USER MOD reduce.3.24.130724 H: found=0, std=0, add=1450, rem=0, adj=62 USER MOD reduce.3.24.130724 removed 1453 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 75 TYR OH : rot -146:sc= -3.73! USER MOD Set 1.2: B 77 TYR OH : rot 180:sc= 0.00568 USER MOD Set 2.1: B 53 THR OG1 : rot 59:sc= -1.18 USER MOD Set 2.2: B 55 HIS : no HE2:sc= -4.55! C(o=-7!,f=-12!) USER MOD Set 2.3: B 88 SER OG : rot -159:sc= -1.24 USER MOD Set 3.1: B 14 SER OG : rot 180:sc= 0 USER MOD Set 3.2: B 17 MET CE :methyl -149:sc= 0 (180deg=-0.848) USER MOD Set 4.1: B 13 MET CE :methyl 152:sc= -4.16! (180deg=-4.6!) USER MOD Set 4.2: B 72 HIS : no HD1:sc= -6.07! C(o=-10!,f=-10!) USER MOD Set 5.1: A 67 THR OG1 : rot -139:sc= 0.472 USER MOD Set 5.2: B 43 LYS NZ :NH3+ 178:sc= 0.323 (180deg=-0.485) USER MOD Set 6.1: A 24 CYS SG : rot 160:sc= -1.16 USER MOD Set 6.2: A 41 HIS : no HE2:sc= -10.6! C(o=-12!,f=-17!) USER MOD Set 7.1: A 14 SER OG : rot 180:sc= 0 USER MOD Set 7.2: A 17 MET CE :methyl -120:sc= -0.0444 (180deg=-2.21) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -0.269 K(o=-0.27,f=-1.8) USER MOD Single : A 13 MET CE :methyl -124:sc= -1.7 (180deg=-3.01!) USER MOD Single : A 18 GLN :FLIP amide:sc= -1.44 F(o=-2.5!,f=-1.4) USER MOD Single : A 19 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 21 SER OG : rot -169:sc= -0.0364 USER MOD Single : A 26 THR OG1 : rot 66:sc= 0.565 USER MOD Single : A 27 GLN : amide:sc= -1.14 K(o=-1.1,f=-3.8!) USER MOD Single : A 31 LYS NZ :NH3+ -127:sc= -1.78 (180deg=-4.61!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.706 X(o=-0.71,f=-0.69) USER MOD Single : A 36 LYS NZ :NH3+ 162:sc= -0.0834 (180deg=-0.372) USER MOD Single : A 43 LYS NZ :NH3+ -174:sc= -0.146 (180deg=-0.214) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -1.81 K(o=-1.8,f=-2.8!) USER MOD Single : A 53 THR OG1 : rot -120:sc= -0.28 USER MOD Single : A 55 HIS : no HD1:sc= -3.48! C(o=-3.5!,f=-4!) USER MOD Single : A 56 CYS SG : rot 35:sc= -1.77 USER MOD Single : A 61 ASN :FLIP amide:sc= -0.233 F(o=-1.9,f=-0.23) USER MOD Single : A 64 SER OG : rot -30:sc= -0.569 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= -4.03 K(o=-4,f=-6!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HD1:sc= -5.26! C(o=-5.3!,f=-6!) USER MOD Single : A 75 TYR OH : rot -30:sc= -5.38! USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= -1.72! C(o=-1.7!,f=-2.1!) USER MOD Single : A 87 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.136) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : B 9 LYS NZ :NH3+ 169:sc= 0.363 (180deg=0.177) USER MOD Single : B 10 ASN :FLIP amide:sc=-0.00343 F(o=-0.85,f=-0.0034) USER MOD Single : B 18 GLN :FLIP amide:sc= -2.12 F(o=-3.6!,f=-2.1) USER MOD Single : B 19 GLN :FLIP amide:sc= -0.792 F(o=-2,f=-0.79) USER MOD Single : B 21 SER OG : rot 62:sc= 0.652 USER MOD Single : B 24 CYS SG : rot 150:sc= -1.25 USER MOD Single : B 26 THR OG1 : rot 62:sc= 0.351 USER MOD Single : B 27 GLN : amide:sc= -0.11 X(o=-0.11,f=-0.11) USER MOD Single : B 31 LYS NZ :NH3+ 162:sc= -0.0922 (180deg=-0.602) USER MOD Single : B 32 TYR OH : rot 180:sc= 0 USER MOD Single : B 33 ASN : amide:sc= -0.665 X(o=-0.67,f=-0.63) USER MOD Single : B 36 LYS NZ :NH3+ -137:sc= -2.39! (180deg=-5.06!) USER MOD Single : B 41 HIS :FLIP no HD1:sc= -16.2! C(o=-19!,f=-16!) USER MOD Single : B 44 LYS NZ :NH3+ 135:sc= -1.72 (180deg=-3.82!) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 49 LYS NZ :NH3+ 136:sc= -1.39 (180deg=-1.64) USER MOD Single : B 50 TYR OH : rot 180:sc= 0 USER MOD Single : B 51 ASN : amide:sc= -1.76 K(o=-1.8,f=-7.2!) USER MOD Single : B 56 CYS SG : rot 40:sc= -0.514 USER MOD Single : B 61 ASN : amide:sc= -0.0659 K(o=-0.066,f=-3.8!) USER MOD Single : B 64 SER OG : rot 115:sc= 0.353 USER MOD Single : B 65 TYR OH : rot 121:sc= 0.675 USER MOD Single : B 67 THR OG1 : rot 180:sc= 0 USER MOD Single : B 68 HIS : no HE2:sc= -3.67! C(o=-3.7!,f=-5.2!) USER MOD Single : B 70 THR OG1 : rot 180:sc= 0 USER MOD Single : B 71 LYS NZ :NH3+ -164:sc= -0.101 (180deg=-0.452) USER MOD Single : B 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 87 LYS NZ :NH3+ -115:sc= 0.126 (180deg=-1.01) USER MOD Single : C 1 MET CE :methyl -159:sc= -0.188 (180deg=-0.833) USER MOD Single : C 1 MET N :NH3+ -157:sc= -2.83! (180deg=-4.22!) USER MOD Single : C 2 LYS NZ :NH3+ -167:sc= -0.044 (180deg=-0.225) USER MOD Single : C 4 THR OG1 : rot 111:sc= 0.639 USER MOD Single : C 7 GLN : amide:sc= -2.51! C(o=-2.5!,f=-2.1!) USER MOD Single : D 4 THR OG1 : rot 111:sc= 0.992 USER MOD Single : D 7 GLN :FLIP amide:sc= -0.051 F(o=-0.92,f=-0.051) USER MOD ----------------------------------------------------------------- ATOM 89 N ALA A 6 -13.443 -6.225 -13.693 1.00 0.00 N ATOM 90 CA ALA A 6 -12.644 -6.275 -12.472 1.00 0.00 C ATOM 91 C ALA A 6 -12.752 -7.647 -11.814 1.00 0.00 C ATOM 92 O ALA A 6 -13.845 -8.089 -11.462 1.00 0.00 O ATOM 93 CB ALA A 6 -13.094 -5.189 -11.506 1.00 0.00 C ATOM 0 HA ALA A 6 -11.600 -6.102 -12.735 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -12.491 -5.236 -10.599 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -12.971 -4.212 -11.974 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -14.143 -5.340 -11.252 1.00 0.00 H new ATOM 99 N VAL A 7 -11.619 -8.324 -11.652 1.00 0.00 N ATOM 100 CA VAL A 7 -11.614 -9.640 -11.044 1.00 0.00 C ATOM 101 C VAL A 7 -11.295 -9.578 -9.557 1.00 0.00 C ATOM 102 O VAL A 7 -10.383 -8.870 -9.131 1.00 0.00 O ATOM 103 CB VAL A 7 -10.608 -10.568 -11.728 1.00 0.00 C ATOM 104 CG1 VAL A 7 -11.012 -10.827 -13.172 1.00 0.00 C ATOM 105 CG2 VAL A 7 -9.202 -9.994 -11.651 1.00 0.00 C ATOM 0 H VAL A 7 -10.700 -7.981 -11.933 1.00 0.00 H new ATOM 0 HA VAL A 7 -12.620 -10.039 -11.173 1.00 0.00 H new ATOM 0 HB VAL A 7 -10.610 -11.521 -11.199 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -10.284 -11.489 -13.640 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -11.996 -11.295 -13.196 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -11.046 -9.883 -13.715 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -8.505 -10.672 -12.144 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -9.177 -9.024 -12.147 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -8.914 -9.875 -10.606 1.00 0.00 H new ATOM 115 N ILE A 8 -12.049 -10.342 -8.778 1.00 0.00 N ATOM 116 CA ILE A 8 -11.859 -10.400 -7.333 1.00 0.00 C ATOM 117 C ILE A 8 -10.978 -11.585 -6.953 1.00 0.00 C ATOM 118 O ILE A 8 -11.016 -12.630 -7.601 1.00 0.00 O ATOM 119 CB ILE A 8 -13.207 -10.500 -6.584 1.00 0.00 C ATOM 120 CG1 ILE A 8 -14.066 -9.261 -6.849 1.00 0.00 C ATOM 121 CG2 ILE A 8 -12.979 -10.672 -5.087 1.00 0.00 C ATOM 122 CD1 ILE A 8 -14.488 -9.104 -8.294 1.00 0.00 C ATOM 0 H ILE A 8 -12.803 -10.934 -9.125 1.00 0.00 H new ATOM 0 HA ILE A 8 -11.368 -9.473 -7.036 1.00 0.00 H new ATOM 0 HB ILE A 8 -13.737 -11.376 -6.957 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -14.958 -9.309 -6.224 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -13.510 -8.374 -6.545 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -13.940 -10.740 -4.578 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -12.408 -11.583 -4.908 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -12.425 -9.816 -4.703 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -15.093 -8.204 -8.401 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -13.603 -9.023 -8.925 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -15.072 -9.972 -8.599 1.00 0.00 H new ATOM 134 N LYS A 9 -10.183 -11.418 -5.900 1.00 0.00 N ATOM 135 CA LYS A 9 -9.294 -12.481 -5.444 1.00 0.00 C ATOM 136 C LYS A 9 -9.304 -12.605 -3.924 1.00 0.00 C ATOM 137 O LYS A 9 -9.371 -13.710 -3.385 1.00 0.00 O ATOM 138 CB LYS A 9 -7.868 -12.227 -5.936 1.00 0.00 C ATOM 139 CG LYS A 9 -7.733 -12.251 -7.450 1.00 0.00 C ATOM 140 CD LYS A 9 -8.125 -13.603 -8.024 1.00 0.00 C ATOM 141 CE LYS A 9 -7.246 -14.718 -7.480 1.00 0.00 C ATOM 142 NZ LYS A 9 -7.615 -16.045 -8.045 1.00 0.00 N ATOM 0 H LYS A 9 -10.136 -10.561 -5.349 1.00 0.00 H new ATOM 0 HA LYS A 9 -9.659 -13.419 -5.862 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -7.532 -11.259 -5.565 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -7.206 -12.980 -5.509 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -8.362 -11.474 -7.885 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -6.704 -12.021 -7.728 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -9.168 -13.812 -7.785 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -8.046 -13.574 -9.111 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -6.203 -14.503 -7.711 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -7.332 -14.750 -6.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -6.992 -16.777 -7.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -8.603 -16.263 -7.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -7.509 -16.024 -9.079 1.00 0.00 H new ATOM 156 N ASN A 10 -9.229 -11.471 -3.232 1.00 0.00 N ATOM 157 CA ASN A 10 -9.222 -11.475 -1.772 1.00 0.00 C ATOM 158 C ASN A 10 -10.520 -10.904 -1.210 1.00 0.00 C ATOM 159 O ASN A 10 -10.500 -10.027 -0.345 1.00 0.00 O ATOM 160 CB ASN A 10 -8.029 -10.678 -1.241 1.00 0.00 C ATOM 161 CG ASN A 10 -6.710 -11.163 -1.809 1.00 0.00 C ATOM 162 OD1 ASN A 10 -6.500 -11.148 -3.023 1.00 0.00 O ATOM 163 ND2 ASN A 10 -5.811 -11.596 -0.934 1.00 0.00 N ATOM 0 H ASN A 10 -9.173 -10.544 -3.655 1.00 0.00 H new ATOM 0 HA ASN A 10 -9.134 -12.511 -1.444 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -8.161 -9.624 -1.486 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -8.002 -10.751 -0.154 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -4.905 -11.934 -1.259 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -6.026 -11.591 0.063 1.00 0.00 H new ATOM 170 N ALA A 11 -11.650 -11.401 -1.702 1.00 0.00 N ATOM 171 CA ALA A 11 -12.951 -10.932 -1.238 1.00 0.00 C ATOM 172 C ALA A 11 -13.093 -11.126 0.269 1.00 0.00 C ATOM 173 O ALA A 11 -12.926 -12.233 0.779 1.00 0.00 O ATOM 174 CB ALA A 11 -14.068 -11.657 -1.973 1.00 0.00 C ATOM 0 H ALA A 11 -11.692 -12.125 -2.419 1.00 0.00 H new ATOM 0 HA ALA A 11 -13.025 -9.866 -1.453 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -15.033 -11.296 -1.616 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -13.983 -11.467 -3.043 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -13.990 -12.728 -1.788 1.00 0.00 H new ATOM 180 N ASP A 12 -13.402 -10.040 0.971 1.00 0.00 N ATOM 181 CA ASP A 12 -13.567 -10.075 2.422 1.00 0.00 C ATOM 182 C ASP A 12 -14.342 -8.855 2.906 1.00 0.00 C ATOM 183 O ASP A 12 -13.899 -8.137 3.802 1.00 0.00 O ATOM 184 CB ASP A 12 -12.202 -10.134 3.116 1.00 0.00 C ATOM 185 CG ASP A 12 -11.451 -11.417 2.819 1.00 0.00 C ATOM 186 OD1 ASP A 12 -11.960 -12.499 3.180 1.00 0.00 O ATOM 187 OD2 ASP A 12 -10.358 -11.342 2.222 1.00 0.00 O ATOM 0 H ASP A 12 -13.544 -9.119 0.556 1.00 0.00 H new ATOM 0 HA ASP A 12 -14.132 -10.972 2.676 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -11.600 -9.283 2.798 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -12.342 -10.040 4.193 1.00 0.00 H new ATOM 192 N MET A 13 -15.503 -8.625 2.302 1.00 0.00 N ATOM 193 CA MET A 13 -16.340 -7.489 2.666 1.00 0.00 C ATOM 194 C MET A 13 -17.711 -7.594 2.005 1.00 0.00 C ATOM 195 O MET A 13 -17.873 -8.280 0.995 1.00 0.00 O ATOM 196 CB MET A 13 -15.662 -6.179 2.261 1.00 0.00 C ATOM 197 CG MET A 13 -16.437 -4.940 2.675 1.00 0.00 C ATOM 198 SD MET A 13 -15.604 -3.412 2.203 1.00 0.00 S ATOM 199 CE MET A 13 -14.059 -3.581 3.095 1.00 0.00 C ATOM 0 H MET A 13 -15.885 -9.210 1.559 1.00 0.00 H new ATOM 0 HA MET A 13 -16.476 -7.498 3.747 1.00 0.00 H new ATOM 0 HB2 MET A 13 -14.668 -6.141 2.706 1.00 0.00 H new ATOM 0 HB3 MET A 13 -15.527 -6.169 1.179 1.00 0.00 H new ATOM 0 HG2 MET A 13 -17.427 -4.966 2.219 1.00 0.00 H new ATOM 0 HG3 MET A 13 -16.583 -4.951 3.755 1.00 0.00 H new ATOM 0 HE1 MET A 13 -13.914 -2.714 3.740 1.00 0.00 H new ATOM 0 HE2 MET A 13 -14.087 -4.485 3.703 1.00 0.00 H new ATOM 0 HE3 MET A 13 -13.234 -3.647 2.385 1.00 0.00 H new ATOM 209 N SER A 14 -18.697 -6.916 2.589 1.00 0.00 N ATOM 210 CA SER A 14 -20.066 -6.932 2.070 1.00 0.00 C ATOM 211 C SER A 14 -20.089 -6.798 0.548 1.00 0.00 C ATOM 212 O SER A 14 -19.306 -6.048 -0.033 1.00 0.00 O ATOM 213 CB SER A 14 -20.883 -5.806 2.703 1.00 0.00 C ATOM 214 OG SER A 14 -20.947 -5.949 4.111 1.00 0.00 O ATOM 0 H SER A 14 -18.574 -6.346 3.426 1.00 0.00 H new ATOM 0 HA SER A 14 -20.509 -7.893 2.332 1.00 0.00 H new ATOM 0 HB2 SER A 14 -20.436 -4.844 2.452 1.00 0.00 H new ATOM 0 HB3 SER A 14 -21.891 -5.807 2.288 1.00 0.00 H new ATOM 0 HG SER A 14 -21.474 -5.215 4.491 1.00 0.00 H new ATOM 220 N GLU A 15 -20.991 -7.543 -0.088 1.00 0.00 N ATOM 221 CA GLU A 15 -21.122 -7.526 -1.543 1.00 0.00 C ATOM 222 C GLU A 15 -21.287 -6.108 -2.077 1.00 0.00 C ATOM 223 O GLU A 15 -20.606 -5.706 -3.019 1.00 0.00 O ATOM 224 CB GLU A 15 -22.312 -8.385 -1.975 1.00 0.00 C ATOM 225 CG GLU A 15 -22.199 -9.840 -1.551 1.00 0.00 C ATOM 226 CD GLU A 15 -23.392 -10.669 -1.986 1.00 0.00 C ATOM 227 OE1 GLU A 15 -24.524 -10.344 -1.569 1.00 0.00 O ATOM 228 OE2 GLU A 15 -23.194 -11.642 -2.744 1.00 0.00 O ATOM 0 H GLU A 15 -21.644 -8.168 0.384 1.00 0.00 H new ATOM 0 HA GLU A 15 -20.204 -7.938 -1.962 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -23.225 -7.963 -1.555 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -22.408 -8.338 -3.060 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -21.290 -10.268 -1.974 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -22.101 -9.892 -0.467 1.00 0.00 H new ATOM 235 N GLU A 16 -22.196 -5.360 -1.474 1.00 0.00 N ATOM 236 CA GLU A 16 -22.454 -3.987 -1.897 1.00 0.00 C ATOM 237 C GLU A 16 -21.192 -3.137 -1.812 1.00 0.00 C ATOM 238 O GLU A 16 -20.902 -2.350 -2.714 1.00 0.00 O ATOM 239 CB GLU A 16 -23.563 -3.366 -1.045 1.00 0.00 C ATOM 240 CG GLU A 16 -23.234 -3.318 0.439 1.00 0.00 C ATOM 241 CD GLU A 16 -24.347 -2.702 1.262 1.00 0.00 C ATOM 242 OE1 GLU A 16 -25.473 -3.244 1.241 1.00 0.00 O ATOM 243 OE2 GLU A 16 -24.095 -1.677 1.930 1.00 0.00 O ATOM 0 H GLU A 16 -22.768 -5.676 -0.691 1.00 0.00 H new ATOM 0 HA GLU A 16 -22.777 -4.013 -2.938 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -23.758 -2.354 -1.399 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -24.481 -3.936 -1.187 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -23.039 -4.329 0.797 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -22.318 -2.745 0.586 1.00 0.00 H new ATOM 250 N MET A 17 -20.444 -3.294 -0.726 1.00 0.00 N ATOM 251 CA MET A 17 -19.217 -2.533 -0.533 1.00 0.00 C ATOM 252 C MET A 17 -18.214 -2.823 -1.641 1.00 0.00 C ATOM 253 O MET A 17 -17.686 -1.904 -2.269 1.00 0.00 O ATOM 254 CB MET A 17 -18.601 -2.847 0.830 1.00 0.00 C ATOM 255 CG MET A 17 -19.489 -2.461 2.000 1.00 0.00 C ATOM 256 SD MET A 17 -18.761 -2.885 3.595 1.00 0.00 S ATOM 257 CE MET A 17 -20.038 -2.309 4.712 1.00 0.00 C ATOM 0 H MET A 17 -20.665 -3.940 0.032 1.00 0.00 H new ATOM 0 HA MET A 17 -19.470 -1.473 -0.569 1.00 0.00 H new ATOM 0 HB2 MET A 17 -18.385 -3.914 0.885 1.00 0.00 H new ATOM 0 HB3 MET A 17 -17.649 -2.324 0.919 1.00 0.00 H new ATOM 0 HG2 MET A 17 -19.682 -1.389 1.967 1.00 0.00 H new ATOM 0 HG3 MET A 17 -20.452 -2.961 1.900 1.00 0.00 H new ATOM 0 HE1 MET A 17 -19.626 -1.548 5.374 1.00 0.00 H new ATOM 0 HE2 MET A 17 -20.860 -1.883 4.136 1.00 0.00 H new ATOM 0 HE3 MET A 17 -20.406 -3.146 5.306 1.00 0.00 H new ATOM 267 N GLN A 18 -17.957 -4.101 -1.881 1.00 0.00 N ATOM 268 CA GLN A 18 -17.019 -4.502 -2.921 1.00 0.00 C ATOM 269 C GLN A 18 -17.502 -4.050 -4.293 1.00 0.00 C ATOM 270 O GLN A 18 -16.709 -3.612 -5.126 1.00 0.00 O ATOM 271 CB GLN A 18 -16.798 -6.014 -2.898 1.00 0.00 C ATOM 272 CG GLN A 18 -18.079 -6.827 -2.929 1.00 0.00 C ATOM 273 CD GLN A 18 -17.817 -8.311 -2.779 1.00 0.00 C ATOM 274 OE1 GLN A 18 -18.182 -8.860 -1.627 1.00 0.00 O flip ATOM 275 NE2 GLN A 18 -17.274 -8.953 -3.679 1.00 0.00 N flip ATOM 0 H GLN A 18 -18.383 -4.876 -1.372 1.00 0.00 H new ATOM 0 HA GLN A 18 -16.065 -4.014 -2.720 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -16.182 -6.294 -3.753 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -16.236 -6.275 -2.001 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -18.739 -6.493 -2.128 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -18.601 -6.645 -3.869 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -17.010 -8.489 -4.549 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -17.088 -9.948 -3.555 1.00 0.00 H new ATOM 284 N GLN A 19 -18.807 -4.145 -4.521 1.00 0.00 N ATOM 285 CA GLN A 19 -19.385 -3.728 -5.793 1.00 0.00 C ATOM 286 C GLN A 19 -19.264 -2.220 -5.968 1.00 0.00 C ATOM 287 O GLN A 19 -18.952 -1.733 -7.055 1.00 0.00 O ATOM 288 CB GLN A 19 -20.850 -4.157 -5.889 1.00 0.00 C ATOM 289 CG GLN A 19 -21.036 -5.662 -5.999 1.00 0.00 C ATOM 290 CD GLN A 19 -22.496 -6.066 -6.052 1.00 0.00 C ATOM 291 OE1 GLN A 19 -23.263 -5.789 -5.131 1.00 0.00 O ATOM 292 NE2 GLN A 19 -22.887 -6.727 -7.135 1.00 0.00 N ATOM 0 H GLN A 19 -19.482 -4.505 -3.846 1.00 0.00 H new ATOM 0 HA GLN A 19 -18.830 -4.216 -6.594 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -21.384 -3.796 -5.010 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -21.304 -3.678 -6.757 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -20.530 -6.022 -6.895 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -20.559 -6.147 -5.147 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -22.217 -6.935 -7.875 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -23.858 -7.026 -7.227 1.00 0.00 H new ATOM 301 N ASP A 20 -19.504 -1.483 -4.888 1.00 0.00 N ATOM 302 CA ASP A 20 -19.414 -0.029 -4.921 1.00 0.00 C ATOM 303 C ASP A 20 -17.976 0.415 -5.128 1.00 0.00 C ATOM 304 O ASP A 20 -17.715 1.394 -5.822 1.00 0.00 O ATOM 305 CB ASP A 20 -19.974 0.572 -3.629 1.00 0.00 C ATOM 306 CG ASP A 20 -19.931 2.089 -3.628 1.00 0.00 C ATOM 307 OD1 ASP A 20 -20.558 2.701 -4.518 1.00 0.00 O ATOM 308 OD2 ASP A 20 -19.270 2.662 -2.738 1.00 0.00 O ATOM 0 H ASP A 20 -19.762 -1.869 -3.980 1.00 0.00 H new ATOM 0 HA ASP A 20 -20.010 0.331 -5.760 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -21.004 0.241 -3.494 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -19.404 0.195 -2.780 1.00 0.00 H new ATOM 313 N SER A 21 -17.044 -0.312 -4.528 1.00 0.00 N ATOM 314 CA SER A 21 -15.632 0.011 -4.667 1.00 0.00 C ATOM 315 C SER A 21 -15.179 -0.238 -6.100 1.00 0.00 C ATOM 316 O SER A 21 -14.478 0.582 -6.692 1.00 0.00 O ATOM 317 CB SER A 21 -14.791 -0.818 -3.696 1.00 0.00 C ATOM 318 OG SER A 21 -13.413 -0.514 -3.824 1.00 0.00 O ATOM 0 H SER A 21 -17.239 -1.125 -3.944 1.00 0.00 H new ATOM 0 HA SER A 21 -15.492 1.065 -4.428 1.00 0.00 H new ATOM 0 HB2 SER A 21 -15.115 -0.625 -2.673 1.00 0.00 H new ATOM 0 HB3 SER A 21 -14.951 -1.879 -3.886 1.00 0.00 H new ATOM 0 HG SER A 21 -12.885 -1.172 -3.325 1.00 0.00 H new ATOM 324 N VAL A 22 -15.599 -1.371 -6.654 1.00 0.00 N ATOM 325 CA VAL A 22 -15.248 -1.724 -8.021 1.00 0.00 C ATOM 326 C VAL A 22 -15.815 -0.706 -9.001 1.00 0.00 C ATOM 327 O VAL A 22 -15.109 -0.218 -9.885 1.00 0.00 O ATOM 328 CB VAL A 22 -15.764 -3.130 -8.391 1.00 0.00 C ATOM 329 CG1 VAL A 22 -15.344 -3.504 -9.805 1.00 0.00 C ATOM 330 CG2 VAL A 22 -15.266 -4.162 -7.389 1.00 0.00 C ATOM 0 H VAL A 22 -16.182 -2.058 -6.176 1.00 0.00 H new ATOM 0 HA VAL A 22 -14.160 -1.724 -8.085 1.00 0.00 H new ATOM 0 HB VAL A 22 -16.853 -3.116 -8.355 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -15.719 -4.499 -10.045 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -15.756 -2.782 -10.510 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -14.256 -3.499 -9.875 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -15.640 -5.148 -7.666 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -14.176 -4.174 -7.390 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -15.625 -3.904 -6.393 1.00 0.00 H new ATOM 340 N GLU A 23 -17.090 -0.379 -8.829 1.00 0.00 N ATOM 341 CA GLU A 23 -17.746 0.598 -9.692 1.00 0.00 C ATOM 342 C GLU A 23 -17.161 1.981 -9.450 1.00 0.00 C ATOM 343 O GLU A 23 -16.878 2.725 -10.391 1.00 0.00 O ATOM 344 CB GLU A 23 -19.255 0.608 -9.437 1.00 0.00 C ATOM 345 CG GLU A 23 -19.936 -0.711 -9.768 1.00 0.00 C ATOM 346 CD GLU A 23 -21.419 -0.696 -9.456 1.00 0.00 C ATOM 347 OE1 GLU A 23 -22.140 0.146 -10.035 1.00 0.00 O ATOM 348 OE2 GLU A 23 -21.862 -1.526 -8.635 1.00 0.00 O ATOM 0 H GLU A 23 -17.689 -0.773 -8.104 1.00 0.00 H new ATOM 0 HA GLU A 23 -17.574 0.319 -10.731 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -19.437 0.849 -8.389 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -19.710 1.401 -10.030 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -19.793 -0.934 -10.825 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -19.458 -1.513 -9.206 1.00 0.00 H new ATOM 355 N CYS A 24 -16.971 2.311 -8.179 1.00 0.00 N ATOM 356 CA CYS A 24 -16.406 3.595 -7.796 1.00 0.00 C ATOM 357 C CYS A 24 -14.977 3.722 -8.313 