 CA VAL A 137 5.690 -0.245 -4.990 1.00 0.27 C ATOM 2088 C VAL A 137 4.819 0.977 -5.184 1.00 0.29 C ATOM 2089 O VAL A 137 3.931 1.007 -6.037 1.00 0.33 O ATOM 2090 CB VAL A 137 6.489 -0.499 -6.271 1.00 0.29 C ATOM 2091 CG1 VAL A 137 7.382 0.698 -6.562 1.00 0.43 C ATOM 2092 CG2 VAL A 137 7.302 -1.775 -6.153 1.00 0.41 C ATOM 0 H VAL A 137 4.417 -1.871 -5.330 1.00 0.31 H new ATOM 0 HA VAL A 137 6.393 -0.061 -4.177 1.00 0.27 H new ATOM 0 HB VAL A 137 5.797 -0.628 -7.104 1.00 0.29 H new ATOM 0 HG11 VAL A 137 7.950 0.515 -7.474 1.00 0.43 H new ATOM 0 HG12 VAL A 137 6.767 1.588 -6.690 1.00 0.43 H new ATOM 0 HG13 VAL A 137 8.070 0.849 -5.730 1.00 0.43 H new ATOM 0 HG21 VAL A 137 7.862 -1.936 -7.074 1.00 0.41 H new ATOM 0 HG22 VAL A 137 7.996 -1.688 -5.317 1.00 0.41 H new ATOM 0 HG23 VAL A 137 6.633 -2.618 -5.983 1.00 0.41 H new ATOM 2102 N PRO A 138 5.063 1.984 -4.341 1.00 0.34 N ATOM 2103 CA PRO A 138 4.482 3.302 -4.461 1.00 0.43 C ATOM 2104 C PRO A 138 4.506 3.803 -5.878 1.00 0.43 C ATOM 2105 O PRO A 138 5.488 3.637 -6.605 1.00 0.45 O ATOM 2106 CB PRO A 138 5.395 4.150 -3.591 1.00 0.53 C ATOM 2107 CG PRO A 138 5.860 3.231 -2.529 1.00 0.54 C ATOM 2108 CD PRO A 138 5.913 1.873 -3.158 1.00 0.39 C ATOM 0 HA PRO A 138 3.433 3.323 -4.165 1.00 0.43 H new ATOM 0 HB2 PRO A 138 6.232 4.548 -4.165 1.00 0.53 H new ATOM 0 HB3 PRO A 138 4.862 5.003 -3.171 1.00 0.53 H new ATOM 0 HG2 PRO A 138 6.841 3.528 -2.157 1.00 0.54 H new ATOM 0 HG3 PRO A 138 5.179 3.241 -1.678 1.00 0.54 H new ATOM 0 HD2 PRO A 138 6.933 1.600 -3.427 1.00 0.39 H new ATOM 0 HD3 PRO A 138 5.546 1.105 -2.476 1.00 0.39 H new ATOM 2116 N GLU A 139 3.425 4.421 -6.267 1.00 0.48 N ATOM 2117 CA GLU A 139 3.328 4.975 -7.612 1.00 0.56 C ATOM 2118 C GLU A 139 4.183 6.231 -7.720 1.00 0.56 C ATOM 2119 O GLU A 139 4.485 6.703 -8.816 1.00 0.64 O ATOM 2120 CB GLU A 139 1.873 5.231 -8.023 1.00 0.71 C ATOM 2121 CG GLU A 139 1.071 6.086 -7.057 1.00 1.35 C ATOM 2122 CD GLU A 139 1.343 7.573 -7.205 1.00 2.40 C ATOM 2123 OE1 GLU A 139 1.002 8.146 -8.260 1.00 2.78 O ATOM 2124 OE2 GLU A 139 1.881 8.182 -6.258 1.00 3.08 O ATOM 0 H GLU A 139 2.598 4.559 -5.686 1.00 0.48 H new ATOM 0 HA GLU A 139 3.715 4.238 -8.316 1.00 0.56 H new ATOM 0 HB2 GLU A 139 1.867 5.713 -9.001 1.00 0.71 H new ATOM 0 HB3 GLU A 139 1.370 4.271 -8.138 1.00 0.71 H new ATOM 0 HG2 GLU A 139 0.008 5.900 -7.214 1.00 1.35 H new ATOM 0 HG3 GLU A 139 1.300 5.781 -6.036 1.00 1.35 H new ATOM 2131 N GLU A 140 4.582 6.754 -6.562 1.00 0.54 N ATOM 2132 CA GLU A 140 5.598 7.793 -6.497 1.00 0.60 C ATOM 2133 C GLU A 140 6.945 7.241 -6.960 1.00 0.56 C ATOM 2134 O GLU A 140 7.799 7.987 -7.435 1.00 0.65 O ATOM 2135 CB GLU A 140 5.723 8.370 -5.071 1.00 0.67 C ATOM 2136 CG GLU A 140 5.461 7.382 -3.954 1.00 0.63 C ATOM 2137 CD GLU A 140 3.990 7.261 -3.627 1.00 1.12 C ATOM 2138 OE1 GLU A 140 3.470 8.118 -2.889 1.00 1.27 O ATOM 2139 OE2 GLU A 140 3.349 6.305 -4.110 1.00 1.57 O ATOM 0 H GLU A 140 4.213 6.471 -5.654 1.00 0.54 H new ATOM 0 HA GLU A 140 5.293 8.602 -7.161 1.00 0.60 H new ATOM 0 HB2 GLU A 140 6.726 8.777 -4.947 1.00 0.67 H new ATOM 0 HB3 GLU A 140 5.026 9.202 -4.970 1.00 0.67 H new ATOM 0 HG2 GLU A 140 5.849 6.404 -4.239 1.00 0.63 H new ATOM 0 HG3 GLU A 140 6.005 7.693 -3.062 1.00 0.63 H new ATOM 2146 N TRP A 141 7.135 5.929 -6.818 1.00 0.47 N ATOM 2147 CA TRP A 141 8.375 5.293 -7.218 1.00 0.49 C ATOM 2148 C TRP A 141 8.205 4.591 -8.558 1.00 0.51 C ATOM 2149 O TRP A 141 9.183 4.211 -9.203 1.00 0.66 O ATOM 2150 CB TRP A 141 8.823 4.301 -6.168 1.00 0.45 C ATOM 2151 CG TRP A 141 8.918 4.882 -4.786 1.00 0.46 C ATOM 2152 CD1 TRP A 141 8.875 6.201 -4.427 1.00 0.54 C ATOM 2153 CD2 TRP A 141 9.071 4.149 -3.579 1.00 0.44 C ATOM 2154 NE1 TRP A 141 8.967 6.320 -3.063 1.00 0.55 N ATOM 2155 CE2 TRP A 141 9.095 5.070 -2.520 1.00 0.49 C ATOM 2156 CE3 TRP A 141 9.187 2.793 -3.298 1.00 0.45 C ATOM 2157 CZ2 TRP A 141 9.220 4.675 -1.193 1.00 0.52 C ATOM 2158 CZ3 TRP A 141 9.313 2.397 -1.985 1.00 0.50 C ATOM 2159 CH2 TRP A 141 9.331 3.336 -0.943 1.00 0.52 C ATOM 0 H TRP A 141 6.441 5.292 -6.428 1.00 0.47 H new ATOM 0 HA TRP A 141 9.138 6.065 -7.320 1.00 0.49 H new ATOM 0 HB2 TRP A 141 8.126 3.463 -6.153 1.00 0.45 H new ATOM 0 HB3 TRP A 141 9.796 3.901 -6.451 1.00 0.45 H new ATOM 0 HD1 TRP A 141 8.782 7.028 -5.116 1.00 0.54 H new ATOM 0 HE1 TRP A 141 8.944 7.195 -2.540 1.00 0.55 H new ATOM 0 HE3 TRP A 141 9.179 2.063 -4.094 1.00 0.45 H new ATOM 0 HZ2 TRP A 141 9.229 5.398 -0.391 1.00 0.52 H new ATOM 0 HZ3 TRP A 141 9.399 1.346 -1.754 1.00 0.50 H new ATOM 0 HH2 TRP A 141 9.435 2.994 0.076 1.00 0.52 H new ATOM 2170 N GLY A 142 6.956 4.409 -8.961 1.00 0.45 N ATOM 2171 CA GLY A 142 6.672 3.858 -10.269 1.00 0.50 C ATOM 2172 C GLY A 142 6.235 2.407 -10.234 1.00 0.45 C ATOM 2173 O GLY A 142 6.397 1.693 -11.221 1.00 0.53 O ATOM 0 H GLY A 142 6.132 4.634 -8.403 1.00 0.45 H new ATOM 0 HA2 GLY A 142 5.891 4.453 -10.743 1.00 0.50 H new ATOM 0 HA3 GLY A 142 7.562 3.946 -10.892 1.00 