1.00 0.00 C ATOM 358 O CYS A 24 -14.523 4.814 -8.654 1.00 0.00 O ATOM 359 CB CYS A 24 -16.434 3.760 -6.276 1.00 0.00 C ATOM 360 SG CYS A 24 -15.853 5.370 -5.696 1.00 0.00 S ATOM 0 H CYS A 24 -17.202 1.703 -7.394 1.00 0.00 H new ATOM 0 HA CYS A 24 -17.011 4.384 -8.243 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -17.454 3.606 -5.924 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -15.820 2.980 -5.826 1.00 0.00 H new ATOM 0 HG CYS A 24 -16.295 5.583 -4.492 1.00 0.00 H new ATOM 366 N ALA A 25 -14.277 2.591 -8.380 1.00 0.00 N ATOM 367 CA ALA A 25 -12.911 2.571 -8.869 1.00 0.00 C ATOM 368 C ALA A 25 -12.895 2.873 -10.355 1.00 0.00 C ATOM 369 O ALA A 25 -12.016 3.579 -10.853 1.00 0.00 O ATOM 370 CB ALA A 25 -12.264 1.222 -8.589 1.00 0.00 C ATOM 0 H ALA A 25 -14.639 1.679 -8.100 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.336 3.336 -8.347 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.240 1.225 -8.963 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -12.258 1.037 -7.515 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -12.830 0.436 -9.089 1.00 0.00 H new ATOM 376 N THR A 26 -13.888 2.337 -11.058 1.00 0.00 N ATOM 377 CA THR A 26 -14.004 2.551 -12.489 1.00 0.00 C ATOM 378 C THR A 26 -14.137 4.037 -12.788 1.00 0.00 C ATOM 379 O THR A 26 -13.441 4.582 -13.648 1.00 0.00 O ATOM 380 CB THR A 26 -15.209 1.788 -13.049 1.00 0.00 C ATOM 381 OG1 THR A 26 -15.096 0.401 -12.780 1.00 0.00 O ATOM 382 CG2 THR A 26 -15.380 1.954 -14.544 1.00 0.00 C ATOM 0 H THR A 26 -14.621 1.752 -10.657 1.00 0.00 H new ATOM 0 HA THR A 26 -13.102 2.175 -12.971 1.00 0.00 H new ATOM 0 HB THR A 26 -16.078 2.216 -12.550 1.00 0.00 H new ATOM 0 HG1 THR A 26 -15.152 0.250 -11.813 1.00 0.00 H new ATOM 0 HG21 THR A 26 -16.251 1.388 -14.876 1.00 0.00 H new ATOM 0 HG22 THR A 26 -15.521 3.009 -14.779 1.00 0.00 H new ATOM 0 HG23 THR A 26 -14.491 1.584 -15.055 1.00 0.00 H new ATOM 390 N GLN A 27 -15.027 4.692 -12.050 1.00 0.00 N ATOM 391 CA GLN A 27 -15.246 6.122 -12.209 1.00 0.00 C ATOM 392 C GLN A 27 -13.947 6.876 -11.956 1.00 0.00 C ATOM 393 O GLN A 27 -13.627 7.840 -12.650 1.00 0.00 O ATOM 394 CB GLN A 27 -16.332 6.604 -11.245 1.00 0.00 C ATOM 395 CG GLN A 27 -17.681 5.939 -11.465 1.00 0.00 C ATOM 396 CD GLN A 27 -18.246 6.202 -12.848 1.00 0.00 C ATOM 397 OE1 GLN A 27 -17.642 5.838 -13.856 1.00 0.00 O ATOM 398 NE2 GLN A 27 -19.410 6.838 -12.900 1.00 0.00 N ATOM 0 H GLN A 27 -15.608 4.253 -11.336 1.00 0.00 H new ATOM 0 HA GLN A 27 -15.577 6.316 -13.229 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -16.007 6.417 -10.222 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -16.447 7.683 -11.350 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -17.580 4.864 -11.317 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -18.385 6.299 -10.715 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -19.875 7.121 -12.038 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -19.839 7.043 -13.802 1.00 0.00 H new ATOM 407 N ALA A 28 -13.202 6.418 -10.955 1.00 0.00 N ATOM 408 CA ALA A 28 -11.930 7.029 -10.599 1.00 0.00 C ATOM 409 C ALA A 28 -10.988 7.075 -11.797 1.00 0.00 C ATOM 410 O ALA A 28 -10.353 8.095 -12.055 1.00 0.00 O ATOM 411 CB ALA A 28 -11.289 6.257 -9.460 1.00 0.00 C ATOM 0 H ALA A 28 -13.461 5.621 -10.374 1.00 0.00 H new ATOM 0 HA ALA A 28 -12.119 8.054 -10.280 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.337 6.719 -9.198 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -11.950 6.271 -8.593 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -11.119 5.226 -9.770 1.00 0.00 H new ATOM 417 N LEU A 29 -10.900 5.965 -12.522 1.00 0.00 N ATOM 418 CA LEU A 29 -10.030 5.890 -13.692 1.00 0.00 C ATOM 419 C LEU A 29 -10.453 6.899 -14.750 1.00 0.00 C ATOM 420 O LEU A 29 -9.631 7.643 -15.281 1.00 0.00 O ATOM 421 CB LEU A 29 -10.044 4.482 -14.280 1.00 0.00 C ATOM 422 CG LEU A 29 -9.246 3.451 -13.487 1.00 0.00 C ATOM 423 CD1 LEU A 29 -9.592 2.041 -13.939 1.00 0.00 C ATOM 424 CD2 LEU A 29 -7.754 3.705 -13.639 1.00 0.00 C ATOM 0 H LEU A 29 -11.417 5.109 -12.322 1.00 0.00 H new ATOM 0 HA LEU A 29 -9.016 6.129 -13.372 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -11.078 4.144 -14.352 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -9.650 4.523 -15.296 1.00 0.00 H new ATOM 0 HG LEU A 29 -9.511 3.548 -12.434 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -9.012 1.321 -13.361 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -10.655 1.859 -13.783 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -9.357 1.930 -14.998 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.198 2.962 -13.068 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -7.478 3.634 -14.691 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -7.515 4.701 -13.267 1.00 0.00 H new ATOM 436 N GLU A 30 -11.741 6.910 -15.054 1.00 0.00 N ATOM 437 CA GLU A 30 -12.285 7.820 -16.054 1.00 0.00 C ATOM 438 C GLU A 30 -12.188 9.274 -15.598 1.00 0.00 C ATOM 439 O GLU A 30 -12.026 10.179 -16.414 1.00 0.00 O ATOM 440 CB GLU A 30 -13.741 7.465 -16.352 1.00 0.00 C ATOM 441 CG GLU A 30 -13.927 6.056 -16.890 1.00 0.00 C ATOM 442 CD GLU A 30 -15.379 5.729 -17.180 1.00 0.00 C ATOM 443 OE1 GLU A 30 -16.199 5.780 -16.238 1.00 0.00 O ATOM 444 OE2 GLU A 30 -15.697 5.420 -18.348 1.00 0.00 O ATOM 0 H GLU A 30 -12.433 6.297 -14.622 1.00 0.00 H new ATOM 0 HA GLU A 30 -11.692 7.710 -16.962 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -14.327 7.577 -15.440 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -14.139 8.176 -17.076 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -13.343 5.940 -17.803 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -13.535 5.340 -16.167 1.00 0.00 H new ATOM 451 N LYS A 31 -12.305 9.493 -14.291 1.00 0.00 N ATOM 452 CA LYS A 31 -12.251 10.837 -13.732 1.00 0.00 C ATOM 453 C LYS A 31 -10.820 11.292 -13.464 1.00 0.00 C ATOM 454 O LYS A 31 -10.513 12.478 -13.580 1.00 0.00 O ATOM 455 CB LYS A 31 -13.074 10.911 -12.446 1.00 0.00 C ATOM 456 CG LYS A 31 -14.568 10.749 -12.674 1.00 0.00 C ATOM 457 CD LYS A 31 -15.347 10.843 -11.372 1.00 0.00 C ATOM 458 CE LYS A 31 -16.848 10.858 -11.618 1.00 0.00 C ATOM 459 NZ LYS A 31 -17.316 9.635 -12.328 1.00 0.00 N ATOM 0 H LYS A 31 -12.438 8.755 -13.600 1.00 0.00 H new ATOM 0 HA LYS A 31 -12.676 11.512 -14.474 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -12.733 10.136 -11.760 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -12.890 11.869 -11.961 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -14.917 11.518 -13.363 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -14.762 9.786 -13.146 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -15.091 9.998 -10.732 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -15.056 11.747 -10.838 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -17.369 10.944 -10.665 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -17.109 11.739 -12.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -17.862 9.910 -13.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -16.495 9.066 -12.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -17.918 9.074 -11.693 1.00 0.00 H new ATOM 473 N TYR A 32 -9.950 10.360 -13.088 1.00 0.00 N ATOM 474 CA TYR A 32 -8.565 10.709 -12.791 1.00 0.00 C ATOM 475 C TYR A 32 -7.579 9.904 -13.632 1.00 0.00 C ATOM 476 O TYR A 32 -6.629 10.457 -14.184 1.00 0.00 O ATOM 477 CB TYR A 32 -8.271 10.494 -11.305 1.00 0.00 C ATOM 478 CG TYR A 32 -9.192 11.263 -10.383 1.00 0.00 C ATOM 479 CD1 TYR A 32 -10.554 10.989 -10.346 1.00 0.00 C ATOM 480 CD2 TYR A 32 -8.701 12.260 -9.551 1.00 0.00 C ATOM 481 CE1 TYR A 32 -11.399 11.689 -9.506 1.00 0.00 C ATOM 482 CE2 TYR A 32 -9.539 12.963 -8.707 1.00 0.00 C ATOM 483 CZ TYR A 32 -10.888 12.674 -8.689 1.00 0.00 C ATOM 484 OH TYR A 32 -11.725 13.373 -7.850 1.00 0.00 O ATOM 0 H TYR A 32 -10.175 9.371 -12.983 1.00 0.00 H new ATOM 0 HA TYR A 32 -8.436 11.762 -13.042 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -8.350 9.431 -11.079 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -7.241 10.787 -11.102 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -10.958 10.217 -10.984 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -7.646 12.490 -9.564 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -12.455 11.465 -9.490 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -9.140 13.734 -8.065 1.00 0.00 H new ATOM 0 HH TYR A 32 -11.205 14.030 -7.342 1.00 0.00 H new ATOM 494 N ASN A 33 -7.801 8.597 -13.717 1.00 0.00 N ATOM 495 CA ASN A 33 -6.921 7.720 -14.483 1.00 0.00 C ATOM 496 C ASN A 33 -5.527 7.678 -13.859 1.00 0.00 C ATOM 497 O ASN A 33 -4.518 7.741 -14.561 1.00 0.00 O ATOM 498 CB ASN A 33 -6.830 8.191 -15.939 1.00 0.00 C ATOM 499 CG ASN A 33 -5.990 7.264 -16.795 1.00 0.00 C ATOM 500 OD1 ASN A 33 -6.296 6.079 -16.934 1.00 0.00 O ATOM 501 ND2 ASN A 33 -4.921 7.798 -17.376 1.00 0.00 N ATOM 0 H ASN A 33 -8.582 8.121 -13.266 1.00 0.00 H new ATOM 0 HA ASN A 33 -7.342 6.715 -14.464 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -7.833 8.259 -16.359 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -6.403 9.194 -15.968 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -4.318 7.222 -17.963 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -4.703 8.784 -17.235 1.00 0.00 H new ATOM 508 N ILE A 34 -5.480 7.570 -12.533 1.00 0.00 N ATOM 509 CA ILE A 34 -4.214 7.516 -11.807 1.00 0.00 C ATOM 510 C ILE A 34 -4.353 6.654 -10.554 1.00 0.00 C ATOM 511 O ILE A 34 -5.293 6.815 -9.779 1.00 0.00 O ATOM 512 CB ILE A 34 -3.736 8.926 -11.403 1.00 0.00 C ATOM 513 CG1 ILE A 34 -3.619 9.829 -12.634 1.00 0.00 C ATOM 514 CG2 ILE A 34 -2.399 8.849 -10.675 1.00 0.00 C ATOM 515 CD1 ILE A 34 -2.563 9.378 -13.621 1.00 0.00 C ATOM 0 H ILE A 34 -6.307 7.518 -11.938 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.474 7.075 -12.475 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.475 9.356 -10.727 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.584 9.866 -13.139 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.390 10.844 -12.309 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.077 9.853 -10.398 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.508 8.242 -9.776 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.654 8.397 -11.330 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.538 10.066 -14.466 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.589 9.368 -13.132 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.801 8.375 -13.976 1.00 0.00 H new ATOM 527 N GLU A 35 -3.417 5.731 -10.370 1.00 0.00 N ATOM 528 CA GLU A 35 -3.441 4.828 -9.223 1.00 0.00 C ATOM 529 C GLU A 35 -3.562 5.583 -7.898 1.00 0.00 C ATOM 530 O GLU A 35 -4.389 5.238 -7.053 1.00 0.00 O ATOM 531 CB GLU A 35 -2.183 3.958 -9.214 1.00 0.00 C ATOM 532 CG GLU A 35 -0.890 4.756 -9.129 1.00 0.00 C ATOM 533 CD GLU A 35 0.347 3.880 -9.193 1.00 0.00 C ATOM 534 OE1 GLU A 35 0.196 2.644 -9.289 1.00 0.00 O ATOM 535 OE2 GLU A 35 1.467 4.431 -9.144 1.00 0.00 O ATOM 0 H GLU A 35 -2.629 5.587 -11.002 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.324 4.197 -9.323 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.232 3.271 -8.369 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.166 3.350 -10.118 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.860 5.479 -9.944 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.880 5.324 -8.199 1.00 0.00 H new ATOM 542 N LYS A 36 -2.726 6.596 -7.715 1.00 0.00 N ATOM 543 CA LYS A 36 -2.734 7.379 -6.478 1.00 0.00 C ATOM 544 C LYS A 36 -4.029 8.172 -6.310 1.00 0.00 C ATOM 545 O LYS A 36 -4.700 8.070 -5.282 1.00 0.00 O ATOM 546 CB LYS A 36 -1.552 8.346 -6.456 1.00 0.00 C ATOM 547 CG LYS A 36 -1.408 9.090 -5.138 1.00 0.00 C ATOM 548 CD LYS A 36 -0.578 10.351 -5.298 1.00 0.00 C ATOM 549 CE LYS A 36 -1.330 11.408 -6.092 1.00 0.00 C ATOM 550 NZ LYS A 36 -2.553 11.871 -5.377 1.00 0.00 N ATOM 0 H LYS A 36 -2.035 6.897 -8.402 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.656 6.672 -5.652 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.635 7.792 -6.655 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.668 9.070 -7.263 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.395 9.349 -4.756 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.942 8.438 -4.400 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.319 10.746 -4.316 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.358 10.112 -5.802 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -0.674 12.258 -6.278 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -1.609 11.002 -7.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -2.867 12.778 -5.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.308 11.164 -5.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -2.339 11.994 -4.367 1.00 0.00 H new ATOM 564 N ASP A 37 -4.364 8.976 -7.314 1.00 0.00 N ATOM 565 CA ASP A 37 -5.566 9.808 -7.265 1.00 0.00 C ATOM 566 C ASP A 37 -6.815 8.969 -7.014 1.00 0.00 C ATOM 567 O ASP A 37 -7.631 9.297 -6.152 1.00 0.00 O ATOM 568 CB ASP A 37 -5.722 10.591 -8.569 1.00 0.00 C ATOM 569 CG ASP A 37 -4.546 11.510 -8.836 1.00 0.00 C ATOM 570 OD1 ASP A 37 -4.288 12.402 -8.001 1.00 0.00 O ATOM 571 OD2 ASP A 37 -3.883 11.337 -9.881 1.00 0.00 O ATOM 0 H ASP A 37 -3.821 9.071 -8.172 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.452 10.506 -6.435 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -5.829 9.892 -9.399 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.638 11.180 -8.528 1.00 0.00 H new ATOM 576 N ILE A 38 -6.957 7.889 -7.769 1.00 0.00 N ATOM 577 CA ILE A 38 -8.103 7.000 -7.631 1.00 0.00 C ATOM 578 C ILE A 38 -8.269 6.534 -6.186 1.00 0.00 C ATOM 579 O ILE A 38 -9.363 6.589 -5.623 1.00 0.00 O ATOM 580 CB ILE A 38 -7.952 5.771 -8.553 1.00 0.00 C ATOM 581 CG1 ILE A 38 -8.045 6.199 -10.018 1.00 0.00 C ATOM 582 CG2 ILE A 38 -8.999 4.714 -8.234 1.00 0.00 C ATOM 583 CD1 ILE A 38 -7.841 5.061 -10.991 1.00 0.00 C ATOM 0 H ILE A 38 -6.290 7.606 -8.487 1.00 0.00 H new ATOM 0 HA ILE A 38 -8.991 7.562 -7.922 1.00 0.00 H new ATOM 0 HB ILE A 38 -6.971 5.329 -8.378 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -9.022 6.648 -10.196 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -7.299 6.970 -10.211 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -8.868 3.860 -8.899 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -8.885 4.389 -7.200 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -9.995 5.134 -8.375 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -7.920 5.436 -12.011 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -6.853 4.626 -10.840 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -8.602 4.299 -10.824 1.00 0.00 H new ATOM 595 N ALA A 39 -7.176 6.070 -5.601 1.00 0.00 N ATOM 596 CA ALA A 39 -7.183 5.583 -4.229 1.00 0.00 C ATOM 597 C ALA A 39 -7.506 6.692 -3.233 1.00 0.00 C ATOM 598 O ALA A 39 -8.094 6.438 -2.184 1.00 0.00 O ATOM 599 CB ALA A 39 -5.839 4.954 -3.896 1.00 0.00 C ATOM 0 H ALA A 39 -6.266 6.020 -6.059 1.00 0.00 H new ATOM 0 HA ALA A 39 -7.968 4.831 -4.147 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -5.851 4.592 -2.868 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.650 4.120 -4.572 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -5.051 5.698 -4.009 1.00 0.00 H new ATOM 605 N ALA A 40 -7.098 7.915 -3.551 1.00 0.00 N ATOM 606 CA ALA A 40 -7.326 9.047 -2.658 1.00 0.00 C ATOM 607 C ALA A 40 -8.799 9.435 -2.568 1.00 0.00 C ATOM 608 O ALA A 40 -9.361 9.528 -1.473 1.00 0.00 O ATOM 609 CB ALA A 40 -6.498 10.241 -3.111 1.00 0.00 C ATOM 0 H ALA A 40 -6.610 8.149 -4.416 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.015 8.738 -1.660 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.674 11.081 -2.440 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.440 9.978 -3.094 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.786 10.520 -4.125 1.00 0.00 H new ATOM 615 N HIS A 41 -9.415 9.684 -3.717 1.00 0.00 N ATOM 616 CA HIS A 41 -10.814 10.092 -3.758 1.00 0.00 C ATOM 617 C HIS A 41 -11.733 9.004 -3.200 1.00 0.00 C ATOM 618 O HIS A 41 -12.598 9.279 -2.369 1.00 0.00 O ATOM 619 CB HIS A 41 -11.211 10.457 -5.196 1.00 0.00 C ATOM 620 CG HIS A 41 -12.010 9.405 -5.904 1.00 0.00 C ATOM 621 ND1 HIS A 41 -13.326 9.132 -5.597 1.00 0.00 N ATOM 622 CD2 HIS A 41 -11.673 8.554 -6.903 1.00 0.00 C ATOM 623 CE1 HIS A 41 -13.765 8.163 -6.375 1.00 0.00 C ATOM 624 NE2 HIS A 41 -12.786 7.795 -7.178 1.00 0.00 N ATOM 0 H HIS A 41 -8.969 9.611 -4.631 1.00 0.00 H new ATOM 0 HA HIS A 41 -10.931 10.971 -3.124 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -11.787 11.382 -5.177 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -10.306 10.657 -5.770 1.00 0.00 H new ATOM 0 HD1 HIS A 41 -13.874 9.606 -4.880 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -10.712 8.485 -7.391 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -14.759 7.741 -6.358 1.00 0.00 H new ATOM 633 N ILE A 42 -11.550 7.773 -3.669 1.00 0.00 N ATOM 634 CA ILE A 42 -12.378 6.658 -3.220 1.00 0.00 C ATOM 635 C ILE A 42 -12.243 6.426 -1.717 1.00 0.00 C ATOM 636 O ILE A 42 -13.235 6.189 -1.029 1.00 0.00 O ATOM 637 CB ILE A 42 -12.029 5.358 -3.974 1.00 0.00 C ATOM 638 CG1 ILE A 42 -12.223 5.555 -5.475 1.00 0.00 C ATOM 639 CG2 ILE A 42 -12.882 4.198 -3.473 1.00 0.00 C ATOM 640 CD1 ILE A 42 -11.905 4.323 -6.285 1.00 0.00 C ATOM 0 H ILE A 42 -10.839 7.523 -4.357 1.00 0.00 H new ATOM 0 HA ILE A 42 -13.411 6.928 -3.440 1.00 0.00 H new ATOM 0 HB ILE A 42 -10.983 5.117 -3.784 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -13.255 5.850 -5.665 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -11.590 6.376 -5.811 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -12.620 3.291 -4.018 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -12.701 4.047 -2.409 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -13.936 4.425 -3.633 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -12.064 4.532 -7.343 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -10.865 4.040 -6.123 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -12.556 3.506 -5.975 1.00 0.00 H new ATOM 652 N LYS A 43 -11.018 6.489 -1.213 1.00 0.00 N ATOM 653 CA LYS A 43 -10.770 6.276 0.209 1.00 0.00 C ATOM 654 C LYS A 43 -11.582 7.251 1.055 1.00 0.00 C ATOM 655 O LYS A 43 -12.295 6.846 1.974 1.00 0.00 O ATOM 656 CB LYS A 43 -9.272 6.428 0.502 1.00 0.00 C ATOM 657 CG LYS A 43 -8.842 5.963 1.889 1.00 0.00 C ATOM 658 CD LYS A 43 -9.374 6.856 3.002 1.00 0.00 C ATOM 659 CE LYS A 43 -8.987 8.312 2.793 1.00 0.00 C ATOM 660 NZ LYS A 43 -9.467 9.181 3.903 1.00 0.00 N ATOM 0 H LYS A 43 -10.182 6.685 -1.764 1.00 0.00 H new ATOM 0 HA LYS A 43 -11.083 5.265 0.470 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -8.711 5.866 -0.245 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -8.997 7.476 0.384 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -9.191 4.943 2.050 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -7.753 5.939 1.938 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -10.460 6.772 3.048 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -8.987 6.511 3.961 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -7.903 8.391 2.713 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -9.403 8.666 1.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -9.272 10.177 3.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -10.491 9.049 4.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -8.974 8.926 4.782 1.00 0.00 H new ATOM 674 N LYS A 44 -11.468 8.539 0.748 1.00 0.00 N ATOM 675 CA LYS A 44 -12.185 9.570 1.495 1.00 0.00 C ATOM 676 C LYS A 44 -13.699 9.365 1.457 1.00 0.00 C ATOM 677 O LYS A 44 -14.371 9.480 2.481 1.00 0.00 O ATOM 678 CB LYS A 44 -11.836 10.955 0.948 1.00 0.00 C ATOM 679 CG LYS A 44 -10.355 11.288 1.038 1.00 0.00 C ATOM 680 CD LYS A 44 -10.059 12.668 0.477 1.00 0.00 C ATOM 681 CE LYS A 44 -8.579 13.002 0.569 1.00 0.00 C ATOM 682 NZ LYS A 44 -8.278 14.353 0.021 1.00 0.00 N ATOM 0 H LYS A 44 -10.887 8.895 -0.011 1.00 0.00 H new ATOM 0 HA LYS A 44 -11.869 9.493 2.535 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.151 11.015 -0.094 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -12.403 11.707 1.497 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.033 11.240 2.078 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.779 10.541 0.492 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -10.379 12.715 -0.564 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -10.636 13.415 1.022 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -8.260 12.954 1.610 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -8.004 12.253 0.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -7.259 14.542 0.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -8.558 14.392 -0.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -8.807 15.071 0.557 1.00 0.00 H new ATOM 696 N GLU A 45 -14.235 9.076 0.276 1.00 0.00 N ATOM 697 CA GLU A 45 -15.675 8.875 0.123 1.00 0.00 C ATOM 698 C GLU A 45 -16.197 7.777 1.049 1.00 0.00 C ATOM 699 O GLU A 45 -17.203 7.963 1.734 1.00 0.00 O ATOM 700 CB GLU A 45 -16.015 8.531 -1.329 1.00 0.00 C ATOM 701 CG GLU A 45 -15.733 9.662 -2.303 1.00 0.00 C ATOM 702 CD GLU A 45 -16.068 9.293 -3.736 1.00 0.00 C ATOM 703 OE1 GLU A 45 -15.483 8.316 -4.248 1.00 0.00 O ATOM 704 OE2 GLU A 45 -16.916 9.980 -4.343 1.00 0.00 O ATOM 0 H GLU A 45 -13.699 8.976 -0.586 1.00 0.00 H new ATOM 0 HA GLU A 45 -16.164 9.809 0.399 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -15.443 7.653 -1.629 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -17.069 8.262 -1.393 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -16.311 10.539 -2.013 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -14.680 9.938 -2.239 1.00 0.00 H new ATOM 711 N PHE A 46 -15.517 6.636 1.064 1.00 0.00 N ATOM 712 CA PHE A 46 -15.931 5.518 1.907 1.00 0.00 C ATOM 713 C PHE A 46 -15.810 5.855 3.390 1.00 0.00 C ATOM 714 O PHE A 46 -16.673 5.490 4.187 1.00 0.00 O ATOM 715 CB PHE A 46 -15.125 4.264 1.568 1.00 0.00 C ATOM 716 CG PHE A 46 -15.556 3.604 0.285 1.00 0.00 C ATOM 717 CD1 PHE A 46 -15.533 4.297 -0.915 1.00 0.00 C ATOM 718 CD2 PHE A 46 -15.987 2.288 0.283 1.00 0.00 C ATOM 719 CE1 PHE A 46 -15.931 3.687 -2.092 1.00 0.00 C ATOM 720 CE2 PHE A 46 -16.386 1.673 -0.888 1.00 0.00 C ATOM 721 CZ PHE A 46 -16.357 2.373 -2.078 1.00 0.00 C ATOM 0 H PHE A 46 -14.681 6.460 0.506 1.00 0.00 H new ATOM 0 HA PHE A 46 -16.983 5.321 1.702 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -14.070 4.528 1.495 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -15.219 3.549 2.385 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -15.201 5.325 -0.932 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -16.012 1.735 1.210 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -15.909 4.238 -3.021 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -16.720 0.646 -0.873 1.00 0.00 H new ATOM 0 HZ PHE A 46 -16.667 1.894 -2.995 1.00 0.00 H new ATOM 731 N ASP A 47 -14.748 6.560 3.757 1.00 0.00 N ATOM 732 CA ASP A 47 -14.540 6.946 5.149 1.00 0.00 C ATOM 733 C ASP A 47 -15.659 7.859 5.631 1.00 0.00 C ATOM 734 O ASP A 47 -16.106 7.764 6.771 1.00 0.00 O ATOM 735 CB ASP A 47 -13.189 7.643 5.317 1.00 0.00 C ATOM 736 CG ASP A 47 -12.030 6.676 5.214 1.00 0.00 C ATOM 737 OD1 ASP A 47 -11.975 5.922 4.221 1.00 0.00 O ATOM 738 OD2 ASP A 47 -11.175 6.672 6.124 1.00 0.00 O ATOM 0 H ASP A 47 -14.020 6.875 3.116 1.00 0.00 H new ATOM 0 HA ASP A 47 -14.547 6.039 5.754 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -13.084 8.416 4.556 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -13.158 8.143 6.285 1.00 0.00 H new ATOM 743 N LYS A 48 -16.102 8.749 4.758 1.00 0.00 N ATOM 744 CA LYS A 48 -17.164 9.689 5.090 1.00 0.00 C ATOM 745 C LYS A 48 -18.513 8.977 5.214 1.00 0.00 C ATOM 746 O LYS A 48 -19.321 9.297 6.085 1.00 0.00 O ATOM 747 CB LYS A 48 -17.248 10.772 4.012 1.00 0.00 C ATOM 748 CG LYS A 48 -17.675 12.129 4.543 1.00 0.00 C ATOM 749 CD LYS A 48 -18.986 12.048 5.307 1.00 0.00 C ATOM 750 CE LYS A 48 -19.347 13.387 5.923 1.00 0.00 C ATOM 751 NZ LYS A 48 -20.647 13.335 6.647 1.00 0.00 N ATOM 0 H LYS A 48 -15.741 8.841 3.808 1.00 0.00 H new ATOM 0 HA LYS A 48 -16.930 10.144 6.052 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -16.275 10.870 3.531 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -17.953 10.454 3.244 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -16.897 12.525 5.196 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -17.780 12.828 3.713 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -19.782 11.728 4.635 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -18.907 11.294 6.090 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -18.560 13.693 6.612 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -19.398 14.144 5.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -20.856 14.270 7.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -21.403 13.068 5.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -20.591 12.631 7.410 1.00 0.00 H new ATOM 765 N LYS A 49 -18.755 8.026 4.321 1.00 0.00 N ATOM 766 CA LYS A 49 -20.015 7.286 4.304 1.00 0.00 C ATOM 767 C LYS A 49 -20.038 6.128 5.300 1.00 0.00 C ATOM 768 O LYS A 49 -20.937 6.034 6.135 1.00 0.00 O ATOM 769 CB LYS A 49 -20.287 6.756 2.896 1.00 0.00 C ATOM 770 CG LYS A 49 -20.348 7.843 1.837 1.00 0.00 C ATOM 771 CD LYS A 49 -20.637 7.265 0.461 1.00 0.00 C ATOM 772 CE LYS A 49 -20.692 8.352 -0.599 1.00 0.00 C ATOM 773 NZ LYS A 49 -20.981 7.796 -1.951 1.00 0.00 N ATOM 0 H LYS A 49 -18.094 7.747 3.596 1.00 0.00 H new ATOM 0 HA LYS A 49 -20.796 7.984 4.604 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -19.507 6.043 2.628 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -21.230 6.210 2.899 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -21.121 8.565 2.099 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -19.402 8.384 1.814 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -19.866 6.540 0.200 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -21.585 6.728 0.483 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -21.460 9.079 -0.334 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -19.742 8.886 -0.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -21.010 8.570 -2.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -20.235 7.121 -2.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -21.900 7.309 -1.937 1.00 0.00 H new ATOM 787 N TYR A 50 -19.067 5.236 5.184 1.00 0.00 N ATOM 788 CA TYR A 50 -18.995 4.061 6.051 1.00 0.00 C ATOM 789 C TYR A 50 -18.238 4.332 7.348 1.00 0.00 C ATOM 790 O TYR A 50 -18.367 3.570 8.304 1.00 0.00 O ATOM 791 CB TYR A 50 -18.354 2.894 5.301 1.00 0.00 C ATOM 792 CG TYR A 50 -19.146 2.457 4.089 1.00 0.00 C ATOM 793 CD1 TYR A 50 -19.329 3.313 3.011 1.00 0.00 C ATOM 794 CD2 TYR A 50 -19.723 1.194 4.027 1.00 0.00 C ATOM 795 CE1 TYR A 50 -20.061 2.926 1.907 1.00 0.00 C ATOM 796 CE2 TYR A 50 -20.454 0.797 2.924 1.00 0.00 C ATOM 797 CZ TYR A 50 -20.621 1.667 1.868 1.00 0.00 C ATOM 798 OH TYR A 50 -21.351 1.276 0.767 1.00 0.00 O ATOM 0 H TYR A 50 -18.315 5.300 4.498 1.00 0.00 H new ATOM 0 HA TYR A 50 -20.018 3.804 6.327 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -17.350 3.180 4.987 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -18.247 2.049 5.981 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -18.890 4.300 3.037 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -19.598 0.512 4.855 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -20.194 3.606 1.078 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -20.892 -0.190 2.889 1.00 0.00 H new ATOM 0 HH TYR A 50 -21.675 0.361 0.898 1.00 0.00 H new ATOM 808 N ASN A 51 -17.447 5.406 7.367 1.00 0.00 N ATOM 809 CA ASN A 51 -16.648 5.786 8.545 1.00 0.00 C ATOM 810 C ASN A 51 -15.218 5.264 8.406 1.00 0.00 C ATOM 811 O ASN A 51 -15.003 4.138 7.957 1.00 0.00 O ATOM 812 CB ASN A 51 -17.265 5.262 9.849 1.00 0.00 C ATOM 813 CG ASN A 51 -16.600 5.846 11.080 1.00 0.00 C ATOM 814 OD1 ASN A 51 -16.630 7.057 11.301 1.00 0.00 O ATOM 815 ND2 ASN A 51 -15.992 4.986 11.888 1.00 0.00 N ATOM 0 H ASN A 51 -17.339 6.037 6.573 1.00 0.00 H new ATOM 0 HA ASN A 51 -16.638 6.875 8.592 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -18.328 5.501 9.866 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -17.182 4.175 9.876 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -15.525 5.321 12.731 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -15.992 3.990 11.666 1.00 0.00 H new ATOM 822 N PRO A 52 -14.216 6.081 8.776 1.00 0.00 N ATOM 823 CA PRO A 52 -12.804 5.694 8.676 1.00 0.00 C ATOM 824 C PRO A 52 -12.486 4.408 9.442 1.00 0.00 C ATOM 825 O PRO A 52 -13.297 3.944 10.242 1.00 0.00 O ATOM 826 CB PRO A 52 -12.054 6.878 9.290 1.00 0.00 C ATOM 827 CG PRO A 52 -12.994 8.029 9.181 1.00 0.00 C ATOM 828 CD PRO A 52 -14.373 7.447 9.312 1.00 0.00 C ATOM 0 HA PRO A 52 -12.523 5.484 7.644 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -11.790 6.682 10.329 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -11.124 7.076 8.756 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -12.804 8.764 9.963 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -12.875 8.542 8.226 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -14.708 7.436 10.349 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -15.107 8.020 8.745 1.00 0.00 H new ATOM 836 N THR A 53 -11.305 3.825 9.190 1.00 0.00 N ATOM 837 CA THR A 53 -10.339 4.371 8.240 1.00 0.00 C ATOM 838 C THR A 53 -10.046 3.375 7.127 1.00 0.00 C ATOM 839 O THR A 53 -9.635 2.246 7.388 1.00 0.00 O ATOM 840 CB THR A 53 -9.052 4.730 8.976 1.00 0.00 C ATOM 841 OG1 THR A 53 -8.141 5.389 8.113 1.00 0.00 O ATOM 842 CG2 THR A 53 -8.341 3.529 9.563 1.00 0.00 C ATOM 0 H THR A 53 -10.998 2.963 9.641 1.00 0.00 H new ATOM 0 HA THR A 53 -10.763 5.267 7.786 1.00 0.00 H new ATOM 0 HB THR A 53 -9.363 5.383 9.791 1.00 0.00 H new ATOM 0 HG1 THR A 53 -7.312 4.870 8.055 1.00 0.00 H new ATOM 0 HG21 THR A 53 -7.434 3.856 10.072 1.00 0.00 H new ATOM 0 HG22 THR A 53 -8.998 3.030 10.276 1.00 0.00 H new ATOM 0 HG23 THR A 53 -8.079 2.835 8.764 1.00 0.00 H new ATOM 850 N TRP A 54 -10.261 3.802 5.885 1.00 0.00 N ATOM 851 CA TRP A 54 -10.022 2.941 4.731 1.00 0.00 C ATOM 852 C TRP A 54 -8.638 3.151 4.143 1.00 0.00 C ATOM 853 O TRP A 54 -8.205 4.281 3.921 1.00 0.00 O ATOM 854 CB TRP A 54 -11.072 3.186 3.652 1.00 0.00 C ATOM 855 CG TRP A 54 -12.467 2.933 4.119 1.00 0.00 C ATOM 856 CD1 TRP A 54 -13.117 3.572 5.132 1.00 0.00 C ATOM 857 CD2 TRP A 54 -13.380 1.960 3.603 1.00 0.00 C ATOM 858 NE1 TRP A 54 -14.385 3.069 5.269 1.00 0.00 N ATOM 859 CE2 TRP A 54 -14.571 2.075 4.343 1.00 0.00 C ATOM 860 CE3 TRP A 54 -13.308 1.006 2.584 1.00 0.00 C ATOM 861 CZ2 TRP A 54 -15.679 1.271 4.097 1.00 0.00 C ATOM 862 CZ3 TRP A 54 -14.410 0.206 2.342 1.00 0.00 C ATOM 863 CH2 TRP A 54 -15.582 0.345 3.096 1.00 0.00 C ATOM 0 H TRP A 54 -10.599 4.736 5.653 1.00 0.00 H new ATOM 0 HA TRP A 54 -10.091 1.912 5.083 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -10.993 4.216 3.305 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -10.860 2.545 2.796 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -12.695 4.360 5.738 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -15.077 3.383 5.949 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -12.409 0.896 1.996 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -16.584 1.375 4.677 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -14.366 -0.537 1.560 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -16.427 -0.293 2.882 1.00 0.00 H new ATOM 874 N HIS A 55 -7.960 2.047 3.873 1.00 0.00 N ATOM 875 CA HIS A 55 -6.636 2.083 3.282 1.00 0.00 C ATOM 876 C HIS A 55 -6.735 1.642 1.829 1.00 0.00 C ATOM 877 O HIS A 55 -7.413 0.657 1.528 1.00 0.00 O ATOM 878 CB HIS A 55 -5.698 1.166 4.063 1.00 0.00 C ATOM 879 CG HIS A 55 -5.874 1.286 5.543 1.00 0.00 C ATOM 880 ND1 HIS A 55 -5.766 2.483 6.218 1.00 0.00 N ATOM 881 CD2 HIS A 55 -6.166 0.355 6.479 1.00 0.00 C ATOM 882 CE1 HIS A 55 -5.976 2.282 7.504 1.00 0.00 C ATOM 883 NE2 HIS A 55 -6.222 0.999 7.690 1.00 0.00 N ATOM 0 H HIS A 55 -8.311 1.107 4.057 1.00 0.00 H new ATOM 0 HA HIS A 55 -6.234 3.095 3.322 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -5.873 0.133 3.763 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -4.666 1.402 3.804 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -6.325 -0.699 6.306 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -5.951 3.039 8.274 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -6.421 0.558 8.588 1.00 0.00 H new ATOM 892 N CYS A 56 -6.096 2.371 0.921 1.00 0.00 N ATOM 893 CA CYS A 56 -6.183 2.018 -0.491 1.00 0.00 C ATOM 894 C CYS A 56 -4.830 2.071 -1.188 1.00 0.00 C ATOM 895 O CYS A 56 -4.025 2.974 -0.960 1.00 0.00 O ATOM 896 CB CYS A 56 -7.171 2.940 -1.206 1.00 0.00 C ATOM 897 SG CYS A 56 -7.503 2.475 -2.921 1.00 0.00 S ATOM 0 H CYS A 56 -5.525 3.190 1.129 1.00 0.00 H new ATOM 0 HA CYS A 56 -6.536 0.988 -0.541 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -8.111 2.946 -0.654 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -6.782 3.958 -1.185 1.00 0.00 H new ATOM 0 HG CYS A 56 -7.489 1.180 -3.030 1.00 0.00 H new ATOM 903 N ILE A 57 -4.604 1.088 -2.052 1.00 0.00 N ATOM 904 CA ILE A 57 -3.371 0.986 -2.819 1.00 0.00 C ATOM 905 C ILE A 57 -3.695 0.540 -4.241 1.00 0.00 C ATOM 906 O ILE A 57 -4.609 -0.256 -4.451 1.00 0.00 O ATOM 907 CB ILE A 57 -2.377 -0.014 -2.188 1.00 0.00 C ATOM 908 CG1 ILE A 57 -2.133 0.313 -0.712 1.00 0.00 C ATOM 909 CG2 ILE A 57 -1.062 -0.004 -2.952 1.00 0.00 C ATOM 910 CD1 ILE A 57 -3.300 -0.023 0.191 1.00 0.00 C ATOM 0 H ILE A 57 -5.271 0.340 -2.240 1.00 0.00 H new ATOM 0 HA ILE A 57 -2.901 1.969 -2.822 1.00 0.00 H new ATOM 0 HB ILE A 57 -2.814 -1.011 -2.249 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.253 -0.232 -0.370 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.907 1.375 -0.618 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -0.371 -0.713 -2.496 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -1.242 -0.287 -3.989 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -0.630 0.996 -2.919 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -3.051 0.237 1.220 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -4.178 0.542 -0.124 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -3.513 -1.090 0.128 1.00 0.00 H new ATOM 922 N VAL A 58 -2.961 1.061 -5.219 1.00 0.00 N ATOM 923 CA VAL A 58 -3.210 0.709 -6.612 1.00 0.00 C ATOM 924 C VAL A 58 -1.942 0.809 -7.447 1.00 0.00 C ATOM 925 O VAL A 58 -1.149 1.735 -7.285 1.00 0.00 O ATOM 926 CB VAL A 58 -4.293 1.619 -7.230 1.00 0.00 C ATOM 927 CG1 VAL A 58 -4.585 1.212 -8.668 1.00 0.00 C ATOM 928 CG2 VAL A 58 -5.561 1.582 -6.392 1.00 0.00 C ATOM 0 H VAL A 58 -2.197 1.721 -5.075 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.558 -0.324 -6.619 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.917 2.642 -7.238 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -5.351 1.867 -9.083 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -3.675 1.296 -9.262 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.938 0.181 -8.690 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -6.314 2.229 -6.842 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -5.939 0.561 -6.349 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -5.340 1.930 -5.383 1.00 0.00 H new ATOM 938 N GLY A 59 -1.759 -0.156 -8.337 1.00 0.00 N ATOM 939 CA GLY A 59 -0.587 -0.167 -9.191 1.00 0.00 C ATOM 940 C GLY A 59 -0.501 -1.428 -10.028 1.00 0.00 C ATOM 941 O GLY A 59 -1.478 -1.825 -10.663 1.00 0.00 O ATOM 0 H GLY A 59 -2.403 -0.934 -8.484 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -0.610 0.702 -9.848 1.00 0.00 H new ATOM 0 HA3 GLY A 59 0.309 -0.079 -8.577 1.00 0.00 H new ATOM 945 N ARG A 60 0.668 -2.061 -10.030 1.00 0.00 N ATOM 946 CA ARG A 60 0.869 -3.289 -10.798 1.00 0.00 C ATOM 947 C ARG A 60 2.279 -3.842 -10.604 1.00 0.00 C ATOM 948 O ARG A 60 2.883 -4.364 -11.539 1.00 0.00 O ATOM 949 CB ARG A 60 0.613 -3.027 -12.283 1.00 0.00 C ATOM 950 CG ARG A 60 1.505 -1.946 -12.871 1.00 0.00 C ATOM 951 CD ARG A 60 1.163 -1.670 -14.327 1.00 0.00 C ATOM 952 NE ARG A 60 2.012 -0.629 -14.900 1.00 0.00 N ATOM 953 CZ ARG A 60 1.892 -0.176 -16.147 1.00 0.00 C ATOM 954 NH1 ARG A 60 0.954 -0.662 -16.948 1.00 0.00 N ATOM 955 NH2 ARG A 60 2.711 0.767 -16.589 1.00 0.00 N ATOM 0 H ARG A 60 1.488 -1.747 -9.511 1.00 0.00 H new ATOM 0 HA ARG A 60 0.160 -4.032 -10.433 1.00 0.00 H new ATOM 0 HB2 ARG A 60 0.764 -3.953 -12.838 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -0.430 -2.740 -12.419 1.00 0.00 H new ATOM 0 HG2 ARG A 60 1.398 -1.029 -12.291 1.00 0.00 H new ATOM 0 HG3 ARG A 60 2.548 -2.252 -12.793 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.273 -2.587 -14.906 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.118 -1.369 -14.403 1.00 0.00 H new ATOM 0 HE ARG A 60 2.740 -0.225 -14.311 1.00 0.00 H new ATOM 0 HH11 ARG A 60 0.320 -1.386 -16.610 1.00 0.00 H new ATOM 0 HH12 ARG A 60 0.866 -0.312 -17.902 1.00 0.00 H new ATOM 0 HH21 ARG A 60 3.432 1.145 -15.975 1.00 0.00 H new ATOM 0 HH22 ARG A 60 2.620 1.115 -17.544 1.00 0.00 H new ATOM 969 N ASN A 61 2.790 -3.727 -9.380 1.00 0.00 N ATOM 970 CA ASN A 61 4.127 -4.213 -9.039 1.00 0.00 C ATOM 971 C ASN A 61 4.521 -3.737 -7.642 1.00 0.00 C ATOM 972 O ASN A 61 5.260 -2.762 -7.502 1.00 0.00 O ATOM 973 CB ASN A 61 5.162 -3.717 -10.059 1.00 0.00 C ATOM 974 CG ASN A 61 6.577 -4.212 -9.787 1.00 0.00 C ATOM 975 OD1 ASN A 61 6.730 -5.171 -8.875 1.00 0.00 O flip ATOM 976 ND2 ASN A 61 7.530 -3.748 -10.412 1.00 0.00 N flip ATOM 0 H ASN A 61 2.293 -3.297 -8.600 1.00 0.00 H new ATOM 0 HA ASN A 61 4.107 -5.303 -9.058 1.00 0.00 H new ATOM 0 HB2 ASN A 61 4.860 -4.038 -11.056 1.00 0.00 H new ATOM 0 HB3 ASN A 61 5.162 -2.627 -10.062 1.00 0.00 H new ATOM 0 HD21 ASN A 61 7.378 -3.014 -11.104 1.00 0.00 H new ATOM 0 HD22 ASN A 61 8.472 -4.097 -10.238 1.00 0.00 H new ATOM 983 N PHE A 62 4.018 -4.409 -6.609 1.00 0.00 N ATOM 984 CA PHE A 62 4.330 -4.006 -5.240 1.00 0.00 C ATOM 985 C PHE A 62 3.908 -5.044 -4.204 1.00 0.00 C ATOM 986 O PHE A 62 2.777 -5.534 -4.216 1.00 0.00 O ATOM 987 CB PHE A 62 3.634 -2.686 -4.921 1.00 0.00 C ATOM 988 CG PHE A 62 2.136 -2.804 -4.843 1.00 0.00 C ATOM 989 CD1 PHE A 62 1.398 -3.169 -5.955 1.00 0.00 C ATOM 990 CD2 PHE A 62 1.469 -2.558 -3.653 1.00 0.00 C ATOM 991 CE1 PHE A 62 0.022 -3.286 -5.887 1.00 0.00 C ATOM 992 CE2 PHE A 62 0.094 -2.674 -3.577 1.00 0.00 C ATOM 993 CZ PHE A 62 -0.631 -3.038 -4.695 1.00 0.00 C ATOM 0 H PHE A 62 3.404 -5.220 -6.690 1.00 0.00 H new ATOM 0 HA PHE A 62 5.414 -3.902 -5.184 1.00 0.00 H new ATOM 0 HB2 PHE A 62 4.011 -2.305 -3.972 1.00 0.00 H new ATOM 0 HB3 PHE A 62 3.894 -1.953 -5.685 1.00 0.00 H new ATOM 0 HD1 PHE A 62 1.904 -3.365 -6.889 1.00 0.00 H new ATOM 0 HD2 PHE A 62 2.030 -2.273 -2.775 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.541 -3.571 -6.764 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -0.414 -2.480 -2.644 1.00 0.00 H new ATOM 0 HZ PHE A 62 -1.706 -3.129 -4.637 1.00 0.00 H new ATOM 1003 N GLY A 63 4.817 -5.324 -3.279 1.00 0.00 N ATOM 1004 CA GLY A 63 4.530 -6.247 -2.195 1.00 0.00 C ATOM 1005 C GLY A 63 4.109 -5.477 -0.961 1.00 0.00 C ATOM 1006 O GLY A 63 4.618 -4.382 -0.725 1.00 0.00 O ATOM 0 H GLY A 63 5.756 -4.925 -3.260 1.00 0.00 H new ATOM 0 HA2 GLY A 63 3.739 -6.936 -2.492 1.00 0.00 H new ATOM 0 HA3 GLY A 63 5.412 -6.849 -1.975 1.00 0.00 H new ATOM 1010 N SER A 64 3.164 -6.000 -0.183 1.00 0.00 N ATOM 1011 CA SER A 64 2.711 -5.259 0.993 1.00 0.00 C ATOM 1012 C SER A 64 2.002 -6.121 2.034 1.00 0.00 C ATOM 1013 O SER A 64 1.405 -7.155 1.723 1.00 0.00 O ATOM 1014 CB SER A 64 1.779 -4.132 0.552 1.00 0.00 C ATOM 1015 OG SER A 64 2.400 -3.304 -0.415 1.00 0.00 O ATOM 0 H SER A 64 2.710 -6.901 -0.336 1.00 0.00 H new ATOM 0 HA SER A 64 3.607 -4.868 1.475 1.00 0.00 H new ATOM 0 HB2 SER A 64 0.863 -4.554 0.139 1.00 0.00 H new ATOM 0 HB3 SER A 64 1.492 -3.534 1.417 1.00 0.00 H new ATOM 0 HG SER A 64 3.369 -3.299 -0.268 1.00 0.00 H new ATOM 1021 N TYR A 65 2.063 -5.637 3.276 1.00 0.00 N ATOM 1022 CA TYR A 65 1.427 -6.280 4.421 1.00 0.00 C ATOM 1023 C TYR A 65 0.739 -5.221 5.279 1.00 0.00 C ATOM 1024 O TYR A 65 1.286 -4.141 5.501 1.00 0.00 O ATOM 1025 CB TYR A 65 2.448 -7.050 5.263 1.00 0.00 C ATOM 1026 CG TYR A 65 2.652 -8.481 4.818 1.00 0.00 C ATOM 1027 CD1 TYR A 65 3.113 -8.779 3.544 1.00 0.00 C ATOM 1028 CD2 TYR A 65 2.373 -9.536 5.678 1.00 0.00 C ATOM 1029 CE1 TYR A 65 3.292 -10.087 3.139 1.00 0.00 C ATOM 1030 CE2 TYR A 65 2.550 -10.848 5.281 1.00 0.00 C ATOM 1031 CZ TYR A 65 3.010 -11.117 4.010 1.00 0.00 C ATOM 1032 OH TYR A 65 3.187 -12.421 3.609 1.00 0.00 O ATOM 0 H TYR A 65 2.561 -4.779 3.515 1.00 0.00 H new ATOM 0 HA TYR A 65 0.690 -6.993 4.051 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.404 -6.528 5.225 1.00 0.00 H new ATOM 0 HB3 TYR A 65 2.124 -7.046 6.304 1.00 0.00 H new ATOM 0 HD1 TYR A 65 3.335 -7.975 2.858 1.00 0.00 H new ATOM 0 HD2 TYR A 65 2.012 -9.327 6.674 1.00 0.00 H new ATOM 0 HE1 TYR A 65 3.652 -10.302 2.144 1.00 0.00 H new ATOM 0 HE2 TYR A 65 2.329 -11.657 5.962 1.00 0.00 H new ATOM 0 HH TYR A 65 2.944 -13.024 4.342 1.00 0.00 H new ATOM 1042 N VAL A 66 -0.471 -5.523 5.736 1.00 0.00 N ATOM 1043 CA VAL A 66 -1.244 -4.579 6.544 1.00 0.00 C ATOM 1044 C VAL A 66 -2.256 -5.318 7.409 1.00 0.00 C ATOM 1045 O VAL A 66 -2.615 -6.444 7.107 1.00 0.00 O ATOM 1046 CB VAL A 66 -2.012 -3.590 5.643 1.00 0.00 C ATOM 1047 CG1 VAL A 66 -2.547 -2.417 6.448 1.00 0.00 C ATOM 1048 CG2 VAL A 66 -1.138 -3.099 4.497 1.00 0.00 C ATOM 0 H VAL A 66 -0.940 -6.412 5.563 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.540 -4.036 7.175 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.861 -4.124 5.217 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.084 -1.737 5.787 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.225 -2.784 7.219 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.717 -1.888 6.916 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.706 -2.404 3.879 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.260 -2.593 4.900 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.822 -3.948 3.891 1.00 0.00 H new ATOM 1058 N THR A 67 -2.724 -4.684 8.479 1.00 0.00 N ATOM 1059 CA THR A 67 -3.714 -5.304 9.358 1.00 0.00 C ATOM 1060 C THR A 67 -5.066 -4.620 9.191 1.00 0.00 C ATOM 1061 O THR A 67 -5.135 -3.467 8.764 1.00 0.00 O ATOM 1062 CB THR A 67 -3.262 -5.237 10.817 1.00 0.00 C ATOM 1063 OG1 THR A 67 -2.016 -5.889 10.986 1.00 0.00 O ATOM 1064 CG2 THR A 67 -4.243 -5.869 11.779 1.00 0.00 C ATOM 0 H THR A 67 -2.437 -3.746 8.759 1.00 0.00 H new ATOM 0 HA THR A 67 -3.812 -6.353 9.079 1.00 0.00 H new ATOM 0 HB THR A 67 -3.188 -4.174 11.046 1.00 0.00 H new ATOM 0 HG1 THR A 67 -2.027 -6.405 11.819 1.00 0.00 H new ATOM 0 HG21 THR A 67 -3.860 -5.786 12.796 1.00 0.00 H new ATOM 0 HG22 THR A 67 -5.202 -5.356 11.710 1.00 0.00 H new ATOM 0 HG23 THR A 67 -4.375 -6.921 11.525 1.00 0.00 H new ATOM 1072 N HIS A 68 -6.145 -5.337 9.497 1.00 0.00 N ATOM 1073 CA HIS A 68 -7.482 -4.780 9.336 1.00 0.00 C ATOM 1074 C HIS A 68 -8.550 -5.632 10.015 1.00 0.00 C ATOM 1075 O HIS A 68 -8.450 -6.857 10.072 1.00 0.00 O ATOM 1076 CB HIS A 68 -7.781 -4.660 7.849 1.00 0.00 C ATOM 1077 CG HIS A 68 -7.575 -5.947 7.117 1.00 0.00 C ATOM 1078 ND1 HIS A 68 -8.459 -7.002 7.186 1.00 0.00 N ATOM 1079 CD2 HIS A 68 -6.553 -6.365 6.333 1.00 0.00 C ATOM 1080 CE1 HIS A 68 -7.990 -8.012 6.476 1.00 0.00 C ATOM 1081 NE2 HIS A 68 -6.836 -7.651 5.947 1.00 0.00 N ATOM 0 H HIS A 68 -6.120 -6.292 9.853 1.00 0.00 H new ATOM 0 HA HIS A 68 -7.506 -3.801 9.815 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -8.811 -4.330 7.714 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -7.141 -3.892 7.414 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -9.338 -7.003 7.704 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -5.678 -5.793 6.062 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -8.470 -8.971 6.350 1.00 0.00 H new ATOM 1090 N GLU A 69 -9.577 -4.958 10.524 1.00 0.00 N ATOM 1091 CA GLU A 69 -10.689 -5.616 11.204 1.00 0.00 C ATOM 1092 C GLU A 69 -11.421 -6.580 10.269 1.00 0.00 C ATOM 1093 O GLU A 69 -11.391 -6.424 9.050 1.00 0.00 O ATOM 1094 CB GLU A 69 -11.658 -4.561 11.738 1.00 0.00 C ATOM 1095 CG GLU A 69 -12.873 -5.139 12.442 1.00 0.00 C ATOM 1096 CD GLU A 69 -12.505 -5.983 13.647 1.00 0.00 C ATOM 1097 OE1 GLU A 69 -11.791 -6.993 13.469 1.00 0.00 O ATOM 1098 OE2 GLU A 69 -12.931 -5.634 14.767 1.00 0.00 O ATOM 0 H GLU A 69 -9.662 -3.943 10.477 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.289 -6.198 12.034 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.125 -3.910 12.431 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -11.993 -3.938 10.909 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -13.525 -4.325 12.759 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -13.441 -5.747 11.738 1.00 0.00 H new ATOM 1105 N THR A 70 -12.074 -7.580 10.856 1.00 0.00 N ATOM 1106 CA THR A 70 -12.814 -8.580 10.089 1.00 0.00 C ATOM 1107 C THR A 70 -13.872 -7.939 9.194 1.00 0.00 C ATOM 1108 O THR A 70 -14.482 -6.932 9.555 1.00 0.00 O ATOM 1109 CB THR A 70 -13.478 -9.585 11.032 1.00 0.00 C ATOM 1110 OG1 THR A 70 -14.353 -8.926 11.931 1.00 0.00 O ATOM 1111 CG2 THR A 70 -12.491 -10.384 11.854 1.00 0.00 C ATOM 0 H THR A 70 -12.106 -7.720 11.866 1.00 0.00 H new ATOM 0 HA THR A 70 -12.098 -9.096 9.449 1.00 0.00 H new ATOM 0 HB THR A 70 -14.021 -10.272 10.383 1.00 0.00 H new ATOM 0 HG1 THR A 70 -14.769 -9.585 12.525 1.00 0.00 H new ATOM 0 HG21 THR A 70 -13.031 -11.076 12.500 1.00 0.00 H new ATOM 0 HG22 THR A 70 -11.834 -10.945 11.189 1.00 0.00 H new ATOM 0 HG23 THR A 70 -11.895 -9.707 12.466 1.00 0.00 H new ATOM 1119 N LYS A 71 -14.089 -8.543 8.026 1.00 0.00 N ATOM 1120 CA LYS A 71 -15.077 -8.055 7.065 1.00 0.00 C ATOM 1121 C LYS A 71 -14.703 -6.679 6.521 1.00 0.00 C ATOM 1122 O LYS A 71 -15.526 -6.006 5.901 1.00 0.00 O ATOM 1123 CB LYS A 71 -16.462 -7.991 7.717 1.00 0.00 C ATOM 1124 CG LYS A 71 -16.944 -9.319 8.290 1.00 0.00 C ATOM 1125 CD LYS A 71 -17.628 -10.189 7.242 1.00 0.00 C ATOM 1126 CE LYS A 71 -16.700 -10.539 6.090 1.00 0.00 C ATOM 1127 NZ LYS A 71 -17.314 -11.531 5.165 1.00 0.00 N ATOM 0 H LYS A 71 -13.589 -9.378 7.721 1.00 0.00 H new ATOM 0 HA LYS A 71 -15.096 -8.756 6.230 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -16.442 -7.249 8.516 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -17.184 -7.644 6.978 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -16.096 -9.860 8.710 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -17.638 -9.128 9.109 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -17.984 -11.106 7.711 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -18.504 -9.668 6.855 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -16.450 -9.633 5.537 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -15.766 -10.940 6.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -16.650 -11.743 4.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -17.530 -12.405 5.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -18.192 -11.139 4.768 1.00 0.00 H new ATOM 1141 N HIS A 72 -13.458 -6.269 6.741 1.00 0.00 N ATOM 1142 CA HIS A 72 -12.981 -4.977 6.260 1.00 0.00 C ATOM 1143 C HIS A 72 -11.765 -5.162 5.356 1.00 0.00 C ATOM 1144 O HIS A 72 -10.692 -4.630 5.637 1.00 0.00 O ATOM 1145 CB HIS A 72 -12.614 -4.060 7.433 1.00 0.00 C ATOM 1146 CG HIS A 72 -13.753 -3.739 8.356 1.00 0.00 C ATOM 1147 ND1 HIS A 72 -13.597 -2.979 9.498 1.00 0.00 N ATOM 1148 CD2 HIS A 72 -15.065 -4.073 8.308 1.00 0.00 C ATOM 1149 CE1 HIS A 72 -14.760 -2.864 10.111 1.00 0.00 C ATOM 1150 NE2 HIS A 72 -15.666 -3.517 9.410 1.00 0.00 N ATOM 0 H HIS A 72 -12.761 -6.813 7.249 1.00 0.00 H new ATOM 0 HA HIS A 72 -13.786 -4.513 5.690 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -11.818 -4.531 8.010 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -12.212 -3.128 7.036 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -15.548 -4.666 7.545 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -14.939 -2.326 11.030 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -16.655 -3.596 9.648 1.00 0.00 H new ATOM 1159 N PHE A 73 -11.929 -5.927 4.279 1.00 0.00 N ATOM 1160 CA PHE A 73 -10.825 -6.180 3.356 1.00 0.00 C ATOM 1161 C PHE A 73 -11.331 -6.606 1.979 1.00 0.00 C ATOM 1162 O PHE A 73 -12.288 -7.372 1.868 1.00 0.00 O ATOM 1163 CB PHE A 73 -9.893 -7.247 3.937 1.00 0.00 C ATOM 1164 CG PHE A 73 -8.806 -7.685 2.998 1.00 0.00 C ATOM 1165 CD1 PHE A 73 -7.995 -6.755 2.372 1.00 0.00 C ATOM 1166 CD2 PHE A 73 -8.593 -9.030 2.749 1.00 0.00 C ATOM 1167 CE1 PHE A 73 -6.993 -7.158 1.511 1.00 0.00 C ATOM 1168 CE2 PHE A 73 -7.591 -9.440 1.890 1.00 0.00 C ATOM 1169 CZ PHE A 73 -6.790 -8.502 1.269 1.00 0.00 C ATOM 0 H PHE A 73 -12.807 -6.379 4.025 1.00 0.00 H new ATOM 0 HA PHE A 73 -10.271 -5.250 3.229 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -9.438 -6.860 4.848 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -10.486 -8.117 4.221 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -8.147 -5.702 2.559 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -9.217 -9.768 3.232 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -6.368 -6.422 1.027 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -7.435 -10.492 1.705 1.00 0.00 H new ATOM 0 HZ PHE A 73 -6.007 -8.819 0.596 1.00 0.00 H new ATOM 1179 N ILE A 74 -10.679 -6.096 0.933 1.00 0.00 N ATOM 1180 CA ILE A 74 -11.062 -6.420 -0.436 1.00 0.00 C ATOM 1181 C ILE A 74 -9.921 -6.145 -1.413 1.00 0.00 C ATOM 1182 O ILE A 74 -9.218 -5.139 -1.301 1.00 0.00 O ATOM 1183 CB ILE A 74 -12.305 -5.616 -0.873 1.00 0.00 C ATOM 1184 CG1 ILE A 74 -12.692 -5.960 -2.314 1.00 0.00 C ATOM 1185 CG2 ILE A 74 -12.044 -4.124 -0.732 1.00 0.00 C ATOM 1186 CD1 ILE A 74 -13.902 -5.202 -2.810 1.00 0.00 C ATOM 0 H ILE A 74 -9.886 -5.459 1.010 1.00 0.00 H new ATOM 0 HA ILE A 74 -11.298 -7.484 -0.454 1.00 0.00 H new ATOM 0 HB ILE A 74 -13.137 -5.886 -0.223 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -11.847 -5.749 -2.969 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -12.889 -7.030 -2.383 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -12.929 -3.569 -1.044 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -11.817 -3.891 0.308 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -11.199 -3.842 -1.360 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -14.119 -5.495 -3.837 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -14.760 -5.432 -2.178 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -13.701 -4.131 -2.773 1.00 0.00 H new ATOM 1198 N TYR A 75 -9.750 -7.047 -2.376 1.00 0.00 N ATOM 1199 CA TYR A 75 -8.706 -6.915 -3.386 1.00 0.00 C ATOM 1200 C TYR A 75 -9.216 -7.441 -4.722 1.00 0.00 C ATOM 1201 O TYR A 75 -9.904 -8.462 -4.773 1.00 0.00 O ATOM 1202 CB TYR A 75 -7.453 -7.683 -2.959 1.00 0.00 C ATOM 1203 CG TYR A 75 -6.239 -7.406 -3.818 1.00 0.00 C ATOM 1204 CD1 TYR A 75 -6.218 -7.747 -5.166 1.00 0.00 C ATOM 1205 CD2 TYR A 75 -5.109 -6.805 -3.275 1.00 0.00 C ATOM 1206 CE1 TYR A 75 -5.106 -7.496 -5.946 1.00 0.00 C ATOM 1207 CE2 TYR A 75 -3.995 -6.552 -4.050 1.00 0.00 C ATOM 1208 CZ TYR A 75 -3.998 -6.899 -5.384 1.00 0.00 C ATOM 1209 OH TYR A 75 -2.888 -6.651 -6.158 1.00 0.00 O ATOM 0 H TYR A 75 -10.326 -7.883 -2.477 1.00 0.00 H new ATOM 0 HA TYR A 75 -8.446 -5.862 -3.492 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -7.219 -7.430 -1.925 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -7.668 -8.751 -2.985 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -7.084 -8.215 -5.610 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -5.103 -6.532 -2.230 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -5.105 -7.766 -6.992 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -3.125 -6.084 -3.613 1.00 0.00 H new ATOM 0 HH TYR A 75 -2.826 -7.325 -6.866 1.00 0.00 H new ATOM 1219 N PHE A 76 -8.899 -6.735 -5.803 1.00 0.00 N ATOM 1220 CA PHE A 76 -9.357 -7.139 -7.124 1.00 0.00 C ATOM 1221 C PHE A 76 -8.639 -6.364 -8.226 1.00 0.00 C ATOM 1222 O PHE A 76 -8.425 -5.157 -8.115 1.00 0.00 O ATOM 1223 CB PHE A 76 -10.867 -6.924 -7.232 1.00 0.00 C ATOM 1224 CG PHE A 76 -11.288 -5.498 -7.018 1.00 0.00 C ATOM 1225 CD1 PHE A 76 -11.085 -4.872 -5.797 1.00 0.00 C ATOM 1226 CD2 PHE A 76 -11.885 -4.781 -8.042 1.00 0.00 C ATOM 1227 CE1 PHE A 76 -11.469 -3.558 -5.603 1.00 0.00 C ATOM 1228 CE2 PHE A 76 -12.271 -3.468 -7.854 1.00 0.00 C ATOM 1229 CZ PHE A 76 -12.063 -2.856 -6.634 1.00 0.00 C ATOM 0 H PHE A 76 -8.332 -5.888 -5.789 1.00 0.00 H new ATOM 0 HA PHE A 76 -9.126 -8.196 -7.256 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -11.202 -7.249 -8.217 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -11.369 -7.556 -6.499 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -10.621 -5.417 -4.988 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -12.051 -5.254 -8.999 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -11.305 -3.082 -4.648 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -12.735 -2.921 -8.661 1.00 0.00 H new ATOM 0 HZ PHE A 76 -12.364 -1.830 -6.486 1.00 0.00 H new ATOM 1239 N TYR A 77 -8.278 -7.069 -9.296 1.00 0.00 N ATOM 1240 CA TYR A 77 -7.592 -6.452 -10.426 1.00 0.00 C ATOM 1241 C TYR A 77 -8.584 -5.730 -11.331 1.00 0.00 C ATOM 1242 O TYR A 77 -9.721 -6.170 -11.498 1.00 0.00 O ATOM 1243 CB TYR A 77 -6.816 -7.499 -11.231 1.00 0.00 C ATOM 1244 CG TYR A 77 -5.696 -8.166 -10.461 1.00 0.00 C ATOM 1245 CD1 TYR A 77 -5.962 -8.971 -9.360 1.00 0.00 C ATOM 1246 CD2 TYR A 77 -4.370 -7.989 -10.837 1.00 0.00 C ATOM 1247 CE1 TYR A 77 -4.940 -9.581 -8.657 1.00 0.00 C ATOM 1248 CE2 TYR A 77 -3.343 -8.596 -10.139 1.00 0.00 C ATOM 1249 CZ TYR A 77 -3.633 -9.390 -9.051 1.00 0.00 C ATOM 1250 OH TYR A 77 -2.613 -9.997 -8.354 1.00 0.00 O ATOM 0 H TYR A 77 -8.450 -8.069 -9.403 1.00 0.00 H new ATOM 0 HA TYR A 77 -6.885 -5.723 -10.029 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -7.511 -8.264 -11.576 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -6.399 -7.023 -12.119 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -6.985 -9.123 -9.048 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -4.138 -7.367 -11.689 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -5.164 -10.204 -7.804 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -2.318 -8.449 -10.445 1.00 0.00 H new ATOM 0 HH TYR A 77 -1.753 -9.762 -8.761 1.00 0.00 H new ATOM 1260 N LEU A 78 -8.146 -4.619 -11.909 1.00 0.00 N ATOM 1261 CA LEU A 78 -8.992 -3.830 -12.796 1.00 0.00 C ATOM 1262 C LEU A 78 -8.188 -2.749 -13.511 1.00 0.00 C ATOM 1263 O LEU A 78 -7.246 -2.185 -12.950 1.00 0.00 O ATOM 1264 CB LEU A 78 -10.134 -3.186 -12.007 1.00 0.00 C ATOM 1265 CG LEU A 78 -11.053 -2.276 -12.823 1.00 0.00 C ATOM 1266 CD1 LEU A 78 -11.695 -3.047 -13.965 1.00 0.00 C ATOM 1267 CD2 LEU A 78 -12.118 -1.656 -11.930 1.00 0.00 C ATOM 0 H LEU A 78 -7.207 -4.243 -11.779 1.00 0.00 H new ATOM 0 HA LEU A 78 -9.406 -4.504 -13.546 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -10.736 -3.976 -11.558 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -9.708 -2.606 -11.188 1.00 0.00 H new ATOM 0 HG LEU A 78 -10.451 -1.473 -13.249 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -12.345 -2.382 -14.533 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -10.918 -3.442 -14.620 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -12.283 -3.872 -13.562 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -12.763 -1.011 -12.527 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -12.715 -2.446 -11.474 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -11.639 -1.066 -11.148 1.00 0.00 H new ATOM 1279 N GLY A 79 -8.563 -2.468 -14.755 1.00 0.00 N ATOM 1280 CA GLY A 79 -7.873 -1.456 -15.535 1.00 0.00 C ATOM 1281 C GLY A 79 -6.388 -1.728 -15.648 1.00 0.00 C ATOM 1282 O GLY A 79 -5.571 -0.812 -15.558 1.00 0.00 O ATOM 0 H GLY A 79 -9.336 -2.925 -15.239 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -8.308 -1.411 -16.533 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -8.027 -0.480 -15.076 1.00 0.00 H new ATOM 1286 N GLN A 80 -6.038 -2.993 -15.841 1.00 0.00 N ATOM 1287 CA GLN A 80 -4.643 -3.394 -15.963 1.00 0.00 C ATOM 1288 C GLN A 80 -3.833 -2.910 -14.764 1.00 0.00 C ATOM 1289 O GLN A 80 -2.668 -2.532 -14.901 1.00 0.00 O ATOM 1290 CB GLN A 80 -4.038 -2.844 -17.257 1.00 0.00 C ATOM 1291 CG GLN A 80 -4.691 -3.384 -18.520 1.00 0.00 C ATOM 1292 CD GLN A 80 -6.150 -2.989 -18.641 1.00 0.00 C ATOM 1293 OE1 GLN A 80 -6.483 -1.806 -18.693 1.00 0.00 O ATOM 1294 NE2 GLN A 80 -7.030 -3.983 -18.686 1.00 0.00 N ATOM 0 H GLN A 80 -6.704 -3.762 -15.917 1.00 0.00 H new ATOM 0 HA GLN A 80 -4.607 -4.483 -15.991 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -4.122 -1.757 -17.253 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -2.974 -3.082 -17.279 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -4.147 -3.018 -19.390 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -4.612 -4.471 -18.529 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -6.710 -4.950 -18.640 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -8.026 -3.779 -18.767 1.00 0.00 H new ATOM 1303 N VAL A 81 -4.457 -2.927 -13.589 1.00 0.00 N ATOM 1304 CA VAL A 81 -3.796 -2.490 -12.364 1.00 0.00 C ATOM 1305 C VAL A 81 -4.479 -3.079 -11.135 1.00 0.00 C ATOM 1306 O VAL A 81 -5.705 -3.071 -11.030 1.00 0.00 O ATOM 1307 CB VAL A 81 -3.785 -0.953 -12.241 1.00 0.00 C ATOM 1308 CG1 VAL A 81 -2.981 -0.329 -13.372 1.00 0.00 C ATOM 1309 CG2 VAL A 81 -5.206 -0.405 -12.226 1.00 0.00 C ATOM 0 H VAL A 81 -5.420 -3.239 -13.460 1.00 0.00 H new ATOM 0 HA VAL A 81 -2.768 -2.848 -12.417 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.307 -0.690 -11.297 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.986 0.756 -13.266 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -1.954 -0.693 -13.332 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.426 -0.602 -14.329 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.176 0.681 -12.139 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -5.712 -0.681 -13.151 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -5.748 -0.823 -11.377 1.00 0.00 H new ATOM 1319 N ALA A 82 -3.675 -3.590 -10.209 1.00 0.00 N ATOM 1320 CA ALA A 82 -4.199 -4.184 -8.987 1.00 0.00 C ATOM 1321 C ALA A 82 -4.791 -3.119 -8.072 1.00 0.00 C ATOM 1322 O ALA A 82 -4.157 -2.099 -7.797 1.00 0.00 O ATOM 1323 CB ALA A 82 -3.103 -4.956 -8.267 1.00 0.00 C ATOM 0 H ALA A 82 -2.658 -3.604 -10.282 1.00 0.00 H new ATOM 0 HA ALA A 82 -4.997 -4.876 -9.258 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -3.507 -5.396 -7.355 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -2.729 -5.747 -8.916 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -2.287 -4.279 -8.013 1.00 0.00 H new ATOM 1329 N ILE A 83 -6.008 -3.364 -7.600 1.00 0.00 N ATOM 1330 CA ILE A 83 -6.688 -2.430 -6.713 1.00 0.00 C ATOM 1331 C ILE A 83 -6.849 -3.030 -5.319 1.00 0.00 C ATOM 1332 O ILE A 83 -7.173 -4.209 -5.175 1.00 0.00 O ATOM 1333 CB ILE A 83 -8.073 -2.036 -7.265 1.00 0.00 C ATOM 1334 CG1 ILE A 83 -7.932 -1.440 -8.666 1.00 0.00 C ATOM 1335 CG2 ILE A 83 -8.762 -1.050 -6.330 1.00 0.00 C ATOM 1336 CD1 ILE A 83 -9.252 -1.033 -9.286 1.00 0.00 C ATOM 0 H ILE A 83 -6.544 -4.204 -7.818 1.00 0.00 H new ATOM 0 HA ILE A 83 -6.070 -1.534 -6.651 1.00 0.00 H new ATOM 0 HB ILE A 83 -8.690 -2.932 -7.329 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -7.279 -0.569 -8.617 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -7.444 -2.168 -9.314 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -9.738 -0.784 -6.737 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -8.890 -1.508 -5.349 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -8.152 -0.152 -6.234 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -9.075 -0.619 -10.279 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -9.900 -1.906 -9.367 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -9.732 -0.281 -8.659 1.00 0.00 H new ATOM 1348 N LEU A 84 -6.620 -2.212 -4.298 1.00 0.00 N ATOM 1349 CA LEU A 84 -6.737 -2.669 -2.918 1.00 0.00 C ATOM 1350 C LEU A 84 -7.516 -1.666 -2.074 1.00 0.00 C ATOM 1351 O LEU A 84 -7.337 -0.455 -2.204 1.00 0.00 O ATOM 1352 CB LEU A 84 -5.348 -2.890 -2.315 1.00 0.00 C ATOM 1353 CG LEU A 84 -5.341 -3.366 -0.861 1.00 0.00 C ATOM 1354 CD1 LEU A 84 -6.049 -4.707 -0.732 1.00 0.00 C ATOM 1355 CD2 LEU A 84 -3.915 -3.459 -0.338 1.00 0.00 C ATOM 0 H LEU A 84 -6.353 -1.233 -4.399 1.00 0.00 H new ATOM 0 HA LEU A 84 -7.282 -3.613 -2.919 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.817 -3.622 -2.923 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.789 -1.957 -2.378 1.00 0.00 H new ATOM 0 HG LEU A 84 -5.881 -2.636 -0.258 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -6.033 -5.028 0.310 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -7.082 -4.607 -1.065 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.540 -5.448 -1.348 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.929 -3.799 0.698 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.350 -4.167 -0.945 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.443 -2.478 -0.392 1.00 0.00 H new ATOM 1367 N LEU A 85 -8.381 -2.184 -1.206 1.00 0.00 N ATOM 1368 CA LEU A 85 -9.190 -1.342 -0.332 1.00 0.00 C ATOM 1369 C LEU A 85 -9.592 -2.115 0.915 1.00 0.00 C ATOM 1370 O LEU A 85 -9.961 -3.288 0.837 1.00 0.00 O ATOM 1371 CB LEU A 85 -10.437 -0.848 -1.068 1.00 0.00 C ATOM 1372 CG LEU A 85 -11.343 0.076 -0.251 1.00 0.00 C ATOM 1373 CD1 LEU A 85 -10.590 1.330 0.162 1.00 0.00 C ATOM 1374 CD2 LEU A 85 -12.590 0.436 -1.045 1.00 0.00 C ATOM 0 H LEU A 85 -8.539 -3.185 -1.090 1.00 0.00 H new ATOM 0 HA LEU A 85 -8.595 -0.478 -0.037 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -10.124 -0.322 -1.970 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -11.018 -1.712 -1.389 1.00 0.00 H new ATOM 0 HG LEU A 85 -11.651 -0.451 0.652 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -11.249 1.976 0.742 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -9.727 1.053 0.768 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -10.253 1.861 -0.728 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -13.223 1.093 -0.449 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -12.301 0.945 -1.965 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -13.140 -0.473 -1.291 1.00 0.00 H new ATOM 1386 N PHE A 86 -9.501 -1.464 2.069 1.00 0.00 N ATOM 1387 CA PHE A 86 -9.842 -2.110 3.327 1.00 0.00 C ATOM 1388 C PHE A 86 -9.772 -1.130 4.492 1.00 0.00 C ATOM 1389 O PHE A 86 -8.764 -0.452 4.683 1.00 0.00 O ATOM 1390 CB PHE A 86 -8.892 -3.284 3.574 1.00 0.00 C ATOM 1391 CG PHE A 86 -7.445 -2.890 3.664 1.00 0.00 C ATOM 1392 CD1 PHE A 86 -6.780 -2.354 2.572 1.00 0.00 C ATOM 1393 CD2 PHE A 86 -6.749 -3.059 4.847 1.00 0.00 C ATOM 1394 CE1 PHE A 86 -5.448 -1.997 2.661 1.00 0.00 C ATOM 1395 CE2 PHE A 86 -5.418 -2.704 4.943 1.00 0.00 C ATOM 1396 CZ PHE A 86 -4.766 -2.172 3.849 1.00 0.00 C ATOM 0 H PHE A 86 -9.196 -0.495 2.158 1.00 0.00 H new ATOM 0 HA PHE A 86 -10.867 -2.474 3.258 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -9.180 -3.783 4.499 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -9.011 -4.010 2.770 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -7.309 -2.214 1.641 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -7.253 -3.474 5.707 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -4.941 -1.582 1.803 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -4.888 -2.843 5.873 1.00 0.00 H new ATOM 0 HZ PHE A 86 -3.725 -1.893 3.922 1.00 0.00 H new ATOM 1406 N LYS A 87 -10.851 -1.057 5.268 1.00 0.00 N ATOM 1407 CA LYS A 87 -10.901 -0.152 6.411 1.00 0.00 C ATOM 1408 C LYS A 87 -10.523 -0.856 7.707 1.00 0.00 C ATOM 1409 O LYS A 87 -10.390 -2.079 7.752 1.00 0.00 O ATOM 1410 CB LYS A 87 -12.284 0.482 6.557 1.00 0.00 C ATOM 1411 CG LYS A 87 -13.389 -0.509 6.879 1.00 0.00 C ATOM 1412 CD LYS A 87 -14.684 0.208 7.227 1.00 0.00 C ATOM 1413 CE LYS A 87 -15.816 -0.772 7.480 1.00 0.00 C ATOM 1414 NZ LYS A 87 -17.085 -0.075 7.826 1.00 0.00 N ATOM 0 H LYS A 87 -11.696 -1.610 5.127 1.00 0.00 H new ATOM 0 HA LYS A 87 -10.170 0.633 6.219 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -12.245 1.235 7.344 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -12.534 1.000 5.631 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -13.552 -1.167 6.025 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -13.084 -1.140 7.714 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -14.532 0.825 8.112 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -14.959 0.880 6.413 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -15.969 -1.387 6.593 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -15.539 -1.446 8.