0.50 H new ATOM 2177 N GLY A 143 5.684 1.953 -9.110 1.00 0.39 N ATOM 2178 CA GLY A 143 5.183 0.598 -9.049 1.00 0.41 C ATOM 2179 C GLY A 143 3.734 0.510 -9.458 1.00 0.45 C ATOM 2180 O GLY A 143 3.371 0.889 -10.572 1.00 0.60 O ATOM 0 H GLY A 143 5.578 2.495 -8.252 1.00 0.39 H new ATOM 0 HA2 GLY A 143 5.782 -0.039 -9.699 1.00 0.41 H new ATOM 0 HA3 GLY A 143 5.297 0.215 -8.035 1.00 0.41 H new ATOM 2184 N ASP A 144 2.901 0.034 -8.549 1.00 0.40 N ATOM 2185 CA ASP A 144 1.480 -0.103 -8.835 1.00 0.45 C ATOM 2186 C ASP A 144 0.635 -0.134 -7.565 1.00 0.33 C ATOM 2187 O ASP A 144 -0.088 -1.100 -7.259 1.00 0.35 O ATOM 2188 CB ASP A 144 1.214 -1.344 -9.701 1.00 0.64 C ATOM 2189 CG ASP A 144 1.929 -2.595 -9.207 1.00 1.33 C ATOM 2190 OD1 ASP A 144 1.405 -3.246 -8.276 1.00 1.91 O ATOM 2191 OD2 ASP A 144 3.017 -2.928 -9.726 1.00 1.91 O ATOM 0 H ASP A 144 3.179 -0.262 -7.613 1.00 0.40 H new ATOM 0 HA ASP A 144 1.180 0.782 -9.396 1.00 0.45 H new ATOM 0 HB2 ASP A 144 0.141 -1.535 -9.728 1.00 0.64 H new ATOM 0 HB3 ASP A 144 1.527 -1.137 -10.724 1.00 0.64 H new ATOM 2196 N THR A 145 0.686 0.972 -6.857 1.00 0.26 N ATOM 2197 CA THR A 145 -0.139 1.182 -5.697 1.00 0.24 C ATOM 2198 C THR A 145 -0.231 2.666 -5.387 1.00 0.27 C ATOM 2199 O THR A 145 0.791 3.345 -5.270 1.00 0.37 O ATOM 2200 CB THR A 145 0.416 0.447 -4.461 1.00 0.25 C ATOM 2201 OG1 THR A 145 0.391 -0.971 -4.663 1.00 0.30 O ATOM 2202 CG2 THR A 145 -0.390 0.806 -3.229 1.00 0.30 C ATOM 0 H THR A 145 1.305 1.753 -7.074 1.00 0.26 H new ATOM 0 HA THR A 145 -1.127 0.781 -5.923 1.00 0.24 H new ATOM 0 HB THR A 145 1.449 0.761 -4.313 1.00 0.25 H new ATOM 0 HG1 THR A 145 -0.138 -1.178 -5.461 1.00 0.30 H new ATOM 0 HG21 THR A 145 0.013 0.279 -2.364 1.00 0.30 H new ATOM 0 HG22 THR A 145 -0.334 1.881 -3.058 1.00 0.30 H new ATOM 0 HG23 THR A 145 -1.430 0.516 -3.377 1.00 0.30 H new ATOM 2210 N ILE A 146 -1.450 3.175 -5.280 1.00 0.26 N ATOM 2211 CA ILE A 146 -1.653 4.527 -4.823 1.00 0.28 C ATOM 2212 C ILE A 146 -1.414 4.571 -3.322 1.00 0.23 C ATOM 2213 O ILE A 146 -2.218 4.075 -2.532 1.00 0.24 O ATOM 2214 CB ILE A 146 -3.070 5.032 -5.158 1.00 0.36 C ATOM 2215 CG1 ILE A 146 -3.243 5.183 -6.672 1.00 0.53 C ATOM 2216 CG2 ILE A 146 -3.349 6.345 -4.452 1.00 0.34 C ATOM 2217 CD1 ILE A 146 -2.343 6.236 -7.281 1.00 0.63 C ATOM 0 H ILE A 146 -2.306 2.668 -5.505 1.00 0.26 H new ATOM 0 HA ILE A 146 -0.950 5.184 -5.335 1.00 0.28 H new ATOM 0 HB ILE A 146 -3.791 4.295 -4.804 1.00 0.36 H new ATOM 0 HG12 ILE A 146 -3.042 4.224 -7.150 1.00 0.53 H new ATOM 0 HG13 ILE A 146 -4.281 5.435 -6.888 1.00 0.53 H new ATOM 0 HG21 ILE A 146 -4.354 6.686 -4.701 1.00 0.34 H new ATOM 0 HG22 ILE A 146 -3.271 6.202 -3.374 1.00 0.34 H new ATOM 0 HG23 ILE A 146 -2.623 7.092 -4.773 1.00 0.34 H new ATOM 0 HD11 ILE A 146 -2.519 6.288 -8.355 1.00 0.63 H new ATOM 0 HD12 ILE A 146 -2.559 7.205 -6.830 1.00 0.63 H new ATOM 0 HD13 ILE A 146 -1.301 5.975 -7.097 1.00 0.63 H new ATOM 2229 N PHE A 147 -0.274 5.113 -2.954 1.00 0.25 N ATOM 2230 CA PHE A 147 0.127 5.190 -1.563 1.00 0.30 C ATOM 2231 C PHE A 147 -0.340 6.489 -0.922 1.00 0.32 C ATOM 2232 O PHE A 147 0.226 7.557 -1.149 1.00 0.50 O ATOM 2233 CB PHE A 147 1.634 5.083 -1.441 1.00 0.41 C ATOM 2234 CG PHE A 147 2.142 3.680 -1.320 1.00 0.33 C ATOM 2235 CD1 PHE A 147 2.145 2.834 -2.415 1.00 0.32 C ATOM 2236 CD2 PHE A 147 2.606 3.205 -0.114 1.00 0.37 C ATOM 2237 CE1 PHE A 147 2.605 1.537 -2.302 1.00 0.33 C ATOM 2238 CE2 PHE A 147 3.066 1.908 0.006 1.00 0.36 C ATOM 2239 CZ PHE A 147 3.097 1.085 -1.101 1.00 0.33 C ATOM 0 H PHE A 147 0.401 5.512 -3.607 1.00 0.25 H new ATOM 0 HA PHE A 147 -0.342 4.357 -1.040 1.00 0.30 H new ATOM 0 HB2 PHE A 147 2.092 5.549 -2.313 1.00 0.41 H new ATOM 0 HB3 PHE A 147 1.958 5.651 -0.569 1.00 0.41 H new ATOM 0 HD1 PHE A 147 1.784 3.192 -3.368 1.00 0.32 H new ATOM 0 HD2 PHE A 147 2.610 3.854 0.749 1.00 0.37 H new ATOM 0 HE1 PHE A 147 2.578 0.878 -3.157 1.00 0.33 H new ATOM 0 HE2 PHE A 147 3.401 1.539 0.964 1.00 0.36 H new ATOM 0 HZ PHE A 147 3.507 0.089 -1.024 1.00 0.33 H new ATOM 2249 N CYS A 148 -1.361 6.377 -0.110 1.00 0.26 N ATOM 2250 CA CYS A 148 -1.923 7.515 0.596 1.00 0.27 C ATOM 2251 C CYS A 148 -1.313 7.611 1.986 1.00 0.31 C ATOM 2252 O CYS A 148 -1.095 6.597 2.636 1.00 0.53 O ATOM 2253 CB CYS A 148 -3.439 7.349 0.699 1.00 0.30 C ATOM 2254 SG CYS A 148 -4.256 7.085 -0.890 1.00 0.68 S ATOM 0 H CYS A 148 -1.832 5.493 0.085 1.00 0.26 H new ATOM 0 HA CYS A 148 -1.698 8.431 0.049 1.00 0.27 H new ATOM 0 HB2 CYS A 148 -3.659 6.506 1.354 1.00 0.30 H new ATOM 0 HB3 CYS A 148 -3.861 8.237 1.170 1.00 0.30 H new ATOM 0 HG CYS A 148 -3.586 7.686 -1.828 1.00 0.68 H new ATOM 2260 N LYS A 149 -1.015 8.819 2.435 1.00 0.29 N ATOM 2261 CA LYS A 149 -0.507 9.023 3.786 1.00 0.28 C ATOM 2262 C LYS A 149 -1.521 9.827 4.585 1.00 0.28 C ATOM 2263 O LYS A 149 -1.632 11.046 4.420 1.00 0.40 O ATOM 2264 CB LYS A 149 0.849 9.746 3.782 1.00 0.36 C ATOM 2265 CG LYS A 149 1.910 9.087 2.911 1.00 0.56 C ATOM 2266 CD LYS A 149 1.888 9.644 1.498 1.00 0.89 C ATOM 2267 CE LYS A 149 2.885 8.944 0.592 1.00 1.01 C ATOM 2268 NZ LYS A 149 2.855 9.509 -0.782 1.00 1.44 N ATOM 0 H LYS A 149 -1.115 9.673 1.887 1.00 0.29 H new ATOM 0 HA LYS A 149 -0.356 8.046 4.245 1.00 0.28 H new ATOM 0 HB2 LYS A 149 0.700 10.770 3.440 1.00 0.36 H new ATOM 0 HB3 LYS A 149 1.220 9.803 4.805 1.00 0.36 H new ATOM 0 HG2 LYS A 149 2.895 9.245 3.351 1.00 0.56 H new ATOM 0 HG3 LYS A 149 1.743 8.010 2.882 1.00 0.56 H new ATOM 0 HD2 LYS A 149 0.886 9.539 1.083 1.00 0.89 H new ATOM 0 HD3 LYS A 149 2.111 10.711 1.526 1.00 0.89 H new ATOM 0 HE2 LYS A 149 3.888 9.043 1.006 1.00 1.01 H new ATOM 0 HE3 LYS A 149 2.660 7.878 0.554 1.00 1.01 H new ATOM 0 HZ1 LYS A 149 2.975 8.743 -1.475 1.00 1.44 H new ATOM 0 HZ2 LYS A 149 1.943 9.982 -0.943 1.00 1.44 H new ATOM 0 HZ3 LYS A 149 3.626 10.198 -0.891 1.00 1.44 H new ATOM 2282 N LEU A 150 -2.264 9.146 5.439 1.00 0.21 N ATOM 2283 CA LEU A 150 -3.362 9.763 6.147 1.00 0.22 C ATOM 2284 C LEU A 150 -3.237 9.581 7.654 1.00 0.19 C ATOM 2285 O LEU A 150 -2.257 9.054 8.174 1.00 0.17 O ATOM 2286 CB LEU A 150 -4.685 9.174 5.652 1.00 0.25 C ATOM 2287 CG LEU A 150 -4.930 7.701 5.949 1.00 0.26 C ATOM 2288 CD1 LEU A 150 -5.722 7.514 7.230 1.00 0.79 C ATOM 2289 CD2 LEU A 150 -5.635 7.039 4.786 1.00 0.84 C ATOM 0 H LEU A 150 -2.122 8.160 5.657 1.00 0.21 H new ATOM 0 HA LEU A 150 -3.336 10.834 5.945 1.00 0.22 H new ATOM 0 HB2 LEU A 150 -5.500 9.750 6.091 1.00 0.25 H new ATOM 0 HB3 LEU A 150 -4.739 9.317 4.573 1.00 0.25 H new ATOM 0 HG LEU A 150 -3.960 7.224 6.090 1.00 0.26 H new ATOM 0 HD11 LEU A 150 -5.878 6.450 7.410 1.00 0.79 H new ATOM 0 HD12 LEU A 150 -5.171 7.946 8.065 1.00 0.79 H new ATOM 0 HD13 LEU A 150 -6.687 8.011 7.137 1.00 0.79 H new ATOM 0 HD21 LEU A 150 -5.803 5.986 5.014 1.00 0.84 H new ATOM 0 HD22 LEU A 150 -6.593 7.530 4.614 1.00 0.84 H new ATOM 0 HD23 LEU A 150 -5.018 7.123 3.891 1.00 0.84 H new ATOM 2301 N SER A 151 -4.266 10.013 8.330 1.00 0.26 N ATOM 2302 CA SER A 151 -4.361 9.973 9.764 1.00 0.29 C ATOM 2303 C SER A 151 -5.822 9.882 10.145 1.00 0.25 C ATOM 2304 O SER A 151 -6.510 10.898 10.247 1.00 0.29 O ATOM 2305 CB SER A 151 -3.762 11.241 10.335 1.00 0.46 C ATOM 2306 OG SER A 151 -3.997 12.334 9.462 1.00 1.77 O ATOM 0 H SER A 151 -5.089 10.416 7.883 1.00 0.26 H new ATOM 0 HA SER A 151 -3.822 9.112 10.158 1.00 0.29 H new ATOM 0 HB2 SER A 151 -4.197 11.448 11.313 1.00 0.46 H new ATOM 0 HB3 SER A 151 -2.690 11.110 10.484 1.00 0.46 H new ATOM 0 HG SER A 151 -3.882 13.175 9.952 1.00 1.77 H new ATOM 2312 N ALA A 152 -6.310 8.671 10.310 1.00 0.28 N ATOM 2313 CA ALA A 152 -7.695 8.476 10.688 1.00 0.31 C ATOM 2314 C ALA A 152 -7.917 8.970 12.103 1.00 0.33 C ATOM 2315 O ALA A 152 -9.048 9.170 12.535 1.00 0.41 O ATOM 2316 CB ALA A 152 -8.077 7.023 10.553 1.00 0.41 C ATOM 0 H ALA A 152 -5.774 7.812 10.190 1.00 0.28 H new ATOM 0 HA ALA A 152 -8.333 9.053 10.018 1.00 0.31 H new ATOM 0 HB1 ALA A 152 -9.120 6.893 10.841 1.00 0.41 H new ATOM 0 HB2 ALA A 152 -7.944 6.706 9.519 1.00 0.41 H new ATOM 0 HB3 ALA A 152 -7.444 6.418 11.202 1.00 0.41 H new ATOM 2322 N LYS A 153 -6.817 9.154 12.818 1.00 0.30 N ATOM 2323 CA LYS A 153 -6.860 9.778 14.123 1.00 0.34 C ATOM 2324 C LYS A 153 -7.283 11.242 14.012 1.00 0.36 C ATOM 2325 O LYS A 153 -8.253 11.654 14.637 1.00 0.49 O ATOM 2326 CB LYS A 153 -5.506 9.675 14.791 1.00 0.35 C ATOM 2327 CG LYS A 153 -5.564 9.293 16.259 1.00 0.60 C ATOM 2328 CD LYS A 153 -6.198 10.382 17.117 1.00 1.12 C ATOM 2329 CE LYS A 153 -5.424 11.696 17.045 1.00 1.65 C ATOM 2330 NZ LYS A 153 -4.025 11.560 17.534 1.00 2.30 N ATOM 0 H LYS A 153 -5.884 8.878 12.512 1.00 0.30 H new ATOM 0 HA LYS A 153 -7.598 9.255 14.731 1.00 0.34 H new ATOM 0 HB2 LYS A 153 -4.906 8.937 14.259 1.00 0.35 H new ATOM 0 HB3 LYS A 153 -4.993 10.632 14.696 1.00 0.35 H new ATOM 0 HG2 LYS A 153 -6.133 8.370 16.369 1.00 0.60 H new ATOM 0 HG3 LYS A 153 -4.555 9.091 16.619 1.00 0.60 H new ATOM 0 HD2 LYS A 153 -7.224 10.548 16.790 1.00 1.12 H new ATOM 0 HD3 LYS A 153 -6.244 10.046 18.153 1.00 1.12 H new ATOM 0 HE2 LYS A 153 -5.413 12.051 16.015 1.00 1.65 H new ATOM 0 HE3 LYS A 153 -5.941 12.451 17.637 1.00 1.65 H new ATOM 0 HZ1 LYS A 153 -3.676 12.487 17.850 1.00 2.30 H new ATOM 0 HZ2 LYS A 153 -3.999 10.891 18.330 1.00 2.30 H new ATOM 0 HZ3 LYS A 153 -3.421 11.207 16.765 1.00 2.30 H new ATOM 2344 N THR A 154 -6.561 12.035 13.213 1.00 0.30 N ATOM 2345 CA THR A 154 -6.889 13.451 13.104 1.00 0.39 C ATOM 2346 C THR A 154 -7.985 13.716 12.077 1.00 0.36 C ATOM 2347 O THR A 154 -8.489 14.839 11.978 1.00 0.41 O ATOM 2348 CB THR A 154 -5.651 14.289 12.776 1.00 0.47 C ATOM 2349 OG1 THR A 154 -4.752 13.523 11.974 1.00 0.50 O ATOM 2350 CG2 THR A 154 -4.954 14.742 14.050 1.00 0.70 C ATOM 0 H THR A 154 -5.769 11.728 12.649 1.00 0.30 H new ATOM 0 HA THR A 154 -7.268 13.752 14.081 1.00 0.39 H new ATOM 0 HB THR A 154 -5.965 15.175 12.224 1.00 0.47 H new ATOM 0 HG1 THR A 154 -4.092 