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -17.717 -0.732 8.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -16.878 0.740 8.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -17.548 0.255 6.955 1.00 0.00 H new ATOM 1428 N SER A 88 -10.350 -0.063 8.758 1.00 0.00 N ATOM 1429 CA SER A 88 -9.984 -0.589 10.067 1.00 0.00 C ATOM 1430 C SER A 88 -10.539 0.293 11.179 1.00 0.00 C ATOM 1431 O SER A 88 -10.469 1.520 11.107 1.00 0.00 O ATOM 1432 CB SER A 88 -8.464 -0.677 10.189 1.00 0.00 C ATOM 1433 OG SER A 88 -8.081 -1.202 11.447 1.00 0.00 O ATOM 0 H SER A 88 -10.458 0.951 8.728 1.00 0.00 H new ATOM 0 HA SER A 88 -10.413 -1.586 10.167 1.00 0.00 H new ATOM 0 HB2 SER A 88 -8.069 -1.308 9.393 1.00 0.00 H new ATOM 0 HB3 SER A 88 -8.028 0.313 10.057 1.00 0.00 H new ATOM 0 HG SER A 88 -7.103 -1.249 11.498 1.00 0.00 H new ATOM 1536 N ALA B 6 19.426 3.431 2.995 1.00 0.00 N ATOM 1537 CA ALA B 6 18.039 3.830 2.780 1.00 0.00 C ATOM 1538 C ALA B 6 17.863 5.338 2.923 1.00 0.00 C ATOM 1539 O ALA B 6 18.253 5.924 3.932 1.00 0.00 O ATOM 1540 CB ALA B 6 17.126 3.101 3.754 1.00 0.00 C ATOM 0 HA ALA B 6 17.767 3.557 1.760 1.00 0.00 H new ATOM 0 HB1 ALA B 6 16.094 3.407 3.584 1.00 0.00 H new ATOM 0 HB2 ALA B 6 17.215 2.025 3.601 1.00 0.00 H new ATOM 0 HB3 ALA B 6 17.414 3.347 4.776 1.00 0.00 H new ATOM 1546 N VAL B 7 17.267 5.963 1.910 1.00 0.00 N ATOM 1547 CA VAL B 7 17.036 7.394 1.930 1.00 0.00 C ATOM 1548 C VAL B 7 15.637 7.731 2.427 1.00 0.00 C ATOM 1549 O VAL B 7 14.654 7.106 2.029 1.00 0.00 O ATOM 1550 CB VAL B 7 17.230 8.012 0.546 1.00 0.00 C ATOM 1551 CG1 VAL B 7 18.686 7.920 0.114 1.00 0.00 C ATOM 1552 CG2 VAL B 7 16.319 7.344 -0.474 1.00 0.00 C ATOM 0 H VAL B 7 16.937 5.494 1.066 1.00 0.00 H new ATOM 0 HA VAL B 7 17.770 7.813 2.618 1.00 0.00 H new ATOM 0 HB VAL B 7 16.960 9.067 0.602 1.00 0.00 H new ATOM 0 HG11 VAL B 7 18.801 8.366 -0.874 1.00 0.00 H new ATOM 0 HG12 VAL B 7 19.312 8.454 0.829 1.00 0.00 H new ATOM 0 HG13 VAL B 7 18.989 6.874 0.077 1.00 0.00 H new ATOM 0 HG21 VAL B 7 16.473 7.799 -1.452 1.00 0.00 H new ATOM 0 HG22 VAL B 7 16.551 6.280 -0.528 1.00 0.00 H new ATOM 0 HG23 VAL B 7 15.279 7.474 -0.173 1.00 0.00 H new ATOM 1562 N ILE B 8 15.558 8.734 3.290 1.00 0.00 N ATOM 1563 CA ILE B 8 14.286 9.175 3.852 1.00 0.00 C ATOM 1564 C ILE B 8 13.547 10.103 2.889 1.00 0.00 C ATOM 1565 O ILE B 8 14.168 10.847 2.129 1.00 0.00 O ATOM 1566 CB ILE B 8 14.477 9.888 5.211 1.00 0.00 C ATOM 1567 CG1 ILE B 8 15.041 8.917 6.254 1.00 0.00 C ATOM 1568 CG2 ILE B 8 13.162 10.479 5.702 1.00 0.00 C ATOM 1569 CD1 ILE B 8 16.414 8.380 5.912 1.00 0.00 C ATOM 0 H ILE B 8 16.366 9.262 3.619 1.00 0.00 H new ATOM 0 HA ILE B 8 13.687 8.278 4.012 1.00 0.00 H new ATOM 0 HB ILE B 8 15.189 10.701 5.068 1.00 0.00 H new ATOM 0 HG12 ILE B 8 15.089 9.423 7.218 1.00 0.00 H new ATOM 0 HG13 ILE B 8 14.352 8.080 6.367 1.00 0.00 H new ATOM 0 HG21 ILE B 8 13.321 10.975 6.659 1.00 0.00 H new ATOM 0 HG22 ILE B 8 12.794 11.203 4.975 1.00 0.00 H new ATOM 0 HG23 ILE B 8 12.428 9.682 5.824 1.00 0.00 H new ATOM 0 HD11 ILE B 8 16.745 7.700 6.697 1.00 0.00 H new ATOM 0 HD12 ILE B 8 16.369 7.844 4.964 1.00 0.00 H new ATOM 0 HD13 ILE B 8 17.118 9.208 5.828 1.00 0.00 H new ATOM 1581 N LYS B 9 12.219 10.051 2.928 1.00 0.00 N ATOM 1582 CA LYS B 9 11.393 10.885 2.060 1.00 0.00 C ATOM 1583 C LYS B 9 10.204 11.469 2.818 1.00 0.00 C ATOM 1584 O LYS B 9 9.858 12.638 2.637 1.00 0.00 O ATOM 1585 CB LYS B 9 10.901 10.075 0.859 1.00 0.00 C ATOM 1586 CG LYS B 9 12.021 9.582 -0.041 1.00 0.00 C ATOM 1587 CD LYS B 9 12.805 10.739 -0.636 1.00 0.00 C ATOM 1588 CE LYS B 9 13.931 10.248 -1.532 1.00 0.00 C ATOM 1589 NZ LYS B 9 13.422 9.432 -2.669 1.00 0.00 N ATOM 0 H LYS B 9 11.691 9.440 3.551 1.00 0.00 H new ATOM 0 HA LYS B 9 12.009 11.712 1.707 1.00 0.00 H new ATOM 0 HB2 LYS B 9 10.331 9.218 1.218 1.00 0.00 H new ATOM 0 HB3 LYS B 9 10.218 10.689 0.272 1.00 0.00 H new ATOM 0 HG2 LYS B 9 12.693 8.941 0.530 1.00 0.00 H new ATOM 0 HG3 LYS B 9 11.604 8.973 -0.843 1.00 0.00 H new ATOM 0 HD2 LYS B 9 12.134 11.377 -1.211 1.00 0.00 H new ATOM 0 HD3 LYS B 9 13.218 11.351 0.166 1.00 0.00 H new ATOM 0 HE2 LYS B 9 14.486 11.103 -1.919 1.00 0.00 H new ATOM 0 HE3 LYS B 9 14.630 9.654 -0.943 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 14.189 9.274 -3.353 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 13.081 8.516 -2.314 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 12.640 9.935 -3.135 1.00 0.00 H new ATOM 1603 N ASN B 10 9.578 10.659 3.667 1.00 0.00 N ATOM 1604 CA ASN B 10 8.428 11.111 4.446 1.00 0.00 C ATOM 1605 C ASN B 10 8.639 10.857 5.936 1.00 0.00 C ATOM 1606 O ASN B 10 7.798 10.251 6.601 1.00 0.00 O ATOM 1607 CB ASN B 10 7.149 10.415 3.970 1.00 0.00 C ATOM 1608 CG ASN B 10 6.833 10.721 2.518 1.00 0.00 C ATOM 1609 OD1 ASN B 10 6.728 9.679 1.701 1.00 0.00 O flip ATOM 1610 ND2 ASN B 10 6.679 11.881 2.135 1.00 0.00 N flip ATOM 0 H ASN B 10 9.846 9.689 3.833 1.00 0.00 H new ATOM 0 HA ASN B 10 8.323 12.185 4.293 1.00 0.00 H new ATOM 0 HB2 ASN B 10 7.255 9.338 4.097 1.00 0.00 H new ATOM 0 HB3 ASN B 10 6.313 10.729 4.595 1.00 0.00 H new ATOM 0 HD21 ASN B 10 6.769 12.653 2.796 1.00 0.00 H new ATOM 0 HD22 ASN B 10 6.462 12.070 1.157 1.00 0.00 H new ATOM 1617 N ALA B 11 9.769 11.328 6.455 1.00 0.00 N ATOM 1618 CA ALA B 11 10.094 11.158 7.866 1.00 0.00 C ATOM 1619 C ALA B 11 9.021 11.771 8.760 1.00 0.00 C ATOM 1620 O ALA B 11 8.531 12.870 8.499 1.00 0.00 O ATOM 1621 CB ALA B 11 11.455 11.767 8.171 1.00 0.00 C ATOM 0 H ALA B 11 10.475 11.831 5.918 1.00 0.00 H new ATOM 0 HA ALA B 11 10.131 10.089 8.077 1.00 0.00 H new ATOM 0 HB1 ALA B 11 11.685 11.633 9.228 1.00 0.00 H new ATOM 0 HB2 ALA B 11 12.218 11.274 7.568 1.00 0.00 H new ATOM 0 HB3 ALA B 11 11.438 12.831 7.935 1.00 0.00 H new ATOM 1627 N ASP B 12 8.659 11.050 9.817 1.00 0.00 N ATOM 1628 CA ASP B 12 7.642 11.512 10.756 1.00 0.00 C ATOM 1629 C ASP B 12 7.457 10.498 11.882 1.00 0.00 C ATOM 1630 O ASP B 12 6.384 9.915 12.038 1.00 0.00 O ATOM 1631 CB ASP B 12 6.315 11.748 10.032 1.00 0.00 C ATOM 1632 CG ASP B 12 5.222 12.236 10.964 1.00 0.00 C ATOM 1633 OD1 ASP B 12 5.400 13.310 11.577 1.00 0.00 O ATOM 1634 OD2 ASP B 12 4.188 11.545 11.083 1.00 0.00 O ATOM 0 H ASP B 12 9.057 10.139 10.045 1.00 0.00 H new ATOM 0 HA ASP B 12 7.975 12.455 11.189 1.00 0.00 H new ATOM 0 HB2 ASP B 12 6.464 12.479 9.238 1.00 0.00 H new ATOM 0 HB3 ASP B 12 5.995 10.821 9.556 1.00 0.00 H new ATOM 1639 N MET B 13 8.518 10.282 12.653 1.00 0.00 N ATOM 1640 CA MET B 13 8.482 9.326 13.755 1.00 0.00 C ATOM 1641 C MET B 13 9.794 9.351 14.535 1.00 0.00 C ATOM 1642 O MET B 13 10.822 9.797 14.025 1.00 0.00 O ATOM 1643 CB MET B 13 8.215 7.917 13.219 1.00 0.00 C ATOM 1644 CG MET B 13 8.101 6.861 14.306 1.00 0.00 C ATOM 1645 SD MET B 13 7.835 5.204 13.643 1.00 0.00 S ATOM 1646 CE MET B 13 6.247 5.399 12.837 1.00 0.00 C ATOM 0 H MET B 13 9.414 10.756 12.535 1.00 0.00 H new ATOM 0 HA MET B 13 7.675 9.609 14.431 1.00 0.00 H new ATOM 0 HB2 MET B 13 7.293 7.928 12.637 1.00 0.00 H new ATOM 0 HB3 MET B 13 9.019 7.639 12.537 1.00 0.00 H new ATOM 0 HG2 MET B 13 9.010 6.865 14.908 1.00 0.00 H new ATOM 0 HG3 MET B 13 7.277 7.118 14.971 1.00 0.00 H new ATOM 0 HE1 MET B 13 6.172 4.697 12.007 1.00 0.00 H new ATOM 0 HE2 MET B 13 5.449 5.201 13.553 1.00 0.00 H new ATOM 0 HE3 MET B 13 6.153 6.418 12.461 1.00 0.00 H new ATOM 1656 N SER B 14 9.750 8.876 15.779 1.00 0.00 N ATOM 1657 CA SER B 14 10.931 8.845 16.641 1.00 0.00 C ATOM 1658 C SER B 14 12.161 8.332 15.891 1.00 0.00 C ATOM 1659 O SER B 14 12.068 7.408 15.083 1.00 0.00 O ATOM 1660 CB SER B 14 10.669 7.969 17.866 1.00 0.00 C ATOM 1661 OG SER B 14 9.580 8.468 18.627 1.00 0.00 O ATOM 0 H SER B 14 8.905 8.506 16.214 1.00 0.00 H new ATOM 0 HA SER B 14 11.132 9.867 16.962 1.00 0.00 H new ATOM 0 HB2 SER B 14 10.457 6.948 17.548 1.00 0.00 H new ATOM 0 HB3 SER B 14 11.564 7.930 18.487 1.00 0.00 H new ATOM 0 HG SER B 14 9.431 7.889 19.404 1.00 0.00 H new ATOM 1667 N GLU B 15 13.309 8.947 16.166 1.00 0.00 N ATOM 1668 CA GLU B 15 14.566 8.572 15.520 1.00 0.00 C ATOM 1669 C GLU B 15 14.827 7.075 15.621 1.00 0.00 C ATOM 1670 O GLU B 15 15.169 6.428 14.633 1.00 0.00 O ATOM 1671 CB GLU B 15 15.730 9.341 16.146 1.00 0.00 C ATOM 1672 CG GLU B 15 15.600 10.850 16.018 1.00 0.00 C ATOM 1673 CD GLU B 15 16.767 11.591 16.641 1.00 0.00 C ATOM 1674 OE1 GLU B 15 17.914 11.370 16.200 1.00 0.00 O ATOM 1675 OE2 GLU B 15 16.532 12.393 17.571 1.00 0.00 O ATOM 0 H GLU B 15 13.395 9.712 16.836 1.00 0.00 H new ATOM 0 HA GLU B 15 14.482 8.829 14.464 1.00 0.00 H new ATOM 0 HB2 GLU B 15 15.802 9.079 17.202 1.00 0.00 H new ATOM 0 HB3 GLU B 15 16.660 9.023 15.675 1.00 0.00 H new ATOM 0 HG2 GLU B 15 15.527 11.116 14.964 1.00 0.00 H new ATOM 0 HG3 GLU B 15 14.674 11.173 16.494 1.00 0.00 H new ATOM 1682 N GLU B 16 14.670 6.535 16.822 1.00 0.00 N ATOM 1683 CA GLU B 16 14.898 5.113 17.057 1.00 0.00 C ATOM 1684 C GLU B 16 14.013 4.250 16.168 1.00 0.00 C ATOM 1685 O GLU B 16 14.474 3.268 15.587 1.00 0.00 O ATOM 1686 CB GLU B 16 14.651 4.772 18.528 1.00 0.00 C ATOM 1687 CG GLU B 16 13.238 5.081 18.995 1.00 0.00 C ATOM 1688 CD GLU B 16 13.021 4.739 20.457 1.00 0.00 C ATOM 1689 OE1 GLU B 16 13.182 3.555 20.821 1.00 0.00 O ATOM 1690 OE2 GLU B 16 12.691 5.656 21.238 1.00 0.00 O ATOM 0 H GLU B 16 14.386 7.059 17.650 1.00 0.00 H new ATOM 0 HA GLU B 16 15.937 4.899 16.807 1.00 0.00 H new ATOM 0 HB2 GLU B 16 14.853 3.713 18.686 1.00 0.00 H new ATOM 0 HB3 GLU B 16 15.358 5.327 19.145 1.00 0.00 H new ATOM 0 HG2 GLU B 16 13.030 6.140 18.838 1.00 0.00 H new ATOM 0 HG3 GLU B 16 12.527 4.523 18.385 1.00 0.00 H new ATOM 1697 N MET B 17 12.742 4.613 16.066 1.00 0.00 N ATOM 1698 CA MET B 17 11.808 3.857 15.249 1.00 0.00 C ATOM 1699 C MET B 17 12.200 3.906 13.778 1.00 0.00 C ATOM 1700 O MET B 17 12.206 2.882 13.095 1.00 0.00 O ATOM 1701 CB MET B 17 10.385 4.387 15.432 1.00 0.00 C ATOM 1702 CG MET B 17 9.907 4.360 16.875 1.00 0.00 C ATOM 1703 SD MET B 17 8.229 4.991 17.061 1.00 0.00 S ATOM 1704 CE MET B 17 8.000 4.830 18.830 1.00 0.00 C ATOM 0 H MET B 17 12.337 5.422 16.537 1.00 0.00 H new ATOM 0 HA MET B 17 11.843 2.818 15.577 1.00 0.00 H new ATOM 0 HB2 MET B 17 10.337 5.411 15.061 1.00 0.00 H new ATOM 0 HB3 MET B 17 9.704 3.794 14.821 1.00 0.00 H new ATOM 0 HG2 MET B 17 9.950 3.337 17.249 1.00 0.00 H new ATOM 0 HG3 MET B 17 10.584 4.953 17.489 1.00 0.00 H new ATOM 0 HE1 MET B 17 6.949 4.638 19.045 1.00 0.00 H new ATOM 0 HE2 MET B 17 8.603 4.002 19.201 1.00 0.00 H new ATOM 0 HE3 MET B 17 8.308 5.752 19.322 1.00 0.00 H new ATOM 1714 N GLN B 18 12.524 5.098 13.292 1.00 0.00 N ATOM 1715 CA GLN B 18 12.912 5.261 11.898 1.00 0.00 C ATOM 1716 C GLN B 18 14.236 4.568 11.602 1.00 0.00 C ATOM 1717 O GLN B 18 14.397 3.961 10.542 1.00 0.00 O ATOM 1718 CB GLN B 18 12.984 6.741 11.522 1.00 0.00 C ATOM 1719 CG GLN B 18 13.874 7.567 12.430 1.00 0.00 C ATOM 1720 CD GLN B 18 13.822 9.042 12.090 1.00 0.00 C ATOM 1721 OE1 GLN B 18 13.178 9.819 12.952 1.00 0.00 O flip ATOM 1722 NE2 GLN B 18 14.331 9.473 11.057 1.00 0.00 N flip ATOM 0 H GLN B 18 12.526 5.959 13.838 1.00 0.00 H new ATOM 0 HA GLN B 18 12.144 4.787 11.287 1.00 0.00 H new ATOM 0 HB2 GLN B 18 13.347 6.828 10.498 1.00 0.00 H new ATOM 0 HB3 GLN B 18 11.977 7.159 11.539 1.00 0.00 H new ATOM 0 HG2 GLN B 18 13.567 7.423 13.466 1.00 0.00 H new ATOM 0 HG3 GLN B 18 14.902 7.213 12.350 1.00 0.00 H new ATOM 0 HE21 GLN B 18 14.816 8.837 10.424 1.00 0.00 H new ATOM 0 HE22 GLN B 18 14.268 10.466 10.833 1.00 0.00 H new ATOM 1731 N GLN B 19 15.181 4.646 12.531 1.00 0.00 N ATOM 1732 CA GLN B 19 16.472 4.002 12.331 1.00 0.00 C ATOM 1733 C GLN B 19 16.333 2.491 12.465 1.00 0.00 C ATOM 1734 O GLN B 19 16.989 1.731 11.752 1.00 0.00 O ATOM 1735 CB GLN B 19 17.519 4.536 13.313 1.00 0.00 C ATOM 1736 CG GLN B 19 17.224 4.223 14.767 1.00 0.00 C ATOM 1737 CD GLN B 19 18.335 4.677 15.692 1.00 0.00 C ATOM 1738 OE1 GLN B 19 18.080 5.731 16.462 1.00 0.00 O flip ATOM 1739 NE2 GLN B 19 19.424 4.103 15.700 1.00 0.00 N flip ATOM 0 H GLN B 19 15.080 5.141 13.417 1.00 0.00 H new ATOM 0 HA GLN B 19 16.814 4.236 11.323 1.00 0.00 H new ATOM 0 HB2 GLN B 19 18.491 4.118 13.053 1.00 0.00 H new ATOM 0 HB3 GLN B 19 17.595 5.617 13.194 1.00 0.00 H new ATOM 0 HG2 GLN B 19 16.292 4.707 15.058 1.00 0.00 H new ATOM 0 HG3 GLN B 19 17.075 3.149 14.882 1.00 0.00 H new ATOM 0 HE21 GLN B 19 19.580 3.297 15.094 1.00 0.00 H new ATOM 0 HE22 GLN B 19 20.170 4.433 16.312 1.00 0.00 H new ATOM 1748 N ASP B 20 15.465 2.062 13.377 1.00 0.00 N ATOM 1749 CA ASP B 20 15.229 0.639 13.594 1.00 0.00 C ATOM 1750 C ASP B 20 14.508 0.030 12.403 1.00 0.00 C ATOM 1751 O ASP B 20 14.780 -1.105 12.017 1.00 0.00 O ATOM 1752 CB ASP B 20 14.417 0.420 14.873 1.00 0.00 C ATOM 1753 CG ASP B 20 14.169 -1.050 15.162 1.00 0.00 C ATOM 1754 OD1 ASP B 20 14.629 -1.899 14.369 1.00 0.00 O ATOM 1755 OD2 ASP B 20 13.512 -1.351 16.182 1.00 0.00 O ATOM 0 H ASP B 20 14.915 2.678 13.976 1.00 0.00 H new ATOM 0 HA ASP B 20 16.194 0.145 13.705 1.00 0.00 H new ATOM 0 HB2 ASP B 20 14.944 0.868 15.715 1.00 0.00 H new ATOM 0 HB3 ASP B 20 13.461 0.936 14.785 1.00 0.00 H new ATOM 1760 N SER B 21 13.594 0.791 11.817 1.00 0.00 N ATOM 1761 CA SER B 21 12.848 0.323 10.659 1.00 0.00 C ATOM 1762 C SER B 21 13.773 0.182 9.459 1.00 0.00 C ATOM 1763 O SER B 21 13.705 -0.798 8.717 1.00 0.00 O ATOM 1764 CB SER B 21 11.703 1.284 10.332 1.00 0.00 C ATOM 1765 OG SER B 21 10.793 1.379 11.412 1.00 0.00 O ATOM 0 H SER B 21 13.352 1.733 12.124 1.00 0.00 H new ATOM 0 HA SER B 21 12.424 -0.653 10.894 1.00 0.00 H new ATOM 0 HB2 SER B 21 12.106 2.271 10.104 1.00 0.00 H new ATOM 0 HB3 SER B 21 11.179 0.940 9.440 1.00 0.00 H new ATOM 0 HG SER B 21 11.256 1.734 12.200 1.00 0.00 H new ATOM 1771 N VAL B 22 14.645 1.169 9.279 1.00 0.00 N ATOM 1772 CA VAL B 22 15.594 1.155 8.175 1.00 0.00 C ATOM 1773 C VAL B 22 16.554 -0.019 8.307 1.00 0.00 C ATOM 1774 O VAL B 22 16.787 -0.754 7.348 1.00 0.00 O ATOM 1775 CB VAL B 22 16.396 2.469 8.105 1.00 0.00 C ATOM 1776 CG1 VAL B 22 17.356 2.456 6.925 1.00 0.00 C ATOM 1777 CG2 VAL B 22 15.457 3.663 8.022 1.00 0.00 C ATOM 0 H VAL B 22 14.713 1.987 9.884 1.00 0.00 H new ATOM 0 HA VAL B 22 15.019 1.050 7.255 1.00 0.00 H new ATOM 0 HB VAL B 22 16.985 2.558 9.018 1.00 0.00 H new ATOM 0 HG11 VAL B 22 17.911 3.394 6.897 1.00 0.00 H new ATOM 0 HG12 VAL B 22 18.053 1.625 7.032 1.00 0.00 H new ATOM 0 HG13 VAL B 22 16.793 2.340 5.999 1.00 0.00 H new ATOM 0 HG21 VAL B 22 16.041 4.582 7.973 1.00 0.00 H new ATOM 0 HG22 VAL B 22 14.839 3.578 7.128 1.00 0.00 H new ATOM 0 HG23 VAL B 22 14.818 3.685 8.905 1.00 0.00 H new ATOM 1787 N GLU B 23 17.097 -0.196 9.503 1.00 0.00 N ATOM 1788 CA GLU B 23 18.018 -1.295 9.760 1.00 0.00 C ATOM 1789 C GLU B 23 17.270 -2.616 9.699 1.00 0.00 C ATOM 1790 O GLU B 23 17.744 -3.590 9.114 1.00 0.00 O ATOM 1791 CB GLU B 23 18.687 -1.132 11.125 1.00 0.00 C ATOM 1792 CG GLU B 23 17.715 -1.212 12.288 1.00 0.00 C ATOM 1793 CD GLU B 23 18.390 -0.992 13.628 1.00 0.00 C ATOM 1794 OE1 GLU B 23 18.976 0.093 13.825 1.00 0.00 O ATOM 1795 OE2 GLU B 23 18.331 -1.903 14.479 1.00 0.00 O ATOM 0 H GLU B 23 16.917 0.404 10.308 1.00 0.00 H new ATOM 0 HA GLU B 23 18.795 -1.285 8.995 1.00 0.00 H new ATOM 0 HB2 GLU B 23 19.447 -1.904 11.243 1.00 0.00 H new ATOM 0 HB3 GLU B 23 19.201 -0.171 11.157 1.00 0.00 H new ATOM 0 HG2 GLU B 23 16.931 -0.467 12.153 1.00 0.00 H new ATOM 0 HG3 GLU B 23 17.230 -2.188 12.285 1.00 0.00 H new ATOM 1802 N CYS B 24 16.089 -2.634 10.306 1.00 0.00 N ATOM 1803 CA CYS B 24 15.255 -3.828 10.326 1.00 0.00 C ATOM 1804 C CYS B 24 14.837 -4.223 8.914 1.00 0.00 C ATOM 1805 O CYS B 24 14.731 -5.409 8.598 1.00 0.00 O ATOM 1806 CB CYS B 24 14.019 -3.603 11.197 1.00 0.00 C ATOM 1807 SG CYS B 24 12.960 -5.060 11.365 1.00 0.00 S ATOM 0 H CYS B 24 15.687 -1.832 10.792 1.00 0.00 H new ATOM 0 HA CYS B 24 15.842 -4.642 10.752 1.00 0.00 H new ATOM 0 HB2 CYS B 24 14.340 -3.284 12.189 1.00 0.00 H new ATOM 0 HB3 CYS B 24 13.433 -2.788 10.774 1.00 0.00 H new ATOM 0 HG CYS B 24 12.362 -5.031 12.519 1.00 0.00 H new ATOM 1813 N ALA B 25 14.613 -3.227 8.060 1.00 0.00 N ATOM 1814 CA ALA B 25 14.223 -3.484 6.685 1.00 0.00 C ATOM 1815 C ALA B 25 15.406 -4.053 5.919 1.00 0.00 C ATOM 1816 O ALA B 25 15.263 -4.971 5.109 1.00 0.00 O ATOM 1817 CB ALA B 25 13.722 -2.208 6.024 1.00 0.00 C ATOM 0 H ALA B 25 14.696 -2.239 8.299 1.00 0.00 H new ATOM 0 HA ALA B 25 13.410 -4.210 6.675 1.00 0.00 H new ATOM 0 HB1 ALA B 25 13.434 -2.420 4.994 1.00 0.00 H new ATOM 0 HB2 ALA B 25 12.859 -1.830 6.571 1.00 0.00 H new ATOM 0 HB3 ALA B 25 14.514 -1.459 6.032 1.00 0.00 H new ATOM 1823 N THR B 26 16.581 -3.499 6.198 1.00 0.00 N ATOM 1824 CA THR B 26 17.804 -3.945 5.552 1.00 0.00 C ATOM 1825 C THR B 26 18.036 -5.422 5.826 1.00 0.00 C ATOM 1826 O THR B 26 18.339 -6.195 4.918 1.00 0.00 O ATOM 1827 CB THR B 26 18.999 -3.124 6.038 1.00 0.00 C ATOM 1828 OG1 THR B 26 18.808 -1.747 5.766 1.00 0.00 O ATOM 1829 CG2 THR B 26 20.311 -3.541 5.406 1.00 0.00 C ATOM 0 H THR B 26 16.709 -2.740 6.868 1.00 0.00 H new ATOM 0 HA THR B 26 17.698 -3.799 4.477 1.00 0.00 H new ATOM 0 HB THR B 26 19.057 -3.309 7.111 1.00 0.00 H new ATOM 0 HG1 THR B 26 18.016 -1.425 6.246 1.00 0.00 H new ATOM 0 HG21 THR B 26 21.116 -2.918 5.795 1.00 0.00 H new ATOM 0 HG22 THR B 26 20.513 -4.586 5.643 1.00 0.00 H new ATOM 0 HG23 THR B 26 20.249 -3.420 4.325 1.00 0.00 H new ATOM 1837 N GLN B 27 17.872 -5.811 7.084 1.00 0.00 N ATOM 1838 CA GLN B 27 18.043 -7.201 7.472 1.00 0.00 C ATOM 1839 C GLN B 27 17.070 -8.071 6.694 1.00 0.00 C ATOM 1840 O GLN B 27 17.451 -9.088 6.116 1.00 0.00 O ATOM 1841 CB GLN B 27 17.810 -7.374 8.975 1.00 0.00 C ATOM 1842 CG GLN B 27 18.786 -6.592 9.837 1.00 0.00 C ATOM 1843 CD GLN B 27 20.226 -7.005 9.606 1.00 0.00 C ATOM 1844 OE1 GLN B 27 20.593 -8.162 9.808 1.00 0.00 O ATOM 1845 NE2 GLN B 27 21.052 -6.056 9.179 1.00 0.00 N ATOM 0 H GLN B 27 17.622 -5.184 7.849 1.00 0.00 H new ATOM 0 HA GLN B 27 19.065 -7.505 7.244 1.00 0.00 H new ATOM 0 HB2 GLN B 27 16.794 -7.060 9.215 1.00 0.00 H new ATOM 0 HB3 GLN B 27 17.884 -8.432 9.226 1.00 0.00 H new ATOM 0 HG2 GLN B 27 18.679 -5.528 9.627 1.00 0.00 H new ATOM 0 HG3 GLN B 27 18.534 -6.737 10.888 1.00 0.00 H new ATOM 0 HE21 GLN B 27 20.705 -5.109 9.025 1.00 0.00 H new ATOM 0 HE22 GLN B 27 22.033 -6.274 9.006 1.00 0.00 H new ATOM 1854 N ALA B 28 15.809 -7.643 6.670 1.00 0.00 N ATOM 1855 CA ALA B 28 14.761 -8.357 5.954 1.00 0.00 C ATOM 1856 C ALA B 28 15.218 -8.736 4.556 1.00 0.00 C ATOM 1857 O ALA B 28 15.000 -9.859 4.100 1.00 0.00 O ATOM 1858 CB ALA B 28 13.501 -7.507 5.889 1.00 0.00 C ATOM 0 H ALA B 28 15.490 -6.798 7.143 1.00 0.00 H new ATOM 0 HA ALA B 28 14.540 -9.276 6.496 1.00 0.00 H new ATOM 0 HB1 ALA B 28 12.723 -8.050 5.352 1.00 0.00 H new ATOM 0 HB2 ALA B 28 13.158 -7.287 6.900 1.00 0.00 H new ATOM 0 HB3 ALA B 28 13.718 -6.574 5.369 1.00 0.00 H