14.119 11.562 1.00 0.50 H new ATOM 0 HG21 THR A 154 -4.077 15.336 13.793 1.00 0.70 H new ATOM 0 HG22 THR A 154 -5.640 15.345 14.645 1.00 0.70 H new ATOM 0 HG23 THR A 154 -4.645 13.869 14.626 1.00 0.70 H new ATOM 2358 N LYS A 155 -8.337 12.677 11.316 1.00 0.30 N ATOM 2359 CA LYS A 155 -9.442 12.748 10.353 1.00 0.32 C ATOM 2360 C LYS A 155 -9.069 13.608 9.162 1.00 0.34 C ATOM 2361 O LYS A 155 -9.870 14.410 8.683 1.00 0.41 O ATOM 2362 CB LYS A 155 -10.727 13.288 10.994 1.00 0.38 C ATOM 2363 CG LYS A 155 -11.581 12.228 11.661 1.00 0.40 C ATOM 2364 CD LYS A 155 -11.890 11.103 10.695 1.00 0.45 C ATOM 2365 CE LYS A 155 -13.075 10.278 11.162 1.00 0.61 C ATOM 2366 NZ LYS A 155 -14.322 11.086 11.216 1.00 1.36 N ATOM 0 H LYS A 155 -7.870 11.771 11.348 1.00 0.30 H new ATOM 0 HA LYS A 155 -9.631 11.729 10.016 1.00 0.32 H new ATOM 0 HB2 LYS A 155 -10.461 14.043 11.734 1.00 0.38 H new ATOM 0 HB3 LYS A 155 -11.320 13.787 10.228 1.00 0.38 H new ATOM 0 HG2 LYS A 155 -11.062 11.832 12.534 1.00 0.40 H new ATOM 0 HG3 LYS A 155 -12.510 12.673 12.017 1.00 0.40 H new ATOM 0 HD2 LYS A 155 -12.100 11.517 9.708 1.00 0.45 H new ATOM 0 HD3 LYS A 155 -11.016 10.460 10.592 1.00 0.45 H new ATOM 0 HE2 LYS A 155 -13.218 9.433 10.488 1.00 0.61 H new ATOM 0 HE3 LYS A 155 -12.865 9.867 12.149 1.00 0.61 H new ATOM 0 HZ1 LYS A 155 -15.126 10.506 10.901 1.00 1.36 H new ATOM 0 HZ2 LYS A 155 -14.487 11.405 12.192 1.00 1.36 H new ATOM 0 HZ3 LYS A 155 -14.227 11.913 10.593 1.00 1.36 H new ATOM 2380 N GLU A 156 -7.857 13.431 8.679 1.00 0.30 N ATOM 2381 CA GLU A 156 -7.376 14.233 7.556 1.00 0.33 C ATOM 2382 C GLU A 156 -7.381 13.410 6.280 1.00 0.28 C ATOM 2383 O GLU A 156 -8.209 13.591 5.379 1.00 0.30 O ATOM 2384 CB GLU A 156 -5.955 14.730 7.819 1.00 0.40 C ATOM 2385 CG GLU A 156 -5.753 15.272 9.218 1.00 1.30 C ATOM 2386 CD GLU A 156 -4.319 15.677 9.477 1.00 1.70 C ATOM 2387 OE1 GLU A 156 -3.932 16.796 9.092 1.00 1.52 O ATOM 2388 OE2 GLU A 156 -3.563 14.861 10.052 1.00 2.48 O ATOM 0 H GLU A 156 -7.188 12.749 9.036 1.00 0.30 H new ATOM 0 HA GLU A 156 -8.043 15.088 7.444 1.00 0.33 H new ATOM 0 HB2 GLU A 156 -5.255 13.911 7.651 1.00 0.40 H new ATOM 0 HB3 GLU A 156 -5.712 15.510 7.097 1.00 0.40 H new ATOM 0 HG2 GLU A 156 -6.404 16.133 9.369 1.00 1.30 H new ATOM 0 HG3 GLU A 156 -6.051 14.516 9.944 1.00 1.30 H new ATOM 2395 N GLY A 157 -6.462 12.468 6.240 1.00 0.29 N ATOM 2396 CA GLY A 157 -6.252 11.683 5.054 1.00 0.28 C ATOM 2397 C GLY A 157 -7.386 10.728 4.739 1.00 0.27 C ATOM 2398 O GLY A 157 -7.357 10.060 3.716 1.00 0.29 O ATOM 0 H GLY A 157 -5.850 12.231 7.021 1.00 0.29 H new ATOM 0 HA2 GLY A 157 -6.110 12.354 4.207 1.00 0.28 H new ATOM 0 HA3 GLY A 157 -5.330 11.112 5.167 1.00 0.28 H new ATOM 2402 N LEU A 158 -8.378 10.644 5.616 1.00 0.26 N ATOM 2403 CA LEU A 158 -9.546 9.821 5.339 1.00 0.28 C ATOM 2404 C LEU A 158 -10.359 10.467 4.236 1.00 0.30 C ATOM 2405 O LEU A 158 -10.910 9.791 3.370 1.00 0.33 O ATOM 2406 CB LEU A 158 -10.404 9.633 6.588 1.00 0.31 C ATOM 2407 CG LEU A 158 -9.849 8.649 7.618 1.00 0.47 C ATOM 2408 CD1 LEU A 158 -10.851 8.427 8.737 1.00 0.73 C ATOM 2409 CD2 LEU A 158 -9.490 7.327 6.954 1.00 0.80 C ATOM 0 H LEU A 158 -8.398 11.129 6.513 1.00 0.26 H new ATOM 0 HA LEU A 158 -9.210 8.834 5.021 1.00 0.28 H new ATOM 0 HB2 LEU A 158 -10.534 10.602 7.069 1.00 0.31 H new ATOM 0 HB3 LEU A 158 -11.394 9.294 6.282 1.00 0.31 H new ATOM 0 HG LEU A 158 -8.943 9.076 8.047 1.00 0.47 H new ATOM 0 HD11 LEU A 158 -10.439 7.724 9.461 1.00 0.73 H new ATOM 0 HD12 LEU A 158 -11.060 9.376 9.232 1.00 0.73 H new ATOM 0 HD13 LEU A 158 -11.775 8.022 8.323 1.00 0.73 H new ATOM 0 HD21 LEU A 158 -9.097 6.639 7.702 1.00 0.80 H new ATOM 0 HD22 LEU A 158 -10.381 6.896 6.497 1.00 0.80 H new ATOM 0 HD23 LEU A 158 -8.735 7.498 6.186 1.00 0.80 H new ATOM 2421 N ASP A 159 -10.398 11.790 4.267 1.00 0.32 N ATOM 2422 CA ASP A 159 -11.018 12.555 3.200 1.00 0.38 C ATOM 2423 C ASP A 159 -10.171 12.428 1.941 1.00 0.32 C ATOM 2424 O ASP A 159 -10.686 12.286 0.832 1.00 0.33 O ATOM 2425 CB ASP A 159 -11.158 14.023 3.614 1.00 0.50 C ATOM 2426 CG ASP A 159 -11.817 14.878 2.549 1.00 1.25 C ATOM 2427 OD1 ASP A 159 -13.064 14.879 2.469 1.00 1.42 O ATOM 2428 OD2 ASP A 159 -11.092 15.573 1.802 1.00 2.20 O ATOM 0 H ASP A 159 -10.007 12.355 5.021 1.00 0.32 H new ATOM 0 HA ASP A 159 -12.016 12.165 3.000 1.00 0.38 H new ATOM 0 HB2 ASP A 159 -11.742 14.082 4.532 1.00 0.50 H new ATOM 0 HB3 ASP A 159 -10.171 14.428 3.838 1.00 0.50 H new ATOM 2433 N HIS A 160 -8.854 12.440 2.132 1.00 0.30 N ATOM 2434 CA HIS A 160 -7.919 12.271 1.023 1.00 0.30 C ATOM 2435 C HIS A 160 -7.924 10.828 0.500 1.00 0.28 C ATOM 2436 O HIS A 160 -7.434 10.555 -0.591 1.00 0.33 O ATOM 2437 CB HIS A 160 -6.506 12.681 1.459 1.00 0.34 C ATOM 2438 CG HIS A 160 -5.460 12.514 0.392 1.00 0.41 C ATOM 2439 ND1 HIS A 160 -5.386 13.309 -0.731 1.00 0.52 N ATOM 2440 CD2 HIS A 160 -4.446 11.624 0.285 1.00 0.46 C ATOM 2441 CE1 HIS A 160 -4.372 12.917 -1.477 1.00 0.58 C ATOM 2442 NE2 HIS A 160 -3.786 11.898 -0.885 1.00 0.54 N ATOM 0 H HIS A 160 -8.411 12.565 3.042 1.00 0.30 H new ATOM 0 HA HIS A 160 -8.241 12.918 0.207 1.00 0.30 H new ATOM 0 HB2 HIS A 160 -6.524 13.724 1.775 1.00 0.34 H new ATOM 0 HB3 HIS A 160 -6.220 12.089 2.329 1.00 0.34 H new ATOM 0 HD1 HIS A 160 -6.017 14.080 -0.951 1.00 0.52 H new ATOM 0 HD2 HIS A 160 -4.202 10.843 0.990 1.00 0.46 H new ATOM 0 HE1 HIS A 160 -4.073 13.358 -2.416 1.00 0.58 H new ATOM 2451 N LEU A 161 -8.493 9.911 1.264 1.00 0.27 N ATOM 2452 CA LEU A 161 -8.502 8.509 0.874 1.00 0.28 C ATOM 2453 C LEU A 161 -9.552 8.293 -0.200 1.00 0.29 C ATOM 2454 O LEU A 161 -9.252 7.822 -1.295 1.00 0.31 O ATOM 2455 CB LEU A 161 -8.800 7.616 2.086 1.00 0.29 C ATOM 2456 CG LEU A 161 -8.048 6.277 2.141 1.00 0.57 C ATOM 2457 CD1 LEU A 161 -8.533 5.448 3.321 1.00 1.15 C ATOM 2458 CD2 LEU A 161 -8.209 5.493 0.847 1.00 1.16 C ATOM 0 H LEU A 161 -8.952 10.109 2.153 1.00 0.27 H new ATOM 0 HA LEU A 161 -7.520 8.242 0.483 1.00 0.28 H new ATOM 0 HB2 LEU A 161 -8.568 8.177 2.991 1.00 0.29 H new ATOM 0 HB3 LEU A 161 -9.870 7.409 2.105 1.00 0.29 H new ATOM 0 HG LEU A 161 -6.988 6.496 2.269 1.00 0.57 H new ATOM 0 HD11 LEU A 161 -7.992 4.502 3.348 1.00 1.15 H new ATOM 0 HD12 LEU A 161 -8.355 5.994 4.247 1.00 1.15 H new ATOM 0 HD13 LEU A 161 -9.600 5.253 3.214 1.00 1.15 H new ATOM 0 HD21 LEU A 161 -7.664 4.552 0.922 1.00 1.16 H new ATOM 0 HD22 LEU A 161 -9.266 5.288 0.675 1.00 1.16 H new ATOM 0 HD23 LEU A 161 -7.813 6.077 0.016 1.00 1.16 H new ATOM 2470 N LEU A 162 -10.778 8.675 0.117 1.00 0.31 N ATOM 2471 CA LEU A 162 -11.900 8.500 -0.789 1.00 0.37 C ATOM 2472 C LEU A 162 -11.721 9.323 -2.062 1.00 0.38 C ATOM 2473 O LEU A 162 -12.238 8.954 -3.110 1.00 0.45 O ATOM 2474 CB LEU A 162 -13.206 8.848 -0.064 1.00 0.47 C ATOM 2475 CG LEU A 162 -13.296 10.248 0.553 1.00 0.85 C ATOM 2476 CD1 LEU A 162 -13.778 11.272 -0.464 1.00 1.49 C ATOM 2477 CD2 LEU A 162 -14.208 10.229 1.768 1.00 1.51 C ATOM 0 H LEU A 162 -11.022 9.113 1.005 1.00 0.31 H new ATOM 0 HA LEU A 162 -11.945 7.456 -1.098 1.00 0.37 H new ATOM 0 HB2 LEU A 162 -14.029 8.733 -0.770 1.00 0.47 H new ATOM 0 HB3 LEU A 162 -13.361 8.116 0.728 1.00 0.47 H new ATOM 0 HG LEU A 162 -12.295 10.543 0.869 1.00 0.85 H new ATOM 0 HD11 LEU A 162 -13.831 12.254 0.006 1.00 1.49 H new ATOM 0 HD12 LEU A 162 -13.082 11.308 -1.302 1.00 1.49 H new ATOM 0 HD13 LEU A 162 -14.767 10.989 -0.825 1.00 1.49 H new ATOM 0 HD21 LEU A 162 -14.263 11.229 2.197 1.00 1.51 H new ATOM 0 HD22 LEU A 162 -15.205 9.907 1.469 1.00 1.51 H new ATOM 0 HD23 LEU A 162 -13.810 9.537 2.511 1.00 1.51 H new ATOM 2489 N GLU A 163 -10.973 10.425 -1.984 1.00 0.37 N ATOM 2490 CA GLU A 163 -10.722 11.232 -3.172 1.00 0.44 C ATOM 2491 C GLU A 163 -9.677 10.568 -4.068 1.00 0.41 C ATOM 2492 O GLU A 163 -9.715 10.716 -5.285 1.00 0.50 O ATOM 2493 CB GLU A 163 -10.283 12.655 -2.811 1.00 0.56 C ATOM 2494 CG GLU A 163 -8.932 12.732 -2.129 1.00 1.03 C ATOM 2495 CD GLU A 163 -8.483 14.152 -1.872 1.00 1.78 C ATOM 2496 OE1 GLU A 163 -9.308 14.963 -1.409 1.00 2.14 O ATOM 2497 OE2 GLU A 163 -7.309 14.465 -2.137 1.00 2.57 O ATOM 0 H GLU A 163 -10.540 10.771 -1.128 1.00 0.37 H new ATOM 0 HA GLU A 163 -11.662 11.302 -3.719 1.00 0.44 H new ATOM 0 HB2 GLU A 163 -10.254 13.256 -3.720 1.00 0.56 H new ATOM 0 HB3 GLU A 163 -11.033 13.100 -2.158 1.00 0.56 H new ATOM 0 HG2 GLU A 163 -8.977 12.194 -1.182 1.00 1.03 H new ATOM 0 HG3 GLU A 163 -8.189 12.228 -2.747 1.00 1.03 H new ATOM 2504 N MET A 164 -8.745 9.828 -3.467 1.00 0.37 N ATOM 2505 CA MET A 164 -7.771 9.067 -4.243 1.00 0.39 C ATOM 2506 C MET A 164 -8.451 7.866 -4.871 1.00 0.37 C ATOM 2507 O MET A 164 -8.182 7.505 -6.017 1.00 0.43 O ATOM 2508 CB MET A 164 -6.593 8.611 -3.381 1.00 0.43 C ATOM 2509 CG MET A 164 -5.668 9.734 -2.933 1.00 0.64 C ATOM 2510 SD MET A 164 -4.912 10.640 -4.305 1.00 0.58 S ATOM 2511 CE MET A 164 -6.162 11.880 -4.642 1.00 0.53 C ATOM 0 H MET A 164 -8.646 9.741 -2.456 1.00 0.37 H new ATOM 0 HA MET A 164 -7.376 9.718 -5.023 1.00 0.39 H new ATOM 0 HB2 MET A 164 -6.980 8.102 -2.498 1.00 0.43 H new ATOM 0 HB3 MET A 164 -6.011 7.879 -3.941 1.00 0.43 H new ATOM 0 HG2 MET A 164 -6.231 10.432 -2.314 1.00 0.64 H new ATOM 0 HG3 MET A 164 -4.880 9.316 -2.306 1.00 0.64 H new ATOM 0 HE1 MET A 164 -6.137 12.144 -5.699 1.00 0.53 H new ATOM 0 HE2 MET A 164 -7.145 11.483 -4.390 1.00 0.53 H new ATOM 0 HE3 MET A 164 -5.965 12.768 -4.042 1.00 0.53 H new ATOM 2521 N ILE A 165 -9.346 7.258 -4.106 1.00 0.34 N ATOM 2522 CA ILE A 165 -10.190 6.189 -4.614 1.00 0.38 C ATOM 2523 C ILE A 165 -11.066 6.724 -5.747 1.00 0.44 C ATOM 2524 O ILE A 165 -11.253 6.072 -6.774 1.00 0.52 O ATOM 2525 CB ILE A 165 -11.096 5.623 -3.503 1.00 0.40 C ATOM 2526 CG1 ILE A 165 -10.256 5.035 -2.368 1.00 0.42 C ATOM 2527 CG2 ILE A 165 -12.033 4.570 -4.066 1.00 0.50 C ATOM 2528 CD1 ILE A 165 -11.084 4.565 -1.190 1.00 0.50 C ATOM 0 H ILE A 165 -9.506 7.489 -3.126 1.00 0.34 H new ATOM 0 HA ILE A 165 -9.545 5.390 -4.980 1.00 0.38 H new ATOM 0 HB ILE A 165 -11.694 6.441 -3.101 1.00 0.40 H new ATOM 0 HG12 ILE A 165 -9.675 4.197 -2.752 1.00 0.42 H new ATOM 0 HG13 ILE A 165 -9.544 5.786 -2.026 1.00 0.42 H new ATOM 0 HG21 ILE A 165 -12.665 4.181 -3.268 1.00 0.50 H new ATOM 0 HG22 ILE A 165 -12.658 5.016 -4.840 1.00 0.50 H new ATOM 0 HG23 ILE A 165 -11.449 3.756 -4.496 1.00 0.50 H new ATOM 0 HD11 ILE A 165 -10.426 4.159 -0.421 1.00 0.50 H new ATOM 0 HD12 ILE A 165 -11.645 5.405 -0.781 1.00 0.50 H new ATOM 0 HD13 ILE A 165 -11.778 3.791 -1.519 1.00 0.50 H new ATOM 2540 N LEU A 166 -11.601 7.921 -5.541 1.00 0.46 N ATOM 2541 CA LEU A 166 -12.412 8.594 -6.543 1.00 0.57 C ATOM 2542 C LEU A 166 -11.586 8.958 -7.763 1.00 0.61 C ATOM 2543 O LEU A 166 -12.077 8.898 -8.880 1.00 0.70 O ATOM 2544 CB LEU A 166 -13.059 9.847 -5.952 1.00 0.66 C ATOM 2545 CG LEU A 166 -13.474 10.896 -6.976 1.00 1.07 C ATOM 2546 CD1 LEU A 166 -14.967 11.169 -6.897 1.00 1.73 C ATOM 2547 CD2 LEU A 166 -12.682 12.177 -6.768 1.00 1.38 C ATOM 0 H LEU A 166 -11.484 8.450 -4.677 1.00 0.46 H new ATOM 0 HA LEU A 166 -13.196 7.905 -6.857 1.00 0.57 H new ATOM 0 HB2 LEU A 166 -13.938 9.550 -5.381 1.00 0.66 H new ATOM 0 HB3 LEU A 166 -12.361 10.302 -5.249 1.00 0.66 H new ATOM 0 HG LEU A 166 -13.255 10.510 -7.972 1.00 1.07 H new ATOM 0 HD11 LEU A 166 -15.239 11.921 -7.638 1.00 1.73 H new ATOM 0 HD12 LEU A 166 -15.516 10.249 -7.096 1.00 1.73 H new ATOM 0 HD13 LEU A 166 -15.218 11.533 -5.901 1.00 1.73 H new ATOM 0 HD21 LEU A 166 -12.988 12.918 -7.506 1.00 1.38 H new ATOM 0 HD22 LEU A 166 -12.871 12.563 -5.766 1.00 1.38 H new ATOM 0 HD23 LEU A 166 -11.618 11.970 -6.882 1.00 1.38 H new ATOM 2559 N LEU A 167 -10.347 9.360 -7.546 1.00 0.56 N ATOM 2560 CA LEU A 167 -9.419 9.604 -8.644 1.00 0.64 C ATOM 2561 C LEU A 167 -9.359 8.375 -9.535 1.00 0.66 C ATOM 2562 O LEU A 167 -9.421 8.465 -10.760 1.00 0.75 O ATOM 2563 CB LEU A 167 -8.023 9.907 -8.103 1.00 0.64 C ATOM 2564 CG LEU A 167 -6.999 10.365 -9.146 1.00 0.81 C ATOM 2565 CD1 LEU A 167 -7.415 11.689 -9.771 1.00 1.47 C ATOM 2566 CD2 LEU A 167 -5.616 10.478 -8.523 1.00 1.51 C ATOM 0 H LEU A 167 -9.956 9.526 -6.619 1.00 0.56 H new ATOM 0 HA LEU A 167 -9.769 10.462 -9.218 1.00 0.64 H new ATOM 0 HB2 LEU A 167 -8.108 10.679 -7.339 1.00 0.64 H new ATOM 0 HB3 LEU A 167 -7.640 9.013 -7.611 1.00 0.64 H new ATOM 0 HG LEU A 167 -6.961 9.615 -9.936 1.00 0.81 H new ATOM 0 HD11 LEU A 167 -6.672 11.993 -10.508 1.00 1.47 H new ATOM 0 HD12 LEU A 167 -8.383 11.573 -10.258 1.00 1.47 H new ATOM 0 HD13 LEU A 167 -7.488 12.451 -8.995 1.00 1.47 H new ATOM 0 HD21 LEU A 167 -4.902 10.804 -9.279 1.00 1.51 H new ATOM 0 HD22 LEU A 167 -5.641 11.204 -7.710 1.00 1.51 H new ATOM 0 HD23 LEU A 167 -5.312 9.507 -8.133 1.00 1.51 H new ATOM 2578 N VAL A 168 -9.260 7.225 -8.892 1.00 0.61 N ATOM 2579 CA VAL A 168 -9.284 5.955 -9.581 1.00 0.69 C ATOM 2580 C VAL A 168 -10.655 5.711 -10.215 1.00 0.77 C ATOM 2581 O VAL A 168 -10.740 5.329 -11.381 1.00 0.89 O ATOM 2582 CB VAL A 168 -8.932 4.804 -8.620 1.00 0.68 C ATOM 2583 CG1 VAL A 168 -9.040 3.470 -9.328 1.00 0.84 C ATOM 2584 CG2 VAL A 168 -7.535 4.994 -8.050 1.00 0.66 C ATOM 0 H VAL A 168 -9.161 7.149 -7.880 1.00 0.61 H new ATOM 0 HA VAL A 168 -8.534 5.987 -10.372 1.00 0.69 H new ATOM 0 HB VAL A 168 -9.644 4.814 -7.795 1.00 0.68 H new ATOM 0 HG11 VAL A 168 -8.788 2.668 -8.634 1.00 0.84 H new ATOM 0 HG12 VAL A 168 -10.059 3.331 -9.688 1.00 0.84 H new ATOM 0 HG13 VAL A 168 -8.351 3.449 -10.172 1.00 0.84 H new ATOM 0 HG21 VAL A 168 -7.303 4.172 -7.373 1.00 0.66 H new ATOM 0 HG22 VAL A 168 -6.809 5.010 -8.863 1.00 0.66 H new ATOM 0 HG23 VAL A 168 -7.490 5.937 -7.504 1.00 0.66 H new ATOM 2594 N SER A 169 -11.725 5.950 -9.453 1.00 0.74 N ATOM 2595 CA SER A 169 -13.081 5.792 -9.972 1.00 0.87 C ATOM 2596 C SER A 169 -13.321 6.696 -11.190 1.00 0.96 C ATOM 2597 O SER A 169 -14.009 6.313 -12.135 1.00 1.12 O ATOM 2598 CB SER A 169 -14.098 6.108 -8.872 1.00 0.88 C ATOM 2599 OG SER A 169 -13.855 5.318 -7.718 1.00 1.35 O ATOM 0 H SER A 169 -11.677 6.252 -8.480 1.00 0.74 H new ATOM 0 HA SER A 169 -13.205 4.758 -10.293 1.00 0.87 H new ATOM 0 HB2 SER A 169 -14.043 7.165 -8.613 1.00 0.88 H new ATOM 0 HB3 SER A 169 -15.107 5.922 -9.239 1.00 0.88 H new ATOM 0 HG SER A 169 -13.042 5.633 -7.271 1.00 1.35 H new ATOM 2605 N GLU A 170 -12.748 7.892 -11.154 1.00 0.96 N ATOM 2606 CA GLU A 170 -12.878 8.855 -12.242 1.00 1.11 C ATOM 2607 C GLU A 170 -12.055 8.403 -13.445 1.00 1.17 C ATOM 2608 O GLU A 170 -12.516 8.454 -14.587 1.00 1.37 O ATOM 2609 CB GLU A 170 -12.410 10.237 -11.765 1.00 1.26 C ATOM 2610 CG GLU A 170 -12.607 11.359 -12.774 1.00 1.84 C ATOM 2611 CD GLU A 170 -14.069 11.656 -13.048 1.00 2.19 C ATOM 2612 OE1 GLU A 170 -14.851 11.774 -12.082 1.00 2.73 O ATOM 2613 OE2 GLU A 170 -14.440 11.798 -14.232 1.00 2.56 O ATOM 0 H GLU A 170 -12.181 8.222 -10.373 1.00 0.96 H new ATOM 0 HA GLU A 170 -13.924 8.918 -12.543 1.00 1.11 H new ATOM 0 HB2 GLU A 