new ATOM 1864 N LEU B 29 15.863 -7.797 3.882 1.00 0.00 N ATOM 1865 CA LEU B 29 16.364 -8.041 2.539 1.00 0.00 C ATOM 1866 C LEU B 29 17.453 -9.104 2.558 1.00 0.00 C ATOM 1867 O LEU B 29 17.497 -9.983 1.701 1.00 0.00 O ATOM 1868 CB LEU B 29 16.898 -6.751 1.925 1.00 0.00 C ATOM 1869 CG LEU B 29 15.822 -5.774 1.465 1.00 0.00 C ATOM 1870 CD1 LEU B 29 16.420 -4.402 1.194 1.00 0.00 C ATOM 1871 CD2 LEU B 29 15.127 -6.304 0.221 1.00 0.00 C ATOM 0 H LEU B 29 16.051 -6.861 4.242 1.00 0.00 H new ATOM 0 HA LEU B 29 15.537 -8.402 1.927 1.00 0.00 H new ATOM 0 HB2 LEU B 29 17.534 -6.252 2.656 1.00 0.00 H new ATOM 0 HB3 LEU B 29 17.529 -7.004 1.073 1.00 0.00 H new ATOM 0 HG LEU B 29 15.085 -5.674 2.262 1.00 0.00 H new ATOM 0 HD11 LEU B 29 15.634 -3.721 0.867 1.00 0.00 H new ATOM 0 HD12 LEU B 29 16.877 -4.018 2.106 1.00 0.00 H new ATOM 0 HD13 LEU B 29 17.178 -4.483 0.415 1.00 0.00 H new ATOM 0 HD21 LEU B 29 14.361 -5.597 -0.097 1.00 0.00 H new ATOM 0 HD22 LEU B 29 15.858 -6.431 -0.578 1.00 0.00 H new ATOM 0 HD23 LEU B 29 14.663 -7.265 0.445 1.00 0.00 H new ATOM 1883 N GLU B 30 18.331 -9.009 3.545 1.00 0.00 N ATOM 1884 CA GLU B 30 19.433 -9.950 3.689 1.00 0.00 C ATOM 1885 C GLU B 30 18.937 -11.359 4.006 1.00 0.00 C ATOM 1886 O GLU B 30 19.509 -12.344 3.538 1.00 0.00 O ATOM 1887 CB GLU B 30 20.391 -9.479 4.785 1.00 0.00 C ATOM 1888 CG GLU B 30 21.002 -8.114 4.512 1.00 0.00 C ATOM 1889 CD GLU B 30 21.948 -7.669 5.610 1.00 0.00 C ATOM 1890 OE1 GLU B 30 22.945 -8.379 5.859 1.00 0.00 O ATOM 1891 OE2 GLU B 30 21.692 -6.610 6.220 1.00 0.00 O ATOM 0 H GLU B 30 18.302 -8.285 4.263 1.00 0.00 H new ATOM 0 HA GLU B 30 19.959 -9.986 2.735 1.00 0.00 H new ATOM 0 HB2 GLU B 30 19.856 -9.445 5.734 1.00 0.00 H new ATOM 0 HB3 GLU B 30 21.191 -10.211 4.896 1.00 0.00 H new ATOM 0 HG2 GLU B 30 21.539 -8.144 3.564 1.00 0.00 H new ATOM 0 HG3 GLU B 30 20.205 -7.378 4.404 1.00 0.00 H new ATOM 1898 N LYS B 31 17.884 -11.455 4.812 1.00 0.00 N ATOM 1899 CA LYS B 31 17.341 -12.754 5.193 1.00 0.00 C ATOM 1900 C LYS B 31 16.326 -13.277 4.179 1.00 0.00 C ATOM 1901 O LYS B 31 16.249 -14.482 3.946 1.00 0.00 O ATOM 1902 CB LYS B 31 16.733 -12.709 6.599 1.00 0.00 C ATOM 1903 CG LYS B 31 15.845 -11.504 6.867 1.00 0.00 C ATOM 1904 CD LYS B 31 15.171 -11.612 8.224 1.00 0.00 C ATOM 1905 CE LYS B 31 14.228 -10.448 8.488 1.00 0.00 C ATOM 1906 NZ LYS B 31 13.564 -10.559 9.815 1.00 0.00 N ATOM 0 H LYS B 31 17.393 -10.655 5.211 1.00 0.00 H new ATOM 0 HA LYS B 31 18.176 -13.454 5.202 1.00 0.00 H new ATOM 0 HB2 LYS B 31 16.150 -13.616 6.757 1.00 0.00 H new ATOM 0 HB3 LYS B 31 17.541 -12.718 7.330 1.00 0.00 H new ATOM 0 HG2 LYS B 31 16.441 -10.593 6.825 1.00 0.00 H new ATOM 0 HG3 LYS B 31 15.088 -11.426 6.087 1.00 0.00 H new ATOM 0 HD2 LYS B 31 14.615 -12.548 8.279 1.00 0.00 H new ATOM 0 HD3 LYS B 31 15.931 -11.646 9.004 1.00 0.00 H new ATOM 0 HE2 LYS B 31 14.784 -9.512 8.438 1.00 0.00 H new ATOM 0 HE3 LYS B 31 13.470 -10.410 7.705 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 13.181 -9.632 10.090 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 12.790 -11.251 9.759 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 14.257 -10.872 10.525 1.00 0.00 H new ATOM 1920 N TYR B 32 15.550 -12.383 3.573 1.00 0.00 N ATOM 1921 CA TYR B 32 14.559 -12.808 2.587 1.00 0.00 C ATOM 1922 C TYR B 32 14.833 -12.215 1.210 1.00 0.00 C ATOM 1923 O TYR B 32 14.773 -12.918 0.201 1.00 0.00 O ATOM 1924 CB TYR B 32 13.139 -12.445 3.029 1.00 0.00 C ATOM 1925 CG TYR B 32 12.642 -13.233 4.222 1.00 0.00 C ATOM 1926 CD1 TYR B 32 13.070 -12.935 5.507 1.00 0.00 C ATOM 1927 CD2 TYR B 32 11.742 -14.278 4.057 1.00 0.00 C ATOM 1928 CE1 TYR B 32 12.618 -13.654 6.598 1.00 0.00 C ATOM 1929 CE2 TYR B 32 11.284 -15.002 5.142 1.00 0.00 C ATOM 1930 CZ TYR B 32 11.724 -14.686 6.409 1.00 0.00 C ATOM 1931 OH TYR B 32 11.269 -15.404 7.491 1.00 0.00 O ATOM 0 H TYR B 32 15.585 -11.378 3.742 1.00 0.00 H new ATOM 0 HA TYR B 32 14.641 -13.893 2.516 1.00 0.00 H new ATOM 0 HB2 TYR B 32 13.106 -11.382 3.270 1.00 0.00 H new ATOM 0 HB3 TYR B 32 12.458 -12.604 2.193 1.00 0.00 H new ATOM 0 HD1 TYR B 32 13.769 -12.126 5.658 1.00 0.00 H new ATOM 0 HD2 TYR B 32 11.395 -14.529 3.066 1.00 0.00 H new ATOM 0 HE1 TYR B 32 12.963 -13.409 7.592 1.00 0.00 H new ATOM 0 HE2 TYR B 32 10.584 -15.812 4.997 1.00 0.00 H new ATOM 0 HH TYR B 32 10.644 -16.095 7.186 1.00 0.00 H new ATOM 1941 N ASN B 33 15.127 -10.921 1.169 1.00 0.00 N ATOM 1942 CA ASN B 33 15.400 -10.239 -0.092 1.00 0.00 C ATOM 1943 C ASN B 33 14.153 -10.207 -0.976 1.00 0.00 C ATOM 1944 O ASN B 33 14.230 -10.446 -2.182 1.00 0.00 O ATOM 1945 CB ASN B 33 16.549 -10.927 -0.838 1.00 0.00 C ATOM 1946 CG ASN B 33 16.933 -10.196 -2.111 1.00 0.00 C ATOM 1947 OD1 ASN B 33 17.326 -9.030 -2.076 1.00 0.00 O ATOM 1948 ND2 ASN B 33 16.822 -10.881 -3.243 1.00 0.00 N ATOM 0 H ASN B 33 15.183 -10.323 1.993 1.00 0.00 H new ATOM 0 HA ASN B 33 15.690 -9.214 0.138 1.00 0.00 H new ATOM 0 HB2 ASN B 33 17.418 -10.990 -0.183 1.00 0.00 H new ATOM 0 HB3 ASN B 33 16.259 -11.949 -1.083 1.00 0.00 H new ATOM 0 HD21 ASN B 33 17.067 -10.442 -4.131 1.00 0.00 H new ATOM 0 HD22 ASN B 33 16.492 -11.846 -3.225 1.00 0.00 H new ATOM 1955 N ILE B 34 13.007 -9.906 -0.373 1.00 0.00 N ATOM 1956 CA ILE B 34 11.752 -9.841 -1.116 1.00 0.00 C ATOM 1957 C ILE B 34 10.816 -8.795 -0.515 1.00 0.00 C ATOM 1958 O ILE B 34 10.455 -8.871 0.659 1.00 0.00 O ATOM 1959 CB ILE B 34 11.041 -11.209 -1.133 1.00 0.00 C ATOM 1960 CG1 ILE B 34 11.963 -12.277 -1.724 1.00 0.00 C ATOM 1961 CG2 ILE B 34 9.742 -11.129 -1.926 1.00 0.00 C ATOM 1962 CD1 ILE B 34 11.339 -13.655 -1.771 1.00 0.00 C ATOM 0 H ILE B 34 12.921 -9.704 0.623 1.00 0.00 H new ATOM 0 HA ILE B 34 11.998 -9.558 -2.139 1.00 0.00 H new ATOM 0 HB ILE B 34 10.799 -11.486 -0.107 1.00 0.00 H new ATOM 0 HG12 ILE B 34 12.248 -11.981 -2.734 1.00 0.00 H new ATOM 0 HG13 ILE B 34 12.879 -12.322 -1.135 1.00 0.00 H new ATOM 0 HG21 ILE B 34 9.255 -12.104 -1.926 1.00 0.00 H new ATOM 0 HG22 ILE B 34 9.081 -10.393 -1.468 1.00 0.00 H new ATOM 0 HG23 ILE B 34 9.960 -10.832 -2.952 1.00 0.00 H new ATOM 0 HD11 ILE B 34 12.049 -14.361 -2.201 1.00 0.00 H new ATOM 0 HD12 ILE B 34 11.079 -13.971 -0.761 1.00 0.00 H new ATOM 0 HD13 ILE B 34 10.439 -13.626 -2.385 1.00 0.00 H new ATOM 1974 N GLU B 35 10.436 -7.816 -1.331 1.00 0.00 N ATOM 1975 CA GLU B 35 9.552 -6.734 -0.895 1.00 0.00 C ATOM 1976 C GLU B 35 8.374 -7.252 -0.072 1.00 0.00 C ATOM 1977 O GLU B 35 8.036 -6.681 0.964 1.00 0.00 O ATOM 1978 CB GLU B 35 9.035 -5.948 -2.104 1.00 0.00 C ATOM 1979 CG GLU B 35 8.123 -6.749 -3.022 1.00 0.00 C ATOM 1980 CD GLU B 35 8.816 -7.942 -3.651 1.00 0.00 C ATOM 1981 OE1 GLU B 35 9.814 -7.736 -4.372 1.00 0.00 O ATOM 1982 OE2 GLU B 35 8.361 -9.082 -3.421 1.00 0.00 O ATOM 0 H GLU B 35 10.728 -7.748 -2.306 1.00 0.00 H new ATOM 0 HA GLU B 35 10.140 -6.075 -0.256 1.00 0.00 H new ATOM 0 HB2 GLU B 35 8.495 -5.070 -1.749 1.00 0.00 H new ATOM 0 HB3 GLU B 35 9.887 -5.587 -2.680 1.00 0.00 H new ATOM 0 HG2 GLU B 35 7.259 -7.095 -2.455 1.00 0.00 H new ATOM 0 HG3 GLU B 35 7.747 -6.097 -3.810 1.00 0.00 H new ATOM 1989 N LYS B 36 7.748 -8.327 -0.536 1.00 0.00 N ATOM 1990 CA LYS B 36 6.606 -8.903 0.166 1.00 0.00 C ATOM 1991 C LYS B 36 6.983 -9.321 1.585 1.00 0.00 C ATOM 1992 O LYS B 36 6.359 -8.897 2.557 1.00 0.00 O ATOM 1993 CB LYS B 36 6.074 -10.122 -0.589 1.00 0.00 C ATOM 1994 CG LYS B 36 4.899 -10.796 0.106 1.00 0.00 C ATOM 1995 CD LYS B 36 4.581 -12.161 -0.485 1.00 0.00 C ATOM 1996 CE LYS B 36 5.635 -13.199 -0.120 1.00 0.00 C ATOM 1997 NZ LYS B 36 6.890 -13.036 -0.907 1.00 0.00 N ATOM 0 H LYS B 36 8.010 -8.816 -1.392 1.00 0.00 H new ATOM 0 HA LYS B 36 5.833 -8.136 0.217 1.00 0.00 H new ATOM 0 HB2 LYS B 36 5.768 -9.816 -1.589 1.00 0.00 H new ATOM 0 HB3 LYS B 36 6.880 -10.846 -0.709 1.00 0.00 H new ATOM 0 HG2 LYS B 36 5.122 -10.906 1.167 1.00 0.00 H new ATOM 0 HG3 LYS B 36 4.020 -10.156 0.030 1.00 0.00 H new ATOM 0 HD2 LYS B 36 3.606 -12.493 -0.128 1.00 0.00 H new ATOM 0 HD3 LYS B 36 4.512 -12.080 -1.570 1.00 0.00 H new ATOM 0 HE2 LYS B 36 5.864 -13.122 0.943 1.00 0.00 H new ATOM 0 HE3 LYS B 36 5.231 -14.197 -0.288 1.00 0.00 H new ATOM 0 HZ1 LYS B 36 7.228 -13.969 -1.218 1.00 0.00 H new ATOM 0 HZ2 LYS B 36 6.703 -12.440 -1.739 1.00 0.00 H new ATOM 0 HZ3 LYS B 36 7.615 -12.585 -0.314 1.00 0.00 H new ATOM 2011 N ASP B 37 7.998 -10.168 1.688 1.00 0.00 N ATOM 2012 CA ASP B 37 8.455 -10.667 2.979 1.00 0.00 C ATOM 2013 C ASP B 37 8.948 -9.536 3.880 1.00 0.00 C ATOM 2014 O ASP B 37 8.693 -9.541 5.084 1.00 0.00 O ATOM 2015 CB ASP B 37 9.557 -11.709 2.778 1.00 0.00 C ATOM 2016 CG ASP B 37 9.098 -12.873 1.918 1.00 0.00 C ATOM 2017 OD1 ASP B 37 8.115 -13.541 2.301 1.00 0.00 O ATOM 2018 OD2 ASP B 37 9.724 -13.118 0.866 1.00 0.00 O ATOM 0 H ASP B 37 8.523 -10.526 0.890 1.00 0.00 H new ATOM 0 HA ASP B 37 7.605 -11.135 3.477 1.00 0.00 H new ATOM 0 HB2 ASP B 37 10.422 -11.235 2.313 1.00 0.00 H new ATOM 0 HB3 ASP B 37 9.882 -12.083 3.749 1.00 0.00 H new ATOM 2023 N ILE B 38 9.649 -8.563 3.296 1.00 0.00 N ATOM 2024 CA ILE B 38 10.171 -7.427 4.061 1.00 0.00 C ATOM 2025 C ILE B 38 9.098 -6.834 4.972 1.00 0.00 C ATOM 2026 O ILE B 38 9.331 -6.611 6.162 1.00 0.00 O ATOM 2027 CB ILE B 38 10.705 -6.317 3.127 1.00 0.00 C ATOM 2028 CG1 ILE B 38 11.921 -6.814 2.344 1.00 0.00 C ATOM 2029 CG2 ILE B 38 11.067 -5.069 3.922 1.00 0.00 C ATOM 2030 CD1 ILE B 38 12.388 -5.841 1.285 1.00 0.00 C ATOM 0 H ILE B 38 9.868 -8.537 2.300 1.00 0.00 H new ATOM 0 HA ILE B 38 10.991 -7.808 4.670 1.00 0.00 H new ATOM 0 HB ILE B 38 9.915 -6.060 2.421 1.00 0.00 H new ATOM 0 HG12 ILE B 38 12.739 -7.004 3.039 1.00 0.00 H new ATOM 0 HG13 ILE B 38 11.676 -7.765 1.871 1.00 0.00 H new ATOM 0 HG21 ILE B 38 11.440 -4.301 3.244 1.00 0.00 H new ATOM 0 HG22 ILE B 38 10.182 -4.697 4.439 1.00 0.00 H new ATOM 0 HG23 ILE B 38 11.838 -5.314 4.653 1.00 0.00 H new ATOM 0 HD11 ILE B 38 13.253 -6.255 0.767 1.00 0.00 H new ATOM 0 HD12 ILE B 38 11.584 -5.669 0.569 1.00 0.00 H new ATOM 0 HD13 ILE B 38 12.664 -4.897 1.755 1.00 0.00 H new ATOM 2042 N ALA B 39 7.926 -6.578 4.404 1.00 0.00 N ATOM 2043 CA ALA B 39 6.820 -6.004 5.157 1.00 0.00 C ATOM 2044 C ALA B 39 6.351 -6.939 6.265 1.00 0.00 C ATOM 2045 O ALA B 39 5.981 -6.492 7.349 1.00 0.00 O ATOM 2046 CB ALA B 39 5.668 -5.669 4.224 1.00 0.00 C ATOM 0 H ALA B 39 7.718 -6.760 3.422 1.00 0.00 H new ATOM 0 HA ALA B 39 7.176 -5.087 5.627 1.00 0.00 H new ATOM 0 HB1 ALA B 39 4.847 -5.241 4.799 1.00 0.00 H new ATOM 0 HB2 ALA B 39 6.002 -4.949 3.477 1.00 0.00 H new ATOM 0 HB3 ALA B 39 5.327 -6.577 3.726 1.00 0.00 H new ATOM 2052 N ALA B 40 6.360 -8.237 5.988 1.00 0.00 N ATOM 2053 CA ALA B 40 5.921 -9.228 6.964 1.00 0.00 C ATOM 2054 C ALA B 40 6.794 -9.209 8.217 1.00 0.00 C ATOM 2055 O ALA B 40 6.288 -9.232 9.341 1.00 0.00 O ATOM 2056 CB ALA B 40 5.925 -10.616 6.340 1.00 0.00 C ATOM 0 H ALA B 40 6.666 -8.628 5.097 1.00 0.00 H new ATOM 0 HA ALA B 40 4.905 -8.972 7.264 1.00 0.00 H new ATOM 0 HB1 ALA B 40 5.596 -11.348 7.078 1.00 0.00 H new ATOM 0 HB2 ALA B 40 5.249 -10.633 5.485 1.00 0.00 H new ATOM 0 HB3 ALA B 40 6.934 -10.863 6.009 1.00 0.00 H new ATOM 2062 N HIS B 41 8.106 -9.182 8.013 1.00 0.00 N ATOM 2063 CA HIS B 41 9.060 -9.181 9.122 1.00 0.00 C ATOM 2064 C HIS B 41 8.930 -7.918 9.964 1.00 0.00 C ATOM 2065 O HIS B 41 8.662 -7.981 11.162 1.00 0.00 O ATOM 2066 CB HIS B 41 10.488 -9.290 8.590 1.00 0.00 C ATOM 2067 CG HIS B 41 10.604 -10.169 7.390 1.00 0.00 C ATOM 2068 ND1 HIS B 41 11.143 -9.929 6.176 1.00 0.00 N flip ATOM 2069 CD2 HIS B 41 10.104 -11.451 7.342 1.00 0.00 C flip ATOM 2070 CE1 HIS B 41 10.959 -11.056 5.420 1.00 0.00 C flip ATOM 2071 NE2 HIS B 41 10.328 -11.961 6.146 1.00 0.00 N flip ATOM 0 H HIS B 41 8.537 -9.160 7.089 1.00 0.00 H new ATOM 0 HA HIS B 41 8.836 -10.042 9.752 1.00 0.00 H new ATOM 0 HB2 HIS B 41 10.852 -8.294 8.339 1.00 0.00 H new ATOM 0 HB3 HIS B 41 11.134 -9.676 9.379 1.00 0.00 H new ATOM 0 HD2 HIS B 41 9.607 -11.959 8.155 1.00 0.00 H new ATOM 0 HE1 HIS B 41 11.278 -11.184 4.396 1.00 0.00 H new ATOM 0 HE2 HIS B 41 10.060 -12.895 5.835 1.00 0.00 H new ATOM 2080 N ILE B 42 9.133 -6.773 9.326 1.00 0.00 N ATOM 2081 CA ILE B 42 9.056 -5.487 10.008 1.00 0.00 C ATOM 2082 C ILE B 42 7.682 -5.266 10.640 1.00 0.00 C ATOM 2083 O ILE B 42 7.574 -4.674 11.715 1.00 0.00 O ATOM 2084 CB ILE B 42 9.368 -4.328 9.037 1.00 0.00 C ATOM 2085 CG1 ILE B 42 10.762 -4.507 8.433 1.00 0.00 C ATOM 2086 CG2 ILE B 42 9.267 -2.986 9.749 1.00 0.00 C ATOM 2087 CD1 ILE B 42 11.136 -3.422 7.446 1.00 0.00 C ATOM 0 H ILE B 42 9.353 -6.708 8.332 1.00 0.00 H new ATOM 0 HA ILE B 42 9.804 -5.502 10.801 1.00 0.00 H new ATOM 0 HB ILE B 42 8.632 -4.344 8.233 1.00 0.00 H new ATOM 0 HG12 ILE B 42 11.498 -4.525 9.237 1.00 0.00 H new ATOM 0 HG13 ILE B 42 10.811 -5.474 7.933 1.00 0.00 H new ATOM 0 HG21 ILE B 42 9.491 -2.183 9.046 1.00 0.00 H new ATOM 0 HG22 ILE B 42 8.257 -2.856 10.139 1.00 0.00 H new ATOM 0 HG23 ILE B 42 9.980 -2.956 10.573 1.00 0.00 H new ATOM 0 HD11 ILE B 42 12.137 -3.613 7.058 1.00 0.00 H new ATOM 0 HD12 ILE B 42 10.422 -3.417 6.622 1.00 0.00 H new ATOM 0 HD13 ILE B 42 11.119 -2.454 7.946 1.00 0.00 H new ATOM 2099 N LYS B 43 6.638 -5.726 9.964 1.00 0.00 N ATOM 2100 CA LYS B 43 5.274 -5.555 10.455 1.00 0.00 C ATOM 2101 C LYS B 43 5.054 -6.231 11.809 1.00 0.00 C ATOM 2102 O LYS B 43 4.678 -5.575 12.777 1.00 0.00 O ATOM 2103 CB LYS B 43 4.270 -6.097 9.437 1.00 0.00 C ATOM 2104 CG LYS B 43 2.822 -5.980 9.885 1.00 0.00 C ATOM 2105 CD LYS B 43 1.867 -6.518 8.830 1.00 0.00 C ATOM 2106 CE LYS B 43 0.421 -6.414 9.284 1.00 0.00 C ATOM 2107 NZ LYS B 43 0.173 -7.188 10.532 1.00 0.00 N ATOM 0 H LYS B 43 6.708 -6.220 9.075 1.00 0.00 H new ATOM 0 HA LYS B 43 5.117 -4.485 10.592 1.00 0.00 H new ATOM 0 HB2 LYS B 43 4.394 -5.561 8.496 1.00 0.00 H new ATOM 0 HB3 LYS B 43 4.496 -7.145 9.239 1.00 0.00 H new ATOM 0 HG2 LYS B 43 2.683 -6.528 10.817 1.00 0.00 H new ATOM 0 HG3 LYS B 43 2.587 -4.936 10.091 1.00 0.00 H new ATOM 0 HD2 LYS B 43 1.999 -5.963 7.901 1.00 0.00 H new ATOM 0 HD3 LYS B 43 2.108 -7.559 8.616 1.00 0.00 H new ATOM 0 HE2 LYS B 43 0.167 -5.367 9.450 1.00 0.00 H new ATOM 0 HE3 LYS B 43 -0.235 -6.780 8.494 1.00 0.00 H new ATOM 0 HZ1 LYS B 43 -0.817 -7.064 10.827 1.00 0.00 H new ATOM 0 HZ2 LYS B 43 0.358 -8.196 10.358 1.00 0.00 H new ATOM 0 HZ3 LYS B 43 0.804 -6.845 11.284 1.00 0.00 H new ATOM 2121 N LYS B 44 5.260 -7.543 11.875 1.00 0.00 N ATOM 2122 CA LYS B 44 5.042 -8.274 13.122 1.00 0.00 C ATOM 2123 C LYS B 44 6.040 -7.881 14.208 1.00 0.00 C ATOM 2124 O LYS B 44 5.671 -7.743 15.374 1.00 0.00 O ATOM 2125 CB LYS B 44 5.087 -9.788 12.892 1.00 0.00 C ATOM 2126 CG LYS B 44 6.440 -10.310 12.435 1.00 0.00 C ATOM 2127 CD LYS B 44 6.466 -11.831 12.437 1.00 0.00 C ATOM 2128 CE LYS B 44 7.810 -12.377 11.981 1.00 0.00 C ATOM 2129 NZ LYS B 44 8.070 -12.090 10.544 1.00 0.00 N ATOM 0 H LYS B 44 5.573 -8.117 11.092 1.00 0.00 H new ATOM 0 HA LYS B 44 4.047 -7.998 13.471 1.00 0.00 H new ATOM 0 HB2 LYS B 44 4.809 -10.293 13.817 1.00 0.00 H new ATOM 0 HB3 LYS B 44 4.337 -10.053 12.147 1.00 0.00 H new ATOM 0 HG2 LYS B 44 6.657 -9.940 11.433 1.00 0.00 H new ATOM 0 HG3 LYS B 44 7.222 -9.928 13.092 1.00 0.00 H new ATOM 0 HD2 LYS B 44 6.248 -12.196 13.440 1.00 0.00 H new ATOM 0 HD3 LYS B 44 5.680 -12.208 11.782 1.00 0.00 H new ATOM 0 HE2 LYS B 44 8.603 -11.940 12.587 1.00 0.00 H new ATOM 0 HE3 LYS B 44 7.839 -13.454 12.147 1.00 0.00 H new ATOM 0 HZ1 LYS B 44 9.045 -11.747 10.429 1.00 0.00 H new ATOM 0 HZ2 LYS B 44 7.941 -12.959 9.988 1.00 0.00 H new ATOM 0 HZ3 LYS B 44 7.406 -11.363 10.209 1.00 0.00 H new ATOM 2143 N GLU B 45 7.302 -7.712 13.832 1.00 0.00 N ATOM 2144 CA GLU B 45 8.337 -7.348 14.797 1.00 0.00 C ATOM 2145 C GLU B 45 7.968 -6.084 15.573 1.00 0.00 C ATOM 2146 O GLU B 45 8.066 -6.054 16.800 1.00 0.00 O ATOM 2147 CB GLU B 45 9.680 -7.158 14.094 1.00 0.00 C ATOM 2148 CG GLU B 45 10.266 -8.447 13.536 1.00 0.00 C ATOM 2149 CD GLU B 45 10.605 -9.456 14.617 1.00 0.00 C ATOM 2150 OE1 GLU B 45 10.390 -9.148 15.808 1.00 0.00 O ATOM 2151 OE2 GLU B 45 11.088 -10.555 14.271 1.00 0.00 O ATOM 0 H GLU B 45 7.634 -7.820 12.873 1.00 0.00 H new ATOM 0 HA GLU B 45 8.419 -8.167 15.512 1.00 0.00 H new ATOM 0 HB2 GLU B 45 9.556 -6.443 13.280 1.00 0.00 H new ATOM 0 HB3 GLU B 45 10.389 -6.721 14.797 1.00 0.00 H new ATOM 0 HG2 GLU B 45 9.555 -8.892 12.840 1.00 0.00 H new ATOM 0 HG3 GLU B 45 11.166 -8.215 12.967 1.00 0.00 H new ATOM 2158 N PHE B 46 7.549 -5.043 14.863 1.00 0.00 N ATOM 2159 CA PHE B 46 7.176 -3.785 15.508 1.00 0.00 C ATOM 2160 C PHE B 46 5.849 -3.895 16.248 1.00 0.00 C ATOM 2161 O PHE B 46 5.725 -3.438 17.383 1.00 0.00 O ATOM 2162 CB PHE B 46 7.122 -2.651 14.486 1.00 0.00 C ATOM 2163 CG PHE B 46 8.481 -2.195 14.034 1.00 0.00 C ATOM 2164 CD1 PHE B 46 9.355 -3.076 13.418 1.00 0.00 C ATOM 2165 CD2 PHE B 46 8.884 -0.885 14.231 1.00 0.00 C ATOM 2166 CE1 PHE B 46 10.606 -2.656 13.008 1.00 0.00 C ATOM 2167 CE2 PHE B 46 10.132 -0.460 13.823 1.00 0.00 C ATOM 2168 CZ PHE B 46 10.995 -1.347 13.210 1.00 0.00 C ATOM 0 H PHE B 46 7.459 -5.042 13.847 1.00 0.00 H new ATOM 0 HA PHE B 46 7.946 -3.560 16.246 1.00 0.00 H new ATOM 0 HB2 PHE B 46 6.549 -2.979 13.619 1.00 0.00 H new ATOM 0 HB3 PHE B 46 6.588 -1.805 14.919 1.00 0.00 H new ATOM 0 HD1 PHE B 46 9.056 -4.101 13.257 1.00 0.00 H new ATOM 0 HD2 PHE B 46 8.213 -0.187 14.710 1.00 0.00 H new ATOM 0 HE1 PHE B 46 11.279 -3.352 12.530 1.00 0.00 H new ATOM 0 HE2 PHE B 46 10.433 0.565 13.983 1.00 0.00 H new ATOM 0 HZ PHE B 46 11.972 -1.017 12.889 1.00 0.00 H new ATOM 2178 N ASP B 47 4.858 -4.504 15.611 1.00 0.00 N ATOM 2179 CA ASP B 47 3.548 -4.666 16.232 1.00 0.00 C ATOM 2180 C ASP B 47 3.668 -5.425 17.548 1.00 0.00 C ATOM 2181 O ASP B 47 2.908 -5.190 18.485 1.00 0.00 O ATOM 2182 CB ASP B 47 2.588 -5.395 15.289 1.00 0.00 C ATOM 2183 CG ASP B 47 2.126 -4.516 14.142 1.00 0.00 C ATOM 2184 OD1 ASP B 47 2.989 -3.993 13.409 1.00 0.00 O ATOM 2185 OD2 ASP B 47 0.900 -4.350 13.980 1.00 0.00 O ATOM 0 H ASP B 47 4.934 -4.892 14.671 1.00 0.00 H new ATOM 0 HA ASP B 47 3.146 -3.674 16.437 1.00 0.00 H new ATOM 0 HB2 ASP B 47 3.080 -6.282 14.889 1.00 0.00 H new ATOM 0 HB3 ASP B 47 1.720 -5.739 15.852 1.00 0.00 H new ATOM 2190 N LYS B 48 4.623 -6.340 17.608 1.00 0.00 N ATOM 2191 CA LYS B 48 4.849 -7.139 18.797 1.00 0.00 C ATOM 2192 C LYS B 48 5.555 -6.320 19.881 1.00 0.00 C ATOM 2193 O LYS B 48 5.175 -6.355 21.051 1.00 0.00 O ATOM 2194 CB LYS B 48 5.692 -8.362 18.419 1.00 0.00 C ATOM 2195 CG LYS B 48 5.617 -9.510 19.411 1.00 0.00 C ATOM 2196 CD LYS B 48 6.139 -9.119 20.783 1.00 0.00 C ATOM 2197 CE LYS B 48 7.569 -8.604 20.714 1.00 0.00 C ATOM 2198 NZ LYS B 48 8.089 -8.229 22.058 1.00 0.00 N ATOM 0 H LYS B 48 5.259 -6.547 16.838 1.00 0.00 H new ATOM 0 HA LYS B 48 3.889 -7.462 19.199 1.00 0.00 H new ATOM 0 HB2 LYS B 48 5.370 -8.721 17.442 1.00 0.00 H new ATOM 0 HB3 LYS B 48 6.732 -8.053 18.318 1.00 0.00 H new ATOM 0 HG2 LYS B 48 4.583 -9.844 19.499 1.00 0.00 H new ATOM 0 HG3 LYS B 48 6.194 -10.354 19.032 1.00 0.00 H new ATOM 0 HD2 LYS B 48 5.496 -8.351 21.212 1.00 0.00 H new ATOM 0 HD3 LYS B 48 6.094 -9.981 21.449 1.00 0.00 H new ATOM 0 HE2 LYS B 48 8.210 -9.370 20.277 1.00 0.00 H new ATOM 0 HE3 LYS B 48 7.612 -7.738 20.054 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 9.066 -7.883 21.968 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 7.493 -7.480 22.465 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 8.072 -9.061 22.681 1.00 0.00 H new ATOM 2212 N LYS B 49 6.594 -5.598 19.481 1.00 0.00 N ATOM 2213 CA LYS B 49 7.377 -4.788 20.412 1.00 0.00 C ATOM 2214 C LYS B 49 6.717 -3.453 20.741 1.00 0.00 C ATOM 2215 O LYS B 49 6.457 -3.146 21.904 1.00 0.00 O ATOM 2216 CB LYS B 49 8.771 -4.533 19.835 1.00 0.00 C ATOM 2217 CG LYS B 49 9.547 -5.799 19.527 1.00 0.00 C ATOM 2218 CD LYS B 49 10.958 -5.485 19.052 1.00 0.00 C ATOM 2219 CE LYS B 49 11.750 -6.754 18.779 1.00 0.00 C ATOM 2220 NZ LYS B 49 11.112 -7.592 17.726 1.00 0.00 N ATOM 0 H LYS B 49 6.917 -5.555 18.514 1.00 0.00 H new ATOM 0 HA LYS B 49 7.444 -5.355 21.340 1.00 0.00 H new ATOM 0 HB2 LYS B 49 8.674 -3.946 18.922 1.00 0.00 H new ATOM 0 HB3 LYS B 49 9.342 -3.931 20.542 1.00 0.00 H new ATOM 0 HG2 LYS B 49 9.593 -6.425 20.418 1.00 0.00 H new ATOM 0 HG3 LYS B 49 9.023 -6.371 18.762 1.00 0.00 H new ATOM 0 HD2 LYS B 49 10.912 -4.882 18.145 1.00 0.00 H new ATOM 0 HD3 LYS B 49 11.472 -4.889 19.806 1.00 0.00 H new ATOM 0 HE2 LYS B 49 12.762 -6.491 18.470 1.00 0.00 H new ATOM 0 HE3 LYS B 49 11.838 -7.332 19.699 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 11.840 -7.935 17.067 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 10.636 -8.403 18.169 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 10.414 -7.023 17.205 1.00 0.00 H new ATOM 2234 N TYR B 50 6.482 -2.651 19.714 1.00 0.00 N ATOM 2235 CA TYR B 50 5.890 -1.327 19.889 1.00 0.00 C ATOM 2236 C TYR B 50 4.366 -1.368 19.953 1.00 0.00 C ATOM 2237 O TYR B 50 3.740 -0.376 20.326 1.00 0.00 O ATOM 2238 CB TYR B 50 