170 -12.946 10.491 -10.850 1.00 1.26 H new ATOM 0 HB3 GLU A 170 -11.352 10.179 -11.509 1.00 1.26 H new ATOM 0 HG2 GLU A 170 -12.121 12.262 -12.405 1.00 1.84 H new ATOM 0 HG3 GLU A 170 -12.114 11.091 -13.709 1.00 1.84 H new ATOM 2620 N MET A 171 -10.844 7.932 -13.171 1.00 1.11 N ATOM 2621 CA MET A 171 -9.925 7.511 -14.219 1.00 1.28 C ATOM 2622 C MET A 171 -10.360 6.179 -14.827 1.00 1.54 C ATOM 2623 O MET A 171 -9.838 5.766 -15.857 1.00 1.88 O ATOM 2624 CB MET A 171 -8.501 7.393 -13.674 1.00 1.31 C ATOM 2625 CG MET A 171 -7.438 7.324 -14.762 1.00 1.43 C ATOM 2626 SD MET A 171 -5.796 6.936 -14.124 1.00 1.66 S ATOM 2627 CE MET A 171 -6.048 5.250 -13.574 1.00 1.68 C ATOM 0 H MET A 171 -10.475 7.832 -12.225 1.00 1.11 H new ATOM 0 HA MET A 171 -9.943 8.271 -15.000 1.00 1.28 H new ATOM 0 HB2 MET A 171 -8.295 8.248 -13.030 1.00 1.31 H new ATOM 0 HB3 MET A 171 -8.431 6.501 -13.052 1.00 1.31 H new ATOM 0 HG2 MET A 171 -7.724 6.569 -15.494 1.00 1.43 H new ATOM 0 HG3 MET A 171 -7.401 8.279 -15.287 1.00 1.43 H new ATOM 0 HE1 MET A 171 -5.088 4.737 -13.521 1.00 1.68 H new ATOM 0 HE2 MET A 171 -6.512 5.255 -12.588 1.00 1.68 H new ATOM 0 HE3 MET A 171 -6.698 4.731 -14.278 1.00 1.68 H new ATOM 2637 N GLU A 172 -11.314 5.511 -14.189 1.00 1.62 N ATOM 2638 CA GLU A 172 -11.823 4.238 -14.691 1.00 2.07 C ATOM 2639 C GLU A 172 -12.383 4.385 -16.104 1.00 2.05 C ATOM 2640 O GLU A 172 -12.378 3.439 -16.888 1.00 2.58 O ATOM 2641 CB GLU A 172 -12.898 3.678 -13.759 1.00 2.47 C ATOM 2642 CG GLU A 172 -12.546 2.314 -13.184 1.00 3.01 C ATOM 2643 CD GLU A 172 -12.254 1.289 -14.262 1.00 3.71 C ATOM 2644 OE1 GLU A 172 -13.212 0.712 -14.817 1.00 4.04 O ATOM 2645 OE2 GLU A 172 -11.064 1.042 -14.545 1.00 4.27 O ATOM 0 H GLU A 172 -11.751 5.828 -13.324 1.00 1.62 H new ATOM 0 HA GLU A 172 -10.987 3.540 -14.724 1.00 2.07 H new ATOM 0 HB2 GLU A 172 -13.060 4.379 -12.940 1.00 2.47 H new ATOM 0 HB3 GLU A 172 -13.839 3.603 -14.305 1.00 2.47 H new ATOM 0 HG2 GLU A 172 -11.677 2.411 -12.534 1.00 3.01 H new ATOM 0 HG3 GLU A 172 -13.370 1.961 -12.564 1.00 3.01 H new ATOM 2652 N GLU A 173 -12.867 5.577 -16.429 1.00 1.85 N ATOM 2653 CA GLU A 173 -13.344 5.861 -17.775 1.00 2.28 C ATOM 2654 C GLU A 173 -12.399 6.810 -18.507 1.00 2.77 C ATOM 2655 O GLU A 173 -12.579 7.084 -19.693 1.00 3.47 O ATOM 2656 CB GLU A 173 -14.749 6.459 -17.728 1.00 2.50 C ATOM 2657 CG GLU A 173 -15.842 5.435 -17.463 1.00 2.86 C ATOM 2658 CD GLU A 173 -15.923 4.390 -18.557 1.00 3.41 C ATOM 2659 OE1 GLU A 173 -16.327 4.738 -19.688 1.00 3.82 O ATOM 2660 OE2 GLU A 173 -15.562 3.224 -18.303 1.00 3.91 O ATOM 0 H GLU A 173 -12.939 6.361 -15.780 1.00 1.85 H new ATOM 0 HA GLU A 173 -13.375 4.919 -18.323 1.00 2.28 H new ATOM 0 HB2 GLU A 173 -14.783 7.223 -16.951 1.00 2.50 H new ATOM 0 HB3 GLU A 173 -14.953 6.958 -18.675 1.00 2.50 H new ATOM 0 HG2 GLU A 173 -15.655 4.945 -16.508 1.00 2.86 H new ATOM 0 HG3 GLU A 173 -16.802 5.944 -17.377 1.00 2.86 H new ATOM 2667 N LEU A 174 -11.386 7.294 -17.800 1.00 2.83 N ATOM 2668 CA LEU A 174 -10.459 8.290 -18.351 1.00 3.69 C ATOM 2669 C LEU A 174 -9.010 7.847 -18.167 1.00 3.89 C ATOM 2670 O LEU A 174 -8.140 8.649 -17.826 1.00 4.73 O ATOM 2671 CB LEU A 174 -10.661 9.665 -17.688 1.00 4.31 C ATOM 2672 CG LEU A 174 -11.901 10.461 -18.126 1.00 4.98 C ATOM 2673 CD1 LEU A 174 -13.173 9.888 -17.520 1.00 5.48 C ATOM 2674 CD2 LEU A 174 -11.753 11.925 -17.743 1.00 5.72 C ATOM 0 H LEU A 174 -11.180 7.016 -16.841 1.00 2.83 H new ATOM 0 HA LEU A 174 -10.674 8.377 -19.416 1.00 3.69 H new ATOM 0 HB2 LEU A 174 -10.712 9.519 -16.609 1.00 4.31 H new ATOM 0 HB3 LEU A 174 -9.778 10.272 -17.886 1.00 4.31 H new ATOM 0 HG LEU A 174 -11.980 10.382 -19.210 1.00 4.98 H new ATOM 0 HD11 LEU A 174 -14.030 10.475 -17.851 1.00 5.48 H new ATOM 0 HD12 LEU A 174 -13.296 8.854 -17.842 1.00 5.48 H new ATOM 0 HD13 LEU A 174 -13.106 9.924 -16.433 1.00 5.48 H new ATOM 0 HD21 LEU A 174 -12.639 12.475 -18.060 1.00 5.72 H new ATOM 0 HD22 LEU A 174 -11.641 12.009 -16.662 1.00 5.72 H new ATOM 0 HD23 LEU A 174 -10.873 12.342 -18.232 1.00 5.72 H new ATOM 2686 N LYS A 175 -8.751 6.569 -18.392 1.00 3.42 N ATOM 2687 CA LYS A 175 -7.413 6.023 -18.231 1.00 3.88 C ATOM 2688 C LYS A 175 -6.693 5.980 -19.569 1.00 4.00 C ATOM 2689 O LYS A 175 -7.276 5.602 -20.587 1.00 4.36 O ATOM 2690 CB LYS A 175 -7.472 4.629 -17.599 1.00 4.27 C ATOM 2691 CG LYS A 175 -8.349 3.641 -18.352 1.00 4.29 C ATOM 2692 CD LYS A 175 -9.229 2.859 -17.393 1.00 4.24 C ATOM 2693 CE LYS A 175 -9.988 1.740 -18.094 1.00 4.99 C ATOM 2694 NZ LYS A 175 -11.001 1.127 -17.197 1.00 5.49 N ATOM 0 H LYS A 175 -9.451 5.889 -18.687 1.00 3.42 H new ATOM 0 HA LYS A 175 -6.852 6.675 -17.561 1.00 3.88 H new ATOM 0 HB2 LYS A 175 -6.461 4.227 -17.538 1.00 4.27 H new ATOM 0 HB3 LYS A 175 -7.841 4.721 -16.578 1.00 4.27 H new ATOM 0 HG2 LYS A 175 -8.971 4.175 -19.070 1.00 4.29 H new ATOM 0 HG3 LYS A 175 -7.723 2.953 -18.921 1.00 4.29 H new ATOM 0 HD2 LYS A 175 -8.613 2.437 -16.599 1.00 4.24 