6.348 -0.395 18.768 1.00 0.00 C ATOM 2239 CG TYR B 50 7.844 -0.162 18.754 1.00 0.00 C ATOM 2240 CD1 TYR B 50 8.727 -1.214 18.551 1.00 0.00 C ATOM 2241 CD2 TYR B 50 8.372 1.106 18.956 1.00 0.00 C ATOM 2242 CE1 TYR B 50 10.090 -1.011 18.546 1.00 0.00 C ATOM 2243 CE2 TYR B 50 9.737 1.319 18.951 1.00 0.00 C ATOM 2244 CZ TYR B 50 10.592 0.257 18.746 1.00 0.00 C ATOM 2245 OH TYR B 50 11.954 0.464 18.744 1.00 0.00 O ATOM 0 H TYR B 50 6.692 -2.892 18.745 1.00 0.00 H new ATOM 0 HA TYR B 50 6.237 -0.945 20.849 1.00 0.00 H new ATOM 0 HB2 TYR B 50 6.044 -0.815 17.809 1.00 0.00 H new ATOM 0 HB3 TYR B 50 5.839 0.563 18.872 1.00 0.00 H new ATOM 0 HD1 TYR B 50 8.339 -2.209 18.394 1.00 0.00 H new ATOM 0 HD2 TYR B 50 7.705 1.939 19.120 1.00 0.00 H new ATOM 0 HE1 TYR B 50 10.762 -1.841 18.386 1.00 0.00 H new ATOM 0 HE2 TYR B 50 10.132 2.312 19.107 1.00 0.00 H new ATOM 0 HH TYR B 50 12.141 1.414 18.898 1.00 0.00 H new ATOM 2255 N ASN B 51 3.775 -2.503 19.575 1.00 0.00 N ATOM 2256 CA ASN B 51 2.318 -2.672 19.575 1.00 0.00 C ATOM 2257 C ASN B 51 1.739 -2.228 18.239 1.00 0.00 C ATOM 2258 O ASN B 51 2.197 -1.248 17.649 1.00 0.00 O ATOM 2259 CB ASN B 51 1.647 -1.902 20.720 1.00 0.00 C ATOM 2260 CG ASN B 51 2.194 -2.286 22.082 1.00 0.00 C ATOM 2261 OD1 ASN B 51 3.383 -2.127 22.355 1.00 0.00 O ATOM 2262 ND2 ASN B 51 1.324 -2.796 22.945 1.00 0.00 N ATOM 0 H ASN B 51 4.288 -3.327 19.262 1.00 0.00 H new ATOM 0 HA ASN B 51 2.113 -3.732 19.728 1.00 0.00 H new ATOM 0 HB2 ASN B 51 1.788 -0.832 20.565 1.00 0.00 H new ATOM 0 HB3 ASN B 51 0.573 -2.089 20.698 1.00 0.00 H new ATOM 0 HD21 ASN B 51 1.633 -3.074 23.877 1.00 0.00 H new ATOM 0 HD22 ASN B 51 0.347 -2.910 22.677 1.00 0.00 H new ATOM 2269 N PRO B 52 0.732 -2.953 17.730 1.00 0.00 N ATOM 2270 CA PRO B 52 0.106 -2.634 16.446 1.00 0.00 C ATOM 2271 C PRO B 52 -0.517 -1.238 16.423 1.00 0.00 C ATOM 2272 O PRO B 52 -0.572 -0.566 17.453 1.00 0.00 O ATOM 2273 CB PRO B 52 -0.977 -3.712 16.288 1.00 0.00 C ATOM 2274 CG PRO B 52 -1.196 -4.249 17.659 1.00 0.00 C ATOM 2275 CD PRO B 52 0.130 -4.143 18.354 1.00 0.00 C ATOM 0 HA PRO B 52 0.836 -2.627 15.637 1.00 0.00 H new ATOM 0 HB2 PRO B 52 -1.895 -3.291 15.879 1.00 0.00 H new ATOM 0 HB3 PRO B 52 -0.654 -4.497 15.604 1.00 0.00 H new ATOM 0 HG2 PRO B 52 -1.961 -3.678 18.186 1.00 0.00 H new ATOM 0 HG3 PRO B 52 -1.538 -5.283 17.624 1.00 0.00 H new ATOM 0 HD2 PRO B 52 0.013 -4.020 19.431 1.00 0.00 H new ATOM 0 HD3 PRO B 52 0.740 -5.033 18.199 1.00 0.00 H new ATOM 2283 N THR B 53 -0.983 -0.791 15.246 1.00 0.00 N ATOM 2284 CA THR B 53 -0.923 -1.580 14.018 1.00 0.00 C ATOM 2285 C THR B 53 -0.052 -0.902 12.966 1.00 0.00 C ATOM 2286 O THR B 53 -0.402 0.153 12.439 1.00 0.00 O ATOM 2287 CB THR B 53 -2.334 -1.780 13.476 1.00 0.00 C ATOM 2288 OG1 THR B 53 -2.320 -2.618 12.335 1.00 0.00 O ATOM 2289 CG2 THR B 53 -3.018 -0.486 13.088 1.00 0.00 C ATOM 0 H THR B 53 -1.410 0.127 15.125 1.00 0.00 H new ATOM 0 HA THR B 53 -0.475 -2.546 14.250 1.00 0.00 H new ATOM 0 HB THR B 53 -2.893 -2.235 14.293 1.00 0.00 H new ATOM 0 HG1 THR B 53 -1.931 -3.486 12.571 1.00 0.00 H new ATOM 0 HG21 THR B 53 -4.018 -0.702 12.711 1.00 0.00 H new ATOM 0 HG22 THR B 53 -3.092 0.163 13.961 1.00 0.00 H new ATOM 0 HG23 THR B 53 -2.438 0.014 12.313 1.00 0.00 H new ATOM 2297 N TRP B 54 1.085 -1.519 12.663 1.00 0.00 N ATOM 2298 CA TRP B 54 2.011 -0.977 11.677 1.00 0.00 C ATOM 2299 C TRP B 54 1.691 -1.457 10.269 1.00 0.00 C ATOM 2300 O TRP B 54 1.675 -2.657 9.995 1.00 0.00 O ATOM 2301 CB TRP B 54 3.445 -1.360 12.030 1.00 0.00 C ATOM 2302 CG TRP B 54 3.835 -0.944 13.411 1.00 0.00 C ATOM 2303 CD1 TRP B 54 3.279 -1.372 14.579 1.00 0.00 C ATOM 2304 CD2 TRP B 54 4.853 -0.005 13.768 1.00 0.00 C ATOM 2305 NE1 TRP B 54 3.897 -0.768 15.643 1.00 0.00 N ATOM 2306 CE2 TRP B 54 4.865 0.080 15.170 1.00 0.00 C ATOM 2307 CE3 TRP B 54 5.756 0.770 13.036 1.00 0.00 C ATOM 2308 CZ2 TRP B 54 5.747 0.909 15.858 1.00 0.00 C ATOM 2309 CZ3 TRP B 54 6.631 1.594 13.719 1.00 0.00 C ATOM 2310 CH2 TRP B 54 6.621 1.657 15.117 1.00 0.00 C ATOM 0 H TRP B 54 1.387 -2.396 13.087 1.00 0.00 H new ATOM 0 HA TRP B 54 1.902 0.107 11.697 1.00 0.00 H new ATOM 0 HB2 TRP B 54 3.561 -2.440 11.935 1.00 0.00 H new ATOM 0 HB3 TRP B 54 4.125 -0.902 11.312 1.00 0.00 H new ATOM 0 HD1 TRP B 54 2.470 -2.083 14.655 1.00 0.00 H new ATOM 0 HE1 TRP B 54 3.673 -0.924 16.626 1.00 0.00 H new ATOM 0 HE3 TRP B 54 5.770 0.726 11.957 1.00 0.00 H new ATOM 0 HZ2 TRP B 54 5.742 0.960 16.937 1.00 0.00 H new ATOM 0 HZ3 TRP B 54 7.334 2.199 13.165 1.00 0.00 H new ATOM 0 HH2 TRP B 54 7.318 2.310 15.622 1.00 0.00 H new ATOM 2321 N HIS B 55 1.467 -0.503 9.377 1.00 0.00 N ATOM 2322 CA HIS B 55 1.184 -0.808 7.984 1.00 0.00 C ATOM 2323 C HIS B 55 2.475 -0.697 7.186 1.00 0.00 C ATOM 2324 O HIS B 55 3.280 0.198 7.440 1.00 0.00 O ATOM 2325 CB HIS B 55 0.132 0.155 7.436 1.00 0.00 C ATOM 2326 CG HIS B 55 -1.029 0.352 8.361 1.00 0.00 C ATOM 2327 ND1 HIS B 55 -1.794 -0.687 8.846 1.00 0.00 N ATOM 2328 CD2 HIS B 55 -1.557 1.482 8.883 1.00 0.00 C ATOM 2329 CE1 HIS B 55 -2.746 -0.202 9.624 1.00 0.00 C ATOM 2330 NE2 HIS B 55 -2.626 1.112 9.663 1.00 0.00 N ATOM 0 H HIS B 55 1.476 0.493 9.596 1.00 0.00 H new ATOM 0 HA HIS B 55 0.791 -1.821 7.901 1.00 0.00 H new ATOM 0 HB2 HIS B 55 0.600 1.120 7.240 1.00 0.00 H new ATOM 0 HB3 HIS B 55 -0.233 -0.222 6.481 1.00 0.00 H new ATOM 0 HD1 HIS B 55 -1.648 -1.675 8.637 1.00 0.00 H new ATOM 0 HD2 HIS B 55 -1.204 2.489 8.717 1.00 0.00 H new ATOM 0 HE1 HIS B 55 -3.496 -0.783 10.141 1.00 0.00 H new ATOM 2339 N CYS B 56 2.692 -1.608 6.241 1.00 0.00 N ATOM 2340 CA CYS B 56 3.921 -1.575 5.455 1.00 0.00 C ATOM 2341 C CYS B 56 3.671 -1.817 3.971 1.00 0.00 C ATOM 2342 O CYS B 56 2.811 -2.608 3.585 1.00 0.00 O ATOM 2343 CB CYS B 56 4.916 -2.610 5.985 1.00 0.00 C ATOM 2344 SG CYS B 56 6.514 -2.585 5.142 1.00 0.00 S ATOM 0 H CYS B 56 2.048 -2.363 6.004 1.00 0.00 H new ATOM 0 HA CYS B 56 4.337 -0.573 5.559 1.00 0.00 H new ATOM 0 HB2 CYS B 56 5.075 -2.436 7.049 1.00 0.00 H new ATOM 0 HB3 CYS B 56 4.479 -3.604 5.886 1.00 0.00 H new ATOM 0 HG CYS B 56 6.866 -1.354 4.916 1.00 0.00 H new ATOM 2350 N ILE B 57 4.455 -1.125 3.149 1.00 0.00 N ATOM 2351 CA ILE B 57 4.369 -1.234 1.699 1.00 0.00 C ATOM 2352 C ILE B 57 5.775 -1.283 1.105 1.00 0.00 C ATOM 2353 O ILE B 57 6.676 -0.597 1.588 1.00 0.00 O ATOM 2354 CB ILE B 57 3.608 -0.038 1.091 1.00 0.00 C ATOM 2355 CG1 ILE B 57 2.260 0.155 1.789 1.00 0.00 C ATOM 2356 CG2 ILE B 57 3.408 -0.241 -0.402 1.00 0.00 C ATOM 2357 CD1 ILE B 57 1.300 -0.997 1.590 1.00 0.00 C ATOM 0 H ILE B 57 5.169 -0.472 3.472 1.00 0.00 H new ATOM 0 HA ILE B 57 3.825 -2.148 1.462 1.00 0.00 H new ATOM 0 HB ILE B 57 4.205 0.862 1.243 1.00 0.00 H new ATOM 0 HG12 ILE B 57 2.431 0.294 2.857 1.00 0.00 H new ATOM 0 HG13 ILE B 57 1.797 1.070 1.419 1.00 0.00 H new ATOM 0 HG21 ILE B 57 2.870 0.611 -0.816 1.00 0.00 H new ATOM 0 HG22 ILE B 57 4.378 -0.329 -0.890 1.00 0.00 H new ATOM 0 HG23 ILE B 57 2.832 -1.151 -0.572 1.00 0.00 H new ATOM 0 HD11 ILE B 57 0.367 -0.788 2.114 1.00 0.00 H new ATOM 0 HD12 ILE B 57 1.098 -1.123 0.526 1.00 0.00 H new ATOM 0 HD13 ILE B 57 1.742 -1.911 1.986 1.00 0.00 H new ATOM 2369 N VAL B 58 5.975 -2.095 0.068 1.00 0.00 N ATOM 2370 CA VAL B 58 7.292 -2.211 -0.549 1.00 0.00 C ATOM 2371 C VAL B 58 7.189 -2.651 -2.004 1.00 0.00 C ATOM 2372 O VAL B 58 6.434 -3.563 -2.335 1.00 0.00 O ATOM 2373 CB VAL B 58 8.181 -3.213 0.219 1.00 0.00 C ATOM 2374 CG1 VAL B 58 9.579 -3.273 -0.383 1.00 0.00 C ATOM 2375 CG2 VAL B 58 8.245 -2.848 1.695 1.00 0.00 C ATOM 0 H VAL B 58 5.251 -2.675 -0.357 1.00 0.00 H new ATOM 0 HA VAL B 58 7.747 -1.221 -0.509 1.00 0.00 H new ATOM 0 HB VAL B 58 7.733 -4.203 0.129 1.00 0.00 H new ATOM 0 HG11 VAL B 58 10.185 -3.986 0.176 1.00 0.00 H new ATOM 0 HG12 VAL B 58 9.514 -3.590 -1.424 1.00 0.00 H new ATOM 0 HG13 VAL B 58 10.040 -2.286 -0.332 1.00 0.00 H new ATOM 0 HG21 VAL B 58 8.876 -3.565 2.220 1.00 0.00 H new ATOM 0 HG22 VAL B 58 8.664 -1.848 1.805 1.00 0.00 H new ATOM 0 HG23 VAL B 58 7.241 -2.869 2.119 1.00 0.00 H new ATOM 2385 N GLY B 59 7.957 -1.993 -2.871 1.00 0.00 N ATOM 2386 CA GLY B 59 7.937 -2.337 -4.284 1.00 0.00 C ATOM 2387 C GLY B 59 8.794 -1.411 -5.128 1.00 0.00 C ATOM 2388 O GLY B 59 9.865 -0.983 -4.698 1.00 0.00 O ATOM 0 H GLY B 59 8.589 -1.232 -2.622 1.00 0.00 H new ATOM 0 HA2 GLY B 59 8.287 -3.362 -4.409 1.00 0.00 H new ATOM 0 HA3 GLY B 59 6.910 -2.304 -4.647 1.00 0.00 H new ATOM 2392 N ARG B 60 8.320 -1.102 -6.334 1.00 0.00 N ATOM 2393 CA ARG B 60 9.053 -0.219 -7.245 1.00 0.00 C ATOM 2394 C ARG B 60 8.136 0.361 -8.319 1.00 0.00 C ATOM 2395 O ARG B 60 8.582 0.664 -9.425 1.00 0.00 O ATOM 2396 CB ARG B 60 10.183 -0.983 -7.937 1.00 0.00 C ATOM 2397 CG ARG B 60 11.158 -1.653 -6.988 1.00 0.00 C ATOM 2398 CD ARG B 60 12.283 -2.324 -7.756 1.00 0.00 C ATOM 2399 NE ARG B 60 11.791 -3.361 -8.661 1.00 0.00 N ATOM 2400 CZ ARG B 60 11.211 -4.491 -8.257 1.00 0.00 C ATOM 2401 NH1 ARG B 60 11.086 -4.756 -6.963 1.00 0.00 N ATOM 2402 NH2 ARG B 60 10.768 -5.363 -9.150 1.00 0.00 N ATOM 0 H ARG B 60 7.435 -1.448 -6.704 1.00 0.00 H new ATOM 0 HA ARG B 60 9.461 0.594 -6.644 1.00 0.00 H new ATOM 0 HB2 ARG B 60 9.747 -1.742 -8.587 1.00 0.00 H new ATOM 0 HB3 ARG B 60 10.733 -0.293 -8.577 1.00 0.00 H new ATOM 0 HG2 ARG B 60 11.571 -0.914 -6.302 1.00 0.00 H new ATOM 0 HG3 ARG B 60 10.633 -2.392 -6.383 1.00 0.00 H new ATOM 0 HD2 ARG B 60 12.828 -1.573 -8.328 1.00 0.00 H new ATOM 0 HD3 ARG B 60 12.990 -2.764 -7.052 1.00 0.00 H new ATOM 0 HE ARG B 60 11.898 -3.211 -9.664 1.00 0.00 H new ATOM 0 HH11 ARG B 60 11.435 -4.093 -6.271 1.00 0.00 H new ATOM 0 HH12 ARG B 60 10.641 -5.623 -6.661 1.00 0.00 H new ATOM 0 HH21 ARG B 60 10.871 -5.170 -10.146 1.00 0.00 H new ATOM 0 HH22 ARG B 60 10.324 -6.228 -8.842 1.00 0.00 H new ATOM 2416 N ASN B 61 6.859 0.511 -7.988 1.00 0.00 N ATOM 2417 CA ASN B 61 5.868 1.051 -8.918 1.00 0.00 C ATOM 2418 C ASN B 61 4.462 0.814 -8.379 1.00 0.00 C ATOM 2419 O ASN B 61 3.805 -0.155 -8.753 1.00 0.00 O ATOM 2420 CB ASN B 61 6.004 0.403 -10.300 1.00 0.00 C ATOM 2421 CG ASN B 61 4.933 0.866 -11.268 1.00 0.00 C ATOM 2422 OD1 ASN B 61 4.869 2.040 -11.629 1.00 0.00 O ATOM 2423 ND2 ASN B 61 4.078 -0.059 -11.683 1.00 0.00 N ATOM 0 H ASN B 61 6.480 0.264 -7.074 1.00 0.00 H new ATOM 0 HA ASN B 61 6.044 2.122 -9.017 1.00 0.00 H new ATOM 0 HB2 ASN B 61 6.986 0.636 -10.712 1.00 0.00 H new ATOM 0 HB3 ASN B 61 5.951 -0.681 -10.196 1.00 0.00 H new ATOM 0 HD21 ASN B 61 3.329 0.192 -12.328 1.00 0.00 H new ATOM 0 HD22 ASN B 61 4.170 -1.021 -11.357 1.00 0.00 H new ATOM 2430 N PHE B 62 4.011 1.684 -7.482 1.00 0.00 N ATOM 2431 CA PHE B 62 2.689 1.522 -6.891 1.00 0.00 C ATOM 2432 C PHE B 62 2.212 2.777 -6.170 1.00 0.00 C ATOM 2433 O PHE B 62 2.958 3.406 -5.418 1.00 0.00 O ATOM 2434 CB PHE B 62 2.725 0.357 -5.907 1.00 0.00 C ATOM 2435 CG PHE B 62 3.665 0.589 -4.757 1.00 0.00 C ATOM 2436 CD1 PHE B 62 3.295 1.401 -3.697 1.00 0.00 C ATOM 2437 CD2 PHE B 62 4.926 0.015 -4.746 1.00 0.00 C ATOM 2438 CE1 PHE B 62 4.162 1.634 -2.647 1.00 0.00 C ATOM 2439 CE2 PHE B 62 5.796 0.242 -3.696 1.00 0.00 C ATOM 2440 CZ PHE B 62 5.415 1.053 -2.646 1.00 0.00 C ATOM 0 H PHE B 62 4.532 2.496 -7.152 1.00 0.00 H new ATOM 0 HA PHE B 62 1.986 1.328 -7.701 1.00 0.00 H new ATOM 0 HB2 PHE B 62 1.721 0.185 -5.519 1.00 0.00 H new ATOM 0 HB3 PHE B 62 3.023 -0.549 -6.435 1.00 0.00 H new ATOM 0 HD1 PHE B 62 2.316 1.858 -3.692 1.00 0.00 H new ATOM 0 HD2 PHE B 62 5.233 -0.617 -5.567 1.00 0.00 H new ATOM 0 HE1 PHE B 62 3.860 2.270 -1.828 1.00 0.00 H new ATOM 0 HE2 PHE B 62 6.774 -0.215 -3.697 1.00 0.00 H new ATOM 0 HZ PHE B 62 6.095 1.233 -1.826 1.00 0.00 H new ATOM 2450 N GLY B 63 0.943 3.109 -6.383 1.00 0.00 N ATOM 2451 CA GLY B 63 0.346 4.256 -5.722 1.00 0.00 C ATOM 2452 C GLY B 63 -0.261 3.845 -4.396 1.00 0.00 C ATOM 2453 O GLY B 63 -0.889 2.791 -4.310 1.00 0.00 O ATOM 0 H GLY B 63 0.314 2.601 -7.005 1.00 0.00 H new ATOM 0 HA2 GLY B 63 1.102 5.025 -5.560 1.00 0.00 H new ATOM 0 HA3 GLY B 63 -0.422 4.693 -6.361 1.00 0.00 H new ATOM 2457 N SER B 64 -0.067 4.646 -3.352 1.00 0.00 N ATOM 2458 CA SER B 64 -0.599 4.291 -2.039 1.00 0.00 C ATOM 2459 C SER B 64 -1.225 5.479 -1.316 1.00 0.00 C ATOM 2460 O SER B 64 -0.798 6.625 -1.473 1.00 0.00 O ATOM 2461 CB SER B 64 0.505 3.684 -1.173 1.00 0.00 C ATOM 2462 OG SER B 64 1.046 2.521 -1.776 1.00 0.00 O ATOM 0 H SER B 64 0.444 5.528 -3.386 1.00 0.00 H new ATOM 0 HA SER B 64 -1.390 3.560 -2.205 1.00 0.00 H new ATOM 0 HB2 SER B 64 1.295 4.418 -1.019 1.00 0.00 H new ATOM 0 HB3 SER B 64 0.105 3.435 -0.190 1.00 0.00 H new ATOM 0 HG SER B 64 1.984 2.680 -2.009 1.00 0.00 H new ATOM 2468 N TYR B 65 -2.239 5.173 -0.506 1.00 0.00 N ATOM 2469 CA TYR B 65 -2.948 6.175 0.279 1.00 0.00 C ATOM 2470 C TYR B 65 -3.430 5.544 1.584 1.00 0.00 C ATOM 2471 O TYR B 65 -3.994 4.450 1.581 1.00 0.00 O ATOM 2472 CB TYR B 65 -4.133 6.733 -0.514 1.00 0.00 C ATOM 2473 CG TYR B 65 -4.706 8.008 0.062 1.00 0.00 C ATOM 2474 CD1 TYR B 65 -5.241 8.042 1.344 1.00 0.00 C ATOM 2475 CD2 TYR B 65 -4.710 9.183 -0.680 1.00 0.00 C ATOM 2476 CE1 TYR B 65 -5.761 9.210 1.869 1.00 0.00 C ATOM 2477 CE2 TYR B 65 -5.228 10.354 -0.163 1.00 0.00 C ATOM 2478 CZ TYR B 65 -5.752 10.362 1.112 1.00 0.00 C ATOM 2479 OH TYR B 65 -6.269 11.527 1.632 1.00 0.00 O ATOM 0 H TYR B 65 -2.589 4.224 -0.378 1.00 0.00 H new ATOM 0 HA TYR B 65 -2.273 7.000 0.506 1.00 0.00 H new ATOM 0 HB2 TYR B 65 -3.816 6.919 -1.540 1.00 0.00 H new ATOM 0 HB3 TYR B 65 -4.919 5.978 -0.555 1.00 0.00 H new ATOM 0 HD1 TYR B 65 -5.251 7.141 1.940 1.00 0.00 H new ATOM 0 HD2 TYR B 65 -4.300 9.180 -1.679 1.00 0.00 H new ATOM 0 HE1 TYR B 65 -6.172 9.220 2.868 1.00 0.00 H new ATOM 0 HE2 TYR B 65 -5.223 11.258 -0.754 1.00 0.00 H new ATOM 0 HH TYR B 65 -5.574 12.218 1.642 1.00 0.00 H new ATOM 2489 N VAL B 66 -3.177 6.222 2.700 1.00 0.00 N ATOM 2490 CA VAL B 66 -3.553 5.712 4.019 1.00 0.00 C ATOM 2491 C VAL B 66 -3.643 6.844 5.042 1.00 0.00 C ATOM 2492 O VAL B 66 -3.159 7.941 4.797 1.00 0.00 O ATOM 2493 CB VAL B 66 -2.507 4.693 4.526 1.00 0.00 C ATOM 2494 CG1 VAL B 66 -2.930 4.088 5.853 1.00 0.00 C ATOM 2495 CG2 VAL B 66 -2.262 3.603 3.493 1.00 0.00 C ATOM 0 H VAL B 66 -2.712 7.129 2.719 1.00 0.00 H new ATOM 0 HA VAL B 66 -4.527 5.233 3.912 1.00 0.00 H new ATOM 0 HB VAL B 66 -1.571 5.230 4.683 1.00 0.00 H new ATOM 0 HG11 VAL B 66 -2.175 3.375 6.185 1.00 0.00 H new ATOM 0 HG12 VAL B 66 -3.035 4.878 6.596 1.00 0.00 H new ATOM 0 HG13 VAL B 66 -3.884 3.576 5.732 1.00 0.00 H new ATOM 0 HG21 VAL B 66 -1.522 2.899 3.875 1.00 0.00 H new ATOM 0 HG22 VAL B 66 -3.195 3.076 3.292 1.00 0.00 H new ATOM 0 HG23 VAL B 66 -1.893 4.052 2.571 1.00 0.00 H new ATOM 2505 N THR B 67 -4.252 6.562 6.194 1.00 0.00 N ATOM 2506 CA THR B 67 -4.379 7.552 7.264 1.00 0.00 C ATOM 2507 C THR B 67 -3.612 7.078 8.494 1.00 0.00 C ATOM 2508 O THR B 67 -3.450 5.878 8.706 1.00 0.00 O ATOM 2509 CB THR B 67 -5.851 7.786 7.608 1.00 0.00 C ATOM 2510 OG1 THR B 67 -6.561 8.255 6.475 1.00 0.00 O ATOM 2511 CG2 THR B 67 -6.054 8.787 8.723 1.00 0.00 C ATOM 0 H THR B 67 -4.666 5.655 6.410 1.00 0.00 H new ATOM 0 HA THR B 67 -3.957 8.498 6.924 1.00 0.00 H new ATOM 0 HB THR B 67 -6.228 6.818 7.939 1.00 0.00 H new ATOM 0 HG1 THR B 67 -7.501 8.397 6.714 1.00 0.00 H new ATOM 0 HG21 THR B 67 -7.120 8.905 8.916 1.00 0.00 H new ATOM 0 HG22 THR B 67 -5.559 8.431 9.626 1.00 0.00 H new ATOM 0 HG23 THR B 67 -5.629 9.748 8.431 1.00 0.00 H new ATOM 2519 N HIS B 68 -3.109 8.021 9.286 1.00 0.00 N ATOM 2520 CA HIS B 68 -2.327 7.667 10.463 1.00 0.00 C ATOM 2521 C HIS B 68 -2.139 8.853 11.403 1.00 0.00 C ATOM 2522 O HIS B 68 -1.950 9.987 10.963 1.00 0.00 O ATOM 2523 CB HIS B 68 -0.968 7.158 10.003 1.00 0.00 C ATOM 2524 CG HIS B 68 -0.267 8.139 9.118 1.00 0.00 C ATOM 2525 ND1 HIS B 68 0.358 9.270 9.596 1.00 0.00 N ATOM 2526 CD2 HIS B 68 -0.143 8.183 7.771 1.00 0.00 C ATOM 2527 CE1 HIS B 68 0.836 9.967 8.583 1.00 0.00 C ATOM 2528 NE2 HIS B 68 0.547 9.330 7.463 1.00 0.00 N ATOM 0 H HIS B 68 -3.227 9.023 9.136 1.00 0.00 H new ATOM 0 HA HIS B 68 -2.864 6.897 11.017 1.00 0.00 H new ATOM 0 HB2 HIS B 68 -0.347 6.948 10.874 1.00 0.00 H new ATOM 0 HB3 HIS B 68 -1.096 6.217 9.469 1.00 0.00 H new ATOM 0 HD1 HIS B 68 0.439 9.528 10.580 1.00 0.00 H new ATOM 0 HD2 HIS B 68 -0.517 7.452 7.069 1.00 0.00 H new ATOM 0 HE1 HIS B 68 1.373 10.901 8.657 1.00 0.00 H new ATOM 2537 N GLU B 69 -2.179 8.577 12.703 1.00 0.00 N ATOM 2538 CA GLU B 69 -2.005 9.612 13.717 1.00 0.00 C ATOM 2539 C GLU B 69 -0.600 10.213 13.644 1.00 0.00 C ATOM 2540 O GLU B 69 0.338 9.567 13.180 1.00 0.00 O ATOM 2541 CB GLU B 69 -2.244 9.035 15.111 1.00 0.00 C ATOM 2542 CG GLU B 69 -1.231 7.975 15.503 1.00 0.00 C ATOM 2543 CD GLU B 69 -1.453 7.441 16.906 1.00 0.00 C ATOM 2544 OE1 GLU B 69 -2.402 7.901 17.576 1.00 0.00 O ATOM 2545 OE2 GLU B 69 -0.675 6.563 17.336 1.00 0.00 O ATOM 0 H GLU B 69 -2.331 7.642 13.080 1.00 0.00 H new ATOM 0 HA GLU B 69 -2.734 10.399 13.524 1.00 0.00 H new ATOM 0 HB2 GLU B 69 -2.215 9.844 15.841 1.00 0.00 H new ATOM 0 HB3 GLU B 69 -3.245 8.604 15.152 1.00 0.00 H new ATOM 0 HG2 GLU B 69 -1.282 7.150 14.793 1.00 0.00 H new ATOM 0 HG3 GLU B 69 -0.227 8.394 15.433 1.00 0.00 H new ATOM 2552 N THR B 70 -0.468 11.453 14.105 1.00 0.00 N ATOM 2553 CA THR B 70 0.820 12.144 14.092 1.00 0.00 C ATOM 2554 C THR B 70 1.884 11.373 14.866 1.00 0.00 C ATOM 2555 O THR B 70 1.577 10.624 15.796 1.00 0.00 O ATOM 2556 CB THR B 70 0.679 13.549 14.677 1.00 0.00 C ATOM 2557 OG1 THR B 70 0.103 13.501 15.970 1.00 0.00 O ATOM 2558 CG2 THR B 70 -0.165 14.475 13.829 1.00 0.00 C ATOM 0 H THR B 70 -1.236 12.001 14.492 1.00 0.00 H new ATOM 0 HA THR B 70 1.139 12.212 13.052 1.00 0.00 H new ATOM 0 HB THR B 70 1.694 13.946 14.712 1.00 0.00 H new ATOM 0 HG1 THR B 70 0.023 14.410 16.327 1.00 0.00 H new ATOM 0 HG21 THR B 70 -0.222 15.454 14.305 1.00 0.00 H new ATOM 0 HG22 THR B 70 0.286 14.577 12.842 1.00 0.00 H new ATOM 0 HG23 THR B 70 -1.169 14.062 13.728 1.00 0.00 H new ATOM 2566 N LYS B 71 3.140 11.571 14.472 1.00 0.00 N ATOM 2567 CA LYS B 71 4.272 10.912 15.114 1.00 0.00 C ATOM 2568 C LYS B 71 4.232 9.407 14.891 1.00 0.00 C ATOM 2569 O LYS B 71 4.579 8.626 15.776 1.00 0.00 O ATOM 2570 CB LYS B 71 4.298 11.230 16.609 1.00 0.00 C ATOM 2571 CG LYS B 71 4.374 12.718 16.902 1.00 0.00 C ATOM 2572 CD LYS B 71 5.559 13.361 16.198 1.00 0.00 C ATOM 2573 CE LYS B 71 5.569 14.869 16.384 1.00 0.00 C ATOM 2574 NZ LYS B 71 4.324 15.500 15.867 1.00 0.00 N ATOM 0 H LYS B 71 3.400 12.189 13.703 1.00 0.00 H new ATOM 0 HA LYS B 71 5.185 11.295 14.659 1.00 0.00 H new ATOM 0 HB2 LYS B 71 3.403 10.819 17.077 1.00 0.00 H new ATOM 0 HB3 LYS B 71 5.154 10.732 17.065 1.00 0.00 H new ATOM 0 HG2 LYS B 71 3.451 13.201 16.581 1.00 0.00 H new ATOM 0 HG3 LYS B 71 4.458 12.875 17.977 1.00 0.00 H new ATOM 0 HD2 LYS B 71 6.486 12.940 16.587 1.00 0.00 H new ATOM 0 HD3 LYS B 71 5.523 13.125 15.134 1.00 0.00 H new ATOM 0 HE2 LYS B 71 5.682 15.104 17.442 1.00 0.00 H new ATOM 0 HE3 LYS B 71 6.431 15.293 15.869 1.00 0.00 H new ATOM 0 HZ1 LYS B 71 4.472 16.524 15.760 1.00 0.00 H new ATOM 0 HZ2 LYS B 71 4.083 15.086 14.944 1.00 0.00 H new ATOM 0 HZ3 LYS B 71 3.546 15.331 16.536 1.00 0.00 H new ATOM 2588 N HIS B 72 3.824 9.020 13.689 1.00 0.00 N ATOM 2589 CA HIS B 72 3.743 7.616 13.307 1.00 0.00 C ATOM 2590 C HIS B 72 3.613 7.493 11.794 1.00 0.00 C ATOM 2591 O HIS B 72 2.561 7.125 11.273 1.00 0.00 O ATOM 2592 CB HIS B 72 2.567 6.927 14.005 1.00 0.00 C ATOM 2593 CG HIS B 72 2.772 6.747 15.479 1.00 0.00 C ATOM 2594 ND1 HIS B 72 3.831 6.037 16.006 1.00 0.00 N ATOM 2595 CD2 HIS B 72 2.060 7.198 16.540 1.00 0.00 C ATOM 2596 CE1 HIS B 72 3.761 6.058 17.325 1.00 0.00 C ATOM 2597 NE2 HIS B 72 2.696 6.756 17.674 1.00 0.00 N ATOM 0 H HIS B 72 3.541 9.668 12.954 1.00 0.00 H new ATOM 0 HA HIS B 72 4.660 7.119 13.623 1.00 0.00 H new ATOM 0 HB2 HIS B 72 1.663 7.513 13.840 1.00 0.00 H new ATOM 0 HB3 HIS B 72 2.403 5.952 13.547 1.00 0.00 H new ATOM 0 HD2 HIS B 72 1.160 7.794 16.501 1.00 0.00 H new ATOM 0 HE1 HIS B 72 4.456 5.585 18.002 1.00 0.00 H new ATOM 0 HE2 HIS B 72 2.394 6.938 18.631 1.00 0.00 H new ATOM 2606 N PHE B 73 4.698 7.826 11.099 1.00 0.00 N ATOM 2607 CA PHE B 73 4.730 7.779 9.642 1.00 0.00 C ATOM 2608 C PHE B 73 6.168 7.858 9.139 1.00 0.00 C ATOM 2609 O PHE B 73 6.898 8.789 9.478 1.00 0.00 O ATOM 2610 CB PHE B 73 3.916 8.945 9.068 1.00 0.00 C ATOM 2611 CG PHE B 73 3.990 9.080 7.569 1.00 0.00 C ATOM 2612 CD1 PHE B 73 4.339 8.002 6.768 1.00 0.00 C ATOM 2613 CD2 PHE B 73 3.705 10.293 6.960 1.00 0.00 C ATOM 2614 CE1 PHE B 73 4.405 8.133 5.394 1.00 0.00 C ATOM 2615 CE2 PHE B 73 3.770 10.431 5.586 1.00 0.00 C ATOM 2616 CZ PHE B 73 4.122 9.349 4.802 1.00 0.00 C ATOM 0 H PHE B 73 5.572 8.133 11.526 1.00 0.00 H new ATOM 0 HA PHE B 73 4.294 6.836 9.312 1.00 0.00 H new ATOM 0 HB2 PHE B 73 2.873 8.821 9.358 1.00 0.00 H new ATOM 0 HB3 PHE B 73 4.265 9.873 9.521 1.00 0.00 H new ATOM 0 HD1 PHE B 73 4.562 7.049 7.224 1.00 0.00 H new ATOM 0 HD2 PHE B 73 3.428 11.142 7.568 1.00 0.00 H new ATOM 