H new ATOM 0 HD3 LYS A 175 -9.939 3.537 -16.919 1.00 4.24 H new ATOM 0 HE2 LYS A 175 -10.479 2.133 -18.984 1.00 4.99 H new ATOM 0 HE3 LYS A 175 -9.286 0.976 -18.428 1.00 4.99 H new ATOM 0 HZ1 LYS A 175 -11.231 0.171 -17.535 1.00 5.49 H new ATOM 0 HZ2 LYS A 175 -10.620 1.070 -16.231 1.00 5.49 H new ATOM 0 HZ3 LYS A 175 -11.862 1.710 -17.196 1.00 5.49 H new ATOM 2708 N ALA A 176 -5.437 6.387 -19.566 1.00 4.26 N ATOM 2709 CA ALA A 176 -4.630 6.382 -20.772 1.00 4.89 C ATOM 2710 C ALA A 176 -3.523 5.345 -20.663 1.00 5.36 C ATOM 2711 O ALA A 176 -2.928 5.181 -19.597 1.00 5.78 O ATOM 2712 CB ALA A 176 -4.040 7.762 -21.022 1.00 5.48 C ATOM 0 H ALA A 176 -4.951 6.727 -18.736 1.00 4.26 H new ATOM 0 HA ALA A 176 -5.269 6.121 -21.615 1.00 4.89 H new ATOM 0 HB1 ALA A 176 -3.438 7.741 -21.930 1.00 5.48 H new ATOM 0 HB2 ALA A 176 -4.846 8.487 -21.138 1.00 5.48 H new ATOM 0 HB3 ALA A 176 -3.413 8.048 -20.177 1.00 5.48 H new ATOM 2718 N ASN A 177 -3.268 4.643 -21.765 1.00 5.66 N ATOM 2719 CA ASN A 177 -2.230 3.609 -21.821 1.00 6.40 C ATOM 2720 C ASN A 177 -2.506 2.508 -20.801 1.00 6.79 C ATOM 2721 O ASN A 177 -1.888 2.463 -19.736 1.00 6.94 O ATOM 2722 CB ASN A 177 -0.835 4.205 -21.579 1.00 6.79 C ATOM 2723 CG ASN A 177 -0.471 5.287 -22.577 1.00 7.41 C ATOM 2724 OD1 ASN A 177 -0.894 5.259 -23.734 1.00 7.72 O ATOM 2725 ND2 ASN A 177 0.320 6.251 -22.138 1.00 7.88 N ATOM 0 H ASN A 177 -3.771 4.772 -22.643 1.00 5.66 H new ATOM 0 HA ASN A 177 -2.252 3.178 -22.822 1.00 6.40 H new ATOM 0 HB2 ASN A 177 -0.793 4.619 -20.571 1.00 6.79 H new ATOM 0 HB3 ASN A 177 -0.092 3.409 -21.628 1.00 6.79 H new ATOM 0 HD21 ASN A 177 0.600 7.006 -22.764 1.00 7.88 H new ATOM 0 HD22 ASN A 177 0.650 6.240 -21.173 1.00 7.88 H new ATOM 2732 N PRO A 178 -3.450 1.609 -21.108 1.00 7.29 N ATOM 2733 CA PRO A 178 -3.794 0.503 -20.235 1.00 8.00 C ATOM 2734 C PRO A 178 -2.964 -0.741 -20.544 1.00 8.71 C ATOM 2735 O PRO A 178 -1.814 -0.831 -20.052 1.00 9.19 O ATOM 2736 CB PRO A 178 -5.279 0.265 -20.548 1.00 8.54 C ATOM 2737 CG PRO A 178 -5.563 0.982 -21.842 1.00 8.16 C ATOM 2738 CD PRO A 178 -4.266 1.588 -22.321 1.00 7.54 C ATOM 2739 OXT PRO A 178 -3.450 -1.613 -21.291 1.00 9.00 O ATOM 0 HA PRO A 178 -3.600 0.719 -19.184 1.00 8.00 H new ATOM 0 HB2 PRO A 178 -5.490 -0.800 -20.640 1.00 8.54 H new ATOM 0 HB3 PRO A 178 -5.911 0.647 -19.746 1.00 8.54 H new ATOM 0 HG2 PRO A 178 -5.960 0.290 -22.585 1.00 8.16 H new ATOM 0 HG3 PRO A 178 -6.316 1.756 -21.694 1.00 8.16 H new ATOM 0 HD2 PRO A 178 -3.806 0.989 -23.107 1.00 7.54 H new ATOM 0 HD3 PRO A 178 -4.413 2.589 -22.727 1.00 7.54 H new TER 2747 PRO A 178 HETATM 2748 PB GDP A 179 -8.496 -3.163 15.935 1.00 0.68 P HETATM 2749 O1B GDP A 179 -7.445 -2.460 15.118 1.00 1.61 O HETATM 2750 O2B GDP A 179 -8.089 -4.560 16.385 1.00 1.63 O HETATM 2751 O3B GDP A 179 -9.918 -3.095 15.364 1.00 1.65 O HETATM 2752 O3A GDP A 179 -8.572 -2.297 17.362 1.00 0.68 O HETATM 2753 PA GDP A 179 -9.500 -1.114 17.827 1.00 0.75 P HETATM 2754 O1A GDP A 179 -10.015 -1.336 19.200 1.00 0.87 O HETATM 2755 O2A GDP A 179 -10.512 -0.686 16.772 1.00 0.88 O HETATM 2756 O5' GDP A 179 -8.425 0.083 17.891 1.00 0.69 O HETATM 2757 C5' GDP A 179 -7.022 -0.190 17.798 1.00 0.65 C HETATM 2758 C4' GDP A 179 -6.199 1.077 17.931 1.00 0.66 C HETATM 2759 O4' GDP A 179 -5.827 1.568 16.621 1.00 0.63 O HETATM 2760 C3' GDP A 179 -6.882 2.285 18.555 1.00 0.75 C HETATM 2761 O3' GDP A 179 -6.806 2.243 19.974 1.00 0.96 O HETATM 2762 C2' GDP A 179 -6.107 3.480 17.991 1.00 0.75 C HETATM 2763 O2' GDP A 179 -5.176 3.977 18.928 1.00 0.95 O HETATM 2764 C1' GDP A 179 -5.336 2.880 16.806 1.00 0.62 C HETATM 2765 N9 GDP A 179 -5.474 3.634 15.561 1.00 0.55 N HETATM 2766 C8 GDP A 179 -6.240 3.300 14.472 1.00 0.62 C HETATM 2767 N7 GDP A 179 -6.158 4.156 13.493 1.00 0.61 N HETATM 2768 C5 GDP A 179 -5.280 5.125 13.960 1.00 0.49 C HETATM 2769 C6 GDP A 179 -4.805 6.306 13.334 1.00 0.45 C HETATM 2770 O6 GDP A 179 -5.081 6.748 12.210 1.00 0.55 O HETATM 2771 N1 GDP A 179 -3.928 7.009 14.149 1.00 0.37 N HETATM 2772 C2 GDP A 179 -3.561 6.617 15.418 1.00 0.40 C HETATM 2773 N2 GDP A 179 -2.721 7.436 16.067 1.00 0.46 N HETATM 2774 N3 GDP A 179 -3.997 5.517 16.014 1.00 0.45 N HETATM 2775 C4 GDP A 179 -4.849 4.819 15.236 1.00 0.46 C HETATM 0 HO3' GDP A 179 -7.251 3.032 20.349 1.00 0.96 H new HETATM 0 HO2' GDP A 179 -5.284 3.503 19.779 1.00 0.95 H new HETATM 0 HN22 GDP A 179 -2.410 7.204 17.010 1.00 0.46 H new HETATM 0 HN21 GDP A 179 -2.393 8.291 15.617 1.00 0.46 H new HETATM 0 H5'' GDP A 179 -6.735 -0.895 18.578 1.00 0.65 H new HETATM 0 HN1 GDP A 179 -3.529 7.874 13.784 1.00 0.37 H new HETATM 0 H8 GDP A 179 -6.858 2.403 14.430 1.00 0.62 H new HETATM 0 H5' GDP A 179 -6.806 -0.667 16.842 1.00 0.65 H new HETATM 0 H4' GDP A 179 -5.385 0.747 18.577 1.00 0.66 H new HETATM 0 H3' GDP A 179 -7.946 2.331 18.323 1.00 0.75 H new HETATM 0 H2' GDP A 179 -6.768 4.306 17.728 1.00 0.75 H new HETATM 0 H1' GDP A 179 -4.273 2.905 17.044 1.00 0.62 H new