0 HE1 PHE B 73 4.678 7.285 4.783 1.00 0.00 H new ATOM 0 HE2 PHE B 73 3.546 11.382 5.126 1.00 0.00 H new ATOM 0 HZ PHE B 73 4.176 9.454 3.728 1.00 0.00 H new ATOM 2626 N ILE B 74 6.576 6.887 8.325 1.00 0.00 N ATOM 2627 CA ILE B 74 7.929 6.879 7.789 1.00 0.00 C ATOM 2628 C ILE B 74 7.988 6.194 6.427 1.00 0.00 C ATOM 2629 O ILE B 74 7.311 5.195 6.186 1.00 0.00 O ATOM 2630 CB ILE B 74 8.916 6.186 8.749 1.00 0.00 C ATOM 2631 CG1 ILE B 74 10.340 6.261 8.194 1.00 0.00 C ATOM 2632 CG2 ILE B 74 8.508 4.738 8.979 1.00 0.00 C ATOM 2633 CD1 ILE B 74 11.373 5.648 9.109 1.00 0.00 C ATOM 0 H ILE B 74 5.994 6.105 8.026 1.00 0.00 H new ATOM 0 HA ILE B 74 8.222 7.923 7.674 1.00 0.00 H new ATOM 0 HB ILE B 74 8.891 6.706 9.707 1.00 0.00 H new ATOM 0 HG12 ILE B 74 10.373 5.754 7.229 1.00 0.00 H new ATOM 0 HG13 ILE B 74 10.598 7.305 8.015 1.00 0.00 H new ATOM 0 HG21 ILE B 74 9.216 4.264 9.659 1.00 0.00 H new ATOM 0 HG22 ILE B 74 7.509 4.706 9.415 1.00 0.00 H new ATOM 0 HG23 ILE B 74 8.506 4.205 8.028 1.00 0.00 H new ATOM 0 HD11 ILE B 74 12.360 5.736 8.654 1.00 0.00 H new ATOM 0 HD12 ILE B 74 11.367 6.170 10.066 1.00 0.00 H new ATOM 0 HD13 ILE B 74 11.139 4.595 9.268 1.00 0.00 H new ATOM 2645 N TYR B 75 8.808 6.751 5.545 1.00 0.00 N ATOM 2646 CA TYR B 75 8.981 6.220 4.200 1.00 0.00 C ATOM 2647 C TYR B 75 10.412 6.457 3.736 1.00 0.00 C ATOM 2648 O TYR B 75 10.985 7.515 3.992 1.00 0.00 O ATOM 2649 CB TYR B 75 7.998 6.892 3.239 1.00 0.00 C ATOM 2650 CG TYR B 75 8.053 6.352 1.828 1.00 0.00 C ATOM 2651 CD1 TYR B 75 7.783 5.015 1.564 1.00 0.00 C ATOM 2652 CD2 TYR B 75 8.373 7.180 0.761 1.00 0.00 C ATOM 2653 CE1 TYR B 75 7.830 4.519 0.275 1.00 0.00 C ATOM 2654 CE2 TYR B 75 8.421 6.693 -0.530 1.00 0.00 C ATOM 2655 CZ TYR B 75 8.150 5.362 -0.768 1.00 0.00 C ATOM 2656 OH TYR B 75 8.197 4.872 -2.054 1.00 0.00 O ATOM 0 H TYR B 75 9.369 7.580 5.741 1.00 0.00 H new ATOM 0 HA TYR B 75 8.782 5.148 4.210 1.00 0.00 H new ATOM 0 HB2 TYR B 75 6.986 6.769 3.625 1.00 0.00 H new ATOM 0 HB3 TYR B 75 8.202 7.962 3.216 1.00 0.00 H new ATOM 0 HD1 TYR B 75 7.532 4.353 2.379 1.00 0.00 H new ATOM 0 HD2 TYR B 75 8.588 8.222 0.944 1.00 0.00 H new ATOM 0 HE1 TYR B 75 7.617 3.477 0.086 1.00 0.00 H new ATOM 0 HE2 TYR B 75 8.670 7.351 -1.349 1.00 0.00 H new ATOM 0 HH TYR B 75 8.894 5.342 -2.558 1.00 0.00 H new ATOM 2666 N PHE B 76 10.998 5.469 3.069 1.00 0.00 N ATOM 2667 CA PHE B 76 12.372 5.595 2.604 1.00 0.00 C ATOM 2668 C PHE B 76 12.734 4.499 1.605 1.00 0.00 C ATOM 2669 O PHE B 76 12.366 3.337 1.776 1.00 0.00 O ATOM 2670 CB PHE B 76 13.325 5.558 3.804 1.00 0.00 C ATOM 2671 CG PHE B 76 13.205 4.314 4.640 1.00 0.00 C ATOM 2672 CD1 PHE B 76 13.618 3.087 4.145 1.00 0.00 C ATOM 2673 CD2 PHE B 76 12.674 4.372 5.918 1.00 0.00 C ATOM 2674 CE1 PHE B 76 13.507 1.943 4.911 1.00 0.00 C ATOM 2675 CE2 PHE B 76 12.559 3.230 6.688 1.00 0.00 C ATOM 2676 CZ PHE B 76 12.975 2.013 6.184 1.00 0.00 C ATOM 0 H PHE B 76 10.549 4.582 2.841 1.00 0.00 H new ATOM 0 HA PHE B 76 12.470 6.550 2.088 1.00 0.00 H new ATOM 0 HB2 PHE B 76 14.350 5.644 3.444 1.00 0.00 H new ATOM 0 HB3 PHE B 76 13.134 6.427 4.434 1.00 0.00 H new ATOM 0 HD1 PHE B 76 14.031 3.025 3.149 1.00 0.00 H new ATOM 0 HD2 PHE B 76 12.346 5.320 6.317 1.00 0.00 H new ATOM 0 HE1 PHE B 76 13.836 0.994 4.515 1.00 0.00 H new ATOM 0 HE2 PHE B 76 12.144 3.289 7.683 1.00 0.00 H new ATOM 0 HZ PHE B 76 12.885 1.119 6.783 1.00 0.00 H new ATOM 2686 N TYR B 77 13.464 4.885 0.561 1.00 0.00 N ATOM 2687 CA TYR B 77 13.891 3.944 -0.469 1.00 0.00 C ATOM 2688 C TYR B 77 15.146 3.201 -0.024 1.00 0.00 C ATOM 2689 O TYR B 77 15.965 3.746 0.712 1.00 0.00 O ATOM 2690 CB TYR B 77 14.151 4.669 -1.791 1.00 0.00 C ATOM 2691 CG TYR B 77 12.910 5.274 -2.409 1.00 0.00 C ATOM 2692 CD1 TYR B 77 12.217 6.298 -1.771 1.00 0.00 C ATOM 2693 CD2 TYR B 77 12.428 4.820 -3.630 1.00 0.00 C ATOM 2694 CE1 TYR B 77 11.082 6.850 -2.334 1.00 0.00 C ATOM 2695 CE2 TYR B 77 11.295 5.368 -4.200 1.00 0.00 C ATOM 2696 CZ TYR B 77 10.627 6.382 -3.548 1.00 0.00 C ATOM 2697 OH TYR B 77 9.497 6.930 -4.112 1.00 0.00 O ATOM 0 H TYR B 77 13.772 5.845 0.407 1.00 0.00 H new ATOM 0 HA TYR B 77 13.090 3.221 -0.622 1.00 0.00 H new ATOM 0 HB2 TYR B 77 14.884 5.458 -1.624 1.00 0.00 H new ATOM 0 HB3 TYR B 77 14.593 3.968 -2.499 1.00 0.00 H new ATOM 0 HD1 TYR B 77 12.572 6.668 -0.820 1.00 0.00 H new ATOM 0 HD2 TYR B 77 12.948 4.025 -4.143 1.00 0.00 H new ATOM 0 HE1 TYR B 77 10.555 7.644 -1.826 1.00 0.00 H new ATOM 0 HE2 TYR B 77 10.935 5.004 -5.151 1.00 0.00 H new ATOM 0 HH TYR B 77 9.311 6.489 -4.967 1.00 0.00 H new ATOM 2707 N LEU B 78 15.285 1.955 -0.463 1.00 0.00 N ATOM 2708 CA LEU B 78 16.439 1.142 -0.093 1.00 0.00 C ATOM 2709 C LEU B 78 16.496 -0.146 -0.911 1.00 0.00 C ATOM 2710 O LEU B 78 15.465 -0.738 -1.225 1.00 0.00 O ATOM 2711 CB LEU B 78 16.384 0.802 1.395 1.00 0.00 C ATOM 2712 CG LEU B 78 17.571 -0.005 1.925 1.00 0.00 C ATOM 2713 CD1 LEU B 78 18.861 0.793 1.805 1.00 0.00 C ATOM 2714 CD2 LEU B 78 17.328 -0.424 3.369 1.00 0.00 C ATOM 0 H LEU B 78 14.616 1.486 -1.074 1.00 0.00 H new ATOM 0 HA LEU B 78 17.338 1.722 -0.304 1.00 0.00 H new ATOM 0 HB2 LEU B 78 16.316 1.731 1.961 1.00 0.00 H new ATOM 0 HB3 LEU B 78 15.469 0.242 1.589 1.00 0.00 H new ATOM 0 HG LEU B 78 17.672 -0.905 1.319 1.00 0.00 H new ATOM 0 HD11 LEU B 78 19.692 0.201 2.187 1.00 0.00 H new ATOM 0 HD12 LEU B 78 19.041 1.038 0.758 1.00 0.00 H new ATOM 0 HD13 LEU B 78 18.775 1.713 2.383 1.00 0.00 H new ATOM 0 HD21 LEU B 78 18.182 -0.997 3.730 1.00 0.00 H new ATOM 0 HD22 LEU B 78 17.198 0.463 3.988 1.00 0.00 H new ATOM 0 HD23 LEU B 78 16.430 -1.039 3.423 1.00 0.00 H new ATOM 2726 N GLY B 79 17.709 -0.574 -1.249 1.00 0.00 N ATOM 2727 CA GLY B 79 17.884 -1.792 -2.020 1.00 0.00 C ATOM 2728 C GLY B 79 17.119 -1.768 -3.325 1.00 0.00 C ATOM 2729 O GLY B 79 16.514 -2.764 -3.720 1.00 0.00 O ATOM 0 H GLY B 79 18.576 -0.097 -1.002 1.00 0.00 H new ATOM 0 HA2 GLY B 79 18.944 -1.938 -2.227 1.00 0.00 H new ATOM 0 HA3 GLY B 79 17.555 -2.645 -1.426 1.00 0.00 H new ATOM 2733 N GLN B 80 17.145 -0.623 -3.994 1.00 0.00 N ATOM 2734 CA GLN B 80 16.449 -0.459 -5.262 1.00 0.00 C ATOM 2735 C GLN B 80 14.966 -0.789 -5.107 1.00 0.00 C ATOM 2736 O GLN B 80 14.339 -1.339 -6.011 1.00 0.00 O ATOM 2737 CB GLN B 80 17.085 -1.351 -6.333 1.00 0.00 C ATOM 2738 CG GLN B 80 16.557 -1.100 -7.738 1.00 0.00 C ATOM 2739 CD GLN B 80 17.240 -1.966 -8.779 1.00 0.00 C ATOM 2740 OE1 GLN B 80 17.185 -3.195 -8.715 1.00 0.00 O ATOM 2741 NE2 GLN B 80 17.889 -1.329 -9.748 1.00 0.00 N ATOM 0 H GLN B 80 17.643 0.209 -3.677 1.00 0.00 H new ATOM 0 HA GLN B 80 16.538 0.581 -5.574 1.00 0.00 H new ATOM 0 HB2 GLN B 80 18.164 -1.195 -6.328 1.00 0.00 H new ATOM 0 HB3 GLN B 80 16.912 -2.395 -6.072 1.00 0.00 H new ATOM 0 HG2 GLN B 80 15.484 -1.291 -7.759 1.00 0.00 H new ATOM 0 HG3 GLN B 80 16.699 -0.050 -7.994 1.00 0.00 H new ATOM 0 HE21 GLN B 80 17.910 -0.309 -9.763 1.00 0.00 H new ATOM 0 HE22 GLN B 80 18.367 -1.860 -10.476 1.00 0.00 H new ATOM 2750 N VAL B 81 14.409 -0.444 -3.949 1.00 0.00 N ATOM 2751 CA VAL B 81 13.002 -0.693 -3.667 1.00 0.00 C ATOM 2752 C VAL B 81 12.496 0.234 -2.571 1.00 0.00 C ATOM 2753 O VAL B 81 13.139 0.397 -1.536 1.00 0.00 O ATOM 2754 CB VAL B 81 12.749 -2.156 -3.240 1.00 0.00 C ATOM 2755 CG1 VAL B 81 13.062 -3.111 -4.379 1.00 0.00 C ATOM 2756 CG2 VAL B 81 13.568 -2.507 -2.008 1.00 0.00 C ATOM 0 H VAL B 81 14.915 0.011 -3.189 1.00 0.00 H new ATOM 0 HA VAL B 81 12.460 -0.500 -4.593 1.00 0.00 H new ATOM 0 HB VAL B 81 11.693 -2.258 -2.989 1.00 0.00 H new ATOM 0 HG11 VAL B 81 12.877 -4.135 -4.056 1.00 0.00 H new ATOM 0 HG12 VAL B 81 12.426 -2.879 -5.233 1.00 0.00 H new ATOM 0 HG13 VAL B 81 14.108 -3.005 -4.666 1.00 0.00 H new ATOM 0 HG21 VAL B 81 13.374 -3.542 -1.725 1.00 0.00 H new ATOM 0 HG22 VAL B 81 14.628 -2.384 -2.229 1.00 0.00 H new ATOM 0 HG23 VAL B 81 13.289 -1.848 -1.186 1.00 0.00 H new ATOM 2766 N ALA B 82 11.341 0.844 -2.808 1.00 0.00 N ATOM 2767 CA ALA B 82 10.746 1.757 -1.841 1.00 0.00 C ATOM 2768 C ALA B 82 10.099 0.996 -0.692 1.00 0.00 C ATOM 2769 O ALA B 82 9.424 -0.012 -0.908 1.00 0.00 O ATOM 2770 CB ALA B 82 9.727 2.657 -2.527 1.00 0.00 C ATOM 0 H ALA B 82 10.798 0.722 -3.663 1.00 0.00 H new ATOM 0 HA ALA B 82 11.540 2.377 -1.425 1.00 0.00 H new ATOM 0 HB1 ALA B 82 9.289 3.335 -1.795 1.00 0.00 H new ATOM 0 HB2 ALA B 82 10.220 3.236 -3.308 1.00 0.00 H new ATOM 0 HB3 ALA B 82 8.941 2.045 -2.970 1.00 0.00 H new ATOM 2776 N ILE B 83 10.303 1.487 0.530 1.00 0.00 N ATOM 2777 CA ILE B 83 9.731 0.857 1.717 1.00 0.00 C ATOM 2778 C ILE B 83 8.913 1.863 2.518 1.00 0.00 C ATOM 2779 O ILE B 83 9.299 3.023 2.657 1.00 0.00 O ATOM 2780 CB ILE B 83 10.814 0.256 2.643 1.00 0.00 C ATOM 2781 CG1 ILE B 83 11.717 -0.711 1.876 1.00 0.00 C ATOM 2782 CG2 ILE B 83 10.168 -0.451 3.826 1.00 0.00 C ATOM 2783 CD1 ILE B 83 12.829 -0.027 1.114 1.00 0.00 C ATOM 0 H ILE B 83 10.860 2.319 0.723 1.00 0.00 H new ATOM 0 HA ILE B 83 9.093 0.049 1.359 1.00 0.00 H new ATOM 0 HB ILE B 83 11.431 1.074 3.016 1.00 0.00 H new ATOM 0 HG12 ILE B 83 12.153 -1.422 2.578 1.00 0.00 H new ATOM 0 HG13 ILE B 83 11.109 -1.285 1.177 1.00 0.00 H new ATOM 0 HG21 ILE B 83 10.944 -0.869 4.468 1.00 0.00 H new ATOM 0 HG22 ILE B 83 9.571 0.262 4.395 1.00 0.00 H new ATOM 0 HG23 ILE B 83 9.526 -1.254 3.464 1.00 0.00 H new ATOM 0 HD11 ILE B 83 13.428 -0.775 0.595 1.00 0.00 H new ATOM 0 HD12 ILE B 83 12.401 0.663 0.387 1.00 0.00 H new ATOM 0 HD13 ILE B 83 13.461 0.525 1.810 1.00 0.00 H new ATOM 2795 N LEU B 84 7.783 1.407 3.047 1.00 0.00 N ATOM 2796 CA LEU B 84 6.909 2.263 3.840 1.00 0.00 C ATOM 2797 C LEU B 84 6.506 1.562 5.132 1.00 0.00 C ATOM 2798 O LEU B 84 6.318 0.345 5.154 1.00 0.00 O ATOM 2799 CB LEU B 84 5.661 2.637 3.038 1.00 0.00 C ATOM 2800 CG LEU B 84 4.664 3.534 3.773 1.00 0.00 C ATOM 2801 CD1 LEU B 84 5.304 4.869 4.129 1.00 0.00 C ATOM 2802 CD2 LEU B 84 3.417 3.748 2.927 1.00 0.00 C ATOM 0 H LEU B 84 7.451 0.449 2.941 1.00 0.00 H new ATOM 0 HA LEU B 84 7.454 3.173 4.090 1.00 0.00 H new ATOM 0 HB2 LEU B 84 5.973 3.140 2.123 1.00 0.00 H new ATOM 0 HB3 LEU B 84 5.151 1.721 2.740 1.00 0.00 H new ATOM 0 HG LEU B 84 4.372 3.037 4.698 1.00 0.00 H new ATOM 0 HD11 LEU B 84 4.578 5.493 4.651 1.00 0.00 H new ATOM 0 HD12 LEU B 84 6.166 4.699 4.773 1.00 0.00 H new ATOM 0 HD13 LEU B 84 5.626 5.373 3.218 1.00 0.00 H new ATOM 0 HD21 LEU B 84 2.718 4.388 3.465 1.00 0.00 H new ATOM 0 HD22 LEU B 84 3.693 4.223 1.985 1.00 0.00 H new ATOM 0 HD23 LEU B 84 2.946 2.786 2.724 1.00 0.00 H new ATOM 2814 N LEU B 85 6.379 2.330 6.210 1.00 0.00 N ATOM 2815 CA LEU B 85 6.005 1.766 7.500 1.00 0.00 C ATOM 2816 C LEU B 85 5.436 2.838 8.425 1.00 0.00 C ATOM 2817 O LEU B 85 5.945 3.958 8.483 1.00 0.00 O ATOM 2818 CB LEU B 85 7.209 1.098 8.162 1.00 0.00 C ATOM 2819 CG LEU B 85 6.913 0.414 9.495 1.00 0.00 C ATOM 2820 CD1 LEU B 85 5.932 -0.733 9.301 1.00 0.00 C ATOM 2821 CD2 LEU B 85 8.198 -0.083 10.139 1.00 0.00 C ATOM 0 H LEU B 85 6.529 3.339 6.215 1.00 0.00 H new ATOM 0 HA LEU B 85 5.233 1.017 7.323 1.00 0.00 H new ATOM 0 HB2 LEU B 85 7.619 0.359 7.474 1.00 0.00 H new ATOM 0 HB3 LEU B 85 7.982 1.850 8.320 1.00 0.00 H new ATOM 0 HG LEU B 85 6.457 1.146 10.162 1.00 0.00 H new ATOM 0 HD11 LEU B 85 5.733 -1.208 10.262 1.00 0.00 H new ATOM 0 HD12 LEU B 85 5.000 -0.349 8.887 1.00 0.00 H new ATOM 0 HD13 LEU B 85 6.359 -1.465 8.616 1.00 0.00 H new ATOM 0 HD21 LEU B 85 7.966 -0.567 11.088 1.00 0.00 H new ATOM 0 HD22 LEU B 85 8.684 -0.798 9.476 1.00 0.00 H new ATOM 0 HD23 LEU B 85 8.866 0.760 10.316 1.00 0.00 H new ATOM 2833 N PHE B 86 4.373 2.484 9.144 1.00 0.00 N ATOM 2834 CA PHE B 86 3.735 3.418 10.065 1.00 0.00 C ATOM 2835 C PHE B 86 2.581 2.754 10.814 1.00 0.00 C ATOM 2836 O PHE B 86 1.712 2.129 10.208 1.00 0.00 O ATOM 2837 CB PHE B 86 3.227 4.640 9.301 1.00 0.00 C ATOM 2838 CG PHE B 86 2.182 4.323 8.269 1.00 0.00 C ATOM 2839 CD1 PHE B 86 2.476 3.516 7.181 1.00 0.00 C ATOM 2840 CD2 PHE B 86 0.904 4.840 8.386 1.00 0.00 C ATOM 2841 CE1 PHE B 86 1.513 3.230 6.233 1.00 0.00 C ATOM 2842 CE2 PHE B 86 -0.062 4.559 7.442 1.00 0.00 C ATOM 2843 CZ PHE B 86 0.242 3.753 6.363 1.00 0.00 C ATOM 0 H PHE B 86 3.938 1.562 9.106 1.00 0.00 H new ATOM 0 HA PHE B 86 4.478 3.733 10.798 1.00 0.00 H new ATOM 0 HB2 PHE B 86 2.815 5.356 10.013 1.00 0.00 H new ATOM 0 HB3 PHE B 86 4.071 5.127 8.812 1.00 0.00 H new ATOM 0 HD1 PHE B 86 3.469 3.106 7.073 1.00 0.00 H new ATOM 0 HD2 PHE B 86 0.659 5.472 9.227 1.00 0.00 H new ATOM 0 HE1 PHE B 86 1.754 2.598 5.391 1.00 0.00 H new ATOM 0 HE2 PHE B 86 -1.056 4.969 7.547 1.00 0.00 H new ATOM 0 HZ PHE B 86 -0.513 3.532 5.623 1.00 0.00 H new ATOM 2853 N LYS B 87 2.580 2.892 12.140 1.00 0.00 N ATOM 2854 CA LYS B 87 1.533 2.300 12.967 1.00 0.00 C ATOM 2855 C LYS B 87 0.260 3.139 12.938 1.00 0.00 C ATOM 2856 O LYS B 87 0.282 4.309 12.558 1.00 0.00 O ATOM 2857 CB LYS B 87 1.999 2.124 14.415 1.00 0.00 C ATOM 2858 CG LYS B 87 2.161 3.429 15.177 1.00 0.00 C ATOM 2859 CD LYS B 87 2.219 3.184 16.677 1.00 0.00 C ATOM 2860 CE LYS B 87 3.446 2.379 17.068 1.00 0.00 C ATOM 2861 NZ LYS B 87 3.520 2.160 18.538 1.00 0.00 N ATOM 0 H LYS B 87 3.290 3.407 12.661 1.00 0.00 H new ATOM 0 HA LYS B 87 1.315 1.318 12.547 1.00 0.00 H new ATOM 0 HB2 LYS B 87 1.282 1.494 14.942 1.00 0.00 H new ATOM 0 HB3 LYS B 87 2.951 1.594 14.417 1.00 0.00 H new ATOM 0 HG2 LYS B 87 3.071 3.933 14.852 1.00 0.00 H new ATOM 0 HG3 LYS B 87 1.329 4.094 14.946 1.00 0.00 H new ATOM 0 HD2 LYS B 87 2.228 4.139 17.202 1.00 0.00 H new ATOM 0 HD3 LYS B 87 1.320 2.655 16.994 1.00 0.00 H new ATOM 0 HE2 LYS B 87 3.426 1.416 16.558 1.00 0.00 H new ATOM 0 HE3 LYS B 87 4.343 2.899 16.733 1.00 0.00 H new ATOM 0 HZ1 LYS B 87 4.355 2.649 18.920 1.00 0.00 H new ATOM 0 HZ2 LYS B 87 2.662 2.537 18.989 1.00 0.00 H new ATOM 0 HZ3 LYS B 87 3.595 1.141 18.734 1.00 0.00 H new ATOM 2875 N SER B 88 -0.848 2.530 13.349 1.00 0.00 N ATOM 2876 CA SER B 88 -2.132 3.216 13.379 1.00 0.00 C ATOM 2877 C SER B 88 -2.957 2.777 14.586 1.00 0.00 C ATOM 2878 O SER B 88 -3.060 1.588 14.884 1.00 0.00 O ATOM 2879 CB SER B 88 -2.909 2.943 12.093 1.00 0.00 C ATOM 2880 OG SER B 88 -2.189 3.391 10.957 1.00 0.00 O ATOM 0 H SER B 88 -0.881 1.561 13.666 1.00 0.00 H new ATOM 0 HA SER B 88 -1.941 4.286 13.461 1.00 0.00 H new ATOM 0 HB2 SER B 88 -3.107 1.875 12.004 1.00 0.00 H new ATOM 0 HB3 SER B 88 -3.876 3.444 12.135 1.00 0.00 H new ATOM 0 HG SER B 88 -2.807 3.519 10.207 1.00 0.00 H new ATOM 2886 N GLY B 89 -3.543 3.746 15.279 1.00 0.00 N ATOM 2887 CA GLY B 89 -4.350 3.440 16.445 1.00 0.00 C ATOM 2888 C GLY B 89 -4.935 4.681 17.088 1.00 0.00 C ATOM 2889 O GLY B 89 -6.012 4.576 17.713 1.00 0.00 O ATOM 2890 OXT GLY B 89 -4.317 5.760 16.969 1.00 0.00 O ATOM 0 H GLY B 89 -3.474 4.739 15.054 1.00 0.00 H new ATOM 0 HA2 GLY B 89 -5.159 2.768 16.157 1.00 0.00 H new ATOM 0 HA3 GLY B 89 -3.740 2.909 17.176 1.00 0.00 H new ATOM 2895 N MET C 1 -9.788 -9.558 13.130 1.00 0.00 N ATOM 2896 CA MET C 1 -8.616 -8.856 12.546 1.00 0.00 C ATOM 2897 C MET C 1 -7.693 -9.834 11.824 1.00 0.00 C ATOM 2898 O MET C 1 -7.448 -10.938 12.303 1.00 0.00 O ATOM 2899 CB MET C 1 -7.861 -8.147 13.670 1.00 0.00 C ATOM 2900 CG MET C 1 -8.696 -7.109 14.401 1.00 0.00 C ATOM 2901 SD MET C 1 -7.788 -6.294 15.729 1.00 0.00 S ATOM 2902 CE MET C 1 -7.390 -7.695 16.773 1.00 0.00 C ATOM 0 H1 MET C 1 -10.567 -8.882 13.262 1.00 0.00 H new ATOM 0 H2 MET C 1 -10.093 -10.317 12.488 1.00 0.00 H new ATOM 0 H3 MET C 1 -9.525 -9.967 14.049 1.00 0.00 H new ATOM 0 HA MET C 1 -8.963 -8.129 11.812 1.00 0.00 H new ATOM 0 HB2 MET C 1 -7.511 -8.890 14.387 1.00 0.00 H new ATOM 0 HB3 MET C 1 -6.977 -7.663 13.254 1.00 0.00 H new ATOM 0 HG2 MET C 1 -9.041 -6.359 13.689 1.00 0.00 H new ATOM 0 HG3 MET C 1 -9.584 -7.588 14.814 1.00 0.00 H new ATOM 0 HE1 MET C 1 -7.173 -7.346 17.783 1.00 0.00 H new ATOM 0 HE2 MET C 1 -8.237 -8.381 16.800 1.00 0.00 H new ATOM 0 HE3 MET C 1 -6.518 -8.211 16.372 1.00 0.00 H new ATOM 2914 N LYS C 2 -7.187 -9.416 10.668 1.00 0.00 N ATOM 2915 CA LYS C 2 -6.290 -10.250 9.876 1.00 0.00 C ATOM 2916 C LYS C 2 -5.400 -9.395 8.988 1.00 0.00 C ATOM 2917 O LYS C 2 -5.859 -8.441 8.361 1.00 0.00 O ATOM 2918 CB LYS C 2 -7.084 -11.239 9.021 1.00 0.00 C ATOM 2919 CG LYS C 2 -7.841 -12.278 9.833 1.00 0.00 C ATOM 2920 CD LYS C 2 -6.894 -13.154 10.639 1.00 0.00 C ATOM 2921 CE LYS C 2 -5.947 -13.928 9.738 1.00 0.00 C ATOM 2922 NZ LYS C 2 -6.679 -14.816 8.792 1.00 0.00 N ATOM 0 H LYS C 2 -7.383 -8.503 10.258 1.00 0.00 H new ATOM 0 HA LYS C 2 -5.659 -10.811 10.566 1.00 0.00 H new ATOM 0 HB2 LYS C 2 -7.792 -10.686 8.405 1.00 0.00 H new ATOM 0 HB3 LYS C 2 -6.401 -11.749 8.342 1.00 0.00 H new ATOM 0 HG2 LYS C 2 -8.538 -11.778 10.506 1.00 0.00 H new ATOM 0 HG3 LYS C 2 -8.435 -12.901 9.165 1.00 0.00 H new ATOM 0 HD2 LYS C 2 -6.318 -12.533 11.326 1.00 0.00 H new ATOM 0 HD3 LYS C 2 -7.471 -13.851 11.247 1.00 0.00 H new ATOM 0 HE2 LYS C 2 -5.329 -13.228 9.175 1.00 0.00 H new ATOM 0 HE3 LYS C 2 -5.273 -14.527 10.350 1.00 0.00 H new ATOM 0 HZ1 LYS C 2 -6.011 -15.482 8.353 1.00 0.00 H new ATOM 0 HZ2 LYS C 2 -7.408 -15.348 9.309 1.00 0.00 H new ATOM 0 HZ3 LYS C 2 -7.129 -14.240 8.053 1.00 0.00 H new ATOM 2936 N ASP C 3 -4.119 -9.740 8.952 1.00 0.00 N ATOM 2937 CA ASP C 3 -3.156 -8.997 8.154 1.00 0.00 C ATOM 2938 C ASP C 3 -3.232 -9.366 6.674 1.00 0.00 C ATOM 2939 O ASP C 3 -3.046 -10.523 6.297 1.00 0.00 O ATOM 2940 CB ASP C 3 -1.738 -9.225 8.687 1.00 0.00 C ATOM 2941 CG ASP C 3 -1.372 -10.696 8.772 1.00 0.00 C ATOM 2942 OD1 ASP C 3 -1.314 -11.358 7.716 1.00 0.00 O ATOM 2943 OD2 ASP C 3 -1.140 -11.183 9.899 1.00 0.00 O ATOM 0 H ASP C 3 -3.725 -10.528 9.466 1.00 0.00 H new ATOM 0 HA ASP C 3 -3.407 -7.940 8.239 1.00 0.00 H new ATOM 0 HB2 ASP C 3 -1.025 -8.714 8.040 1.00 0.00 H new ATOM 0 HB3 ASP C 3 -1.650 -8.775 9.676 1.00 0.00 H new ATOM 2948 N THR C 4 -3.492 -8.364 5.839 1.00 0.00 N ATOM 2949 CA THR C 4 -3.575 -8.559 4.404 1.00 0.00 C ATOM 2950 C THR C 4 -2.184 -8.797 3.826 1.00 0.00 C ATOM 2951 O THR C 4 -1.208 -8.193 4.273 1.00 0.00 O ATOM 2952 CB THR C 4 -4.207 -7.331 3.751 1.00 0.00 C ATOM 2953 OG1 THR C 4 -4.445 -7.562 2.374 1.00 0.00 O ATOM 2954 CG2 THR C 4 -3.351 -6.086 3.867 1.00 0.00 C ATOM 0 H THR C 4 -3.649 -7.402 6.140 1.00 0.00 H new ATOM 0 HA THR C 4 -4.195 -9.432 4.200 1.00 0.00 H new ATOM 0 HB THR C 4 -5.140 -7.164 4.290 1.00 0.00 H new ATOM 0 HG1 THR C 4 -5.410 -7.610 2.212 1.00 0.00 H new ATOM 0 HG21 THR C 4 -3.857 -5.250 3.383 1.00 0.00 H new ATOM 0 HG22 THR C 4 -3.189 -5.852 4.919 1.00 0.00 H new ATOM 0 HG23 THR C 4 -2.390 -6.259 3.382 1.00 0.00 H new ATOM 2962 N GLY C 5 -2.094 -9.676 2.838 1.00 0.00 N ATOM 2963 CA GLY C 5 -0.812 -9.967 2.227 1.00 0.00 C ATOM 2964 C GLY C 5 -0.895 -10.043 0.716 1.00 0.00 C ATOM 2965 O GLY C 5 -1.810 -10.659 0.169 1.00 0.00 O ATOM 0 H GLY C 5 -2.883 -10.192 2.449 1.00 0.00 H new ATOM 0 HA2 GLY C 5 -0.095 -9.197 2.510 1.00 0.00 H new ATOM 0 HA3 GLY C 5 -0.434 -10.913 2.615 1.00 0.00 H new ATOM 2969 N ILE C 6 0.061 -9.416 0.039 1.00 0.00 N ATOM 2970 CA ILE C 6 0.081 -9.418 -1.417 1.00 0.00 C ATOM 2971 C ILE C 6 1.491 -9.222 -1.958 1.00 0.00 C ATOM 2972 O ILE C 6 2.420 -8.909 -1.211 1.00 0.00 O ATOM 2973 CB ILE C 6 -0.833 -8.324 -2.001 1.00 0.00 C ATOM 2974 CG1 ILE C 6 -0.356 -6.941 -1.560 1.00 0.00 C ATOM 2975 CG2 ILE C 6 -2.277 -8.554 -1.578 1.00 0.00 C ATOM 2976 CD1 ILE C 6 -1.101 -5.807 -2.227 1.00 0.00 C ATOM 0 H ILE C 6 0.828 -8.903 0.473 1.00 0.00 H new ATOM 0 HA ILE C 6 -0.290 -10.395 -1.726 1.00 0.00 H new ATOM 0 HB ILE C 6 -0.783 -8.374 -3.089 1.00 0.00 H new ATOM 0 HG12 ILE C 6 -0.469 -6.854 -0.479 1.00 0.00 H new ATOM 0 HG13 ILE C 6 0.708 -6.845 -1.778 1.00 0.00 H new ATOM 0 HG21 ILE C 6 -2.909 -7.772 -1.999 1.00 0.00 H new ATOM 0 HG22 ILE C 6 -2.612 -9.526 -1.941 1.00 0.00 H new ATOM 0 HG23 ILE C 6 -2.346 -8.529 -0.490 1.00 0.00 H new ATOM 0 HD11 ILE C 6 -0.711 -4.855 -1.868 1.00 0.00 H new ATOM 0 HD12 ILE C 6 -0.968 -5.870 -3.307 1.00 0.00 H new ATOM 0 HD13 ILE C 6 -2.162 -5.878 -1.988 1.00 0.00 H new ATOM 2988 N GLN C 7 1.641 -9.413 -3.264 1.00 0.00 N ATOM 2989 CA GLN C 7 2.934 -9.266 -3.918 1.00 0.00 C ATOM 2990 C GLN C 7 2.775 -9.136 -5.431 1.00 0.00 C ATOM 2991 O GLN C 7 3.151 -10.032 -6.185 1.00 0.00 O ATOM 2992 CB GLN C 7 3.829 -10.465 -3.593 1.00 0.00 C ATOM 2993 CG GLN C 7 3.207 -11.807 -3.959 1.00 0.00 C ATOM 2994 CD GLN C 7 4.162 -12.969 -3.765 1.00 0.00 C ATOM 2995 OE1 GLN C 7 5.229 -13.019 -4.378 1.00 0.00 O ATOM 2996 NE2 GLN C 7 3.783 -13.909 -2.909 1.00 0.00 N ATOM 0 H GLN C 7 0.880 -9.671 -3.892 1.00 0.00 H new ATOM 0 HA GLN C 7 3.399 -8.355 -3.542 1.00 0.00 H new ATOM 0 HB2 GLN C 7 4.775 -10.356 -4.123 1.00 0.00 H new ATOM 0 HB3 GLN C 7 4.058 -10.459 -2.527 1.00 0.00 H new ATOM 0 HG2 GLN C 7 2.317 -11.968 -3.350 1.00 0.00 H new ATOM 0 HG3 GLN C 7 2.881 -11.780 -4.999 1.00 0.00 H new ATOM 0 HE21 GLN C 7 2.890 -13.826 -2.423 1.00 0.00 H new ATOM 0 HE22 GLN C 7 4.385 -14.714 -2.737 1.00 0.00 H new ATOM 3005 N VAL C 8 2.226 -8.011 -5.875 1.00 0.00 N ATOM 3006 CA VAL C 8 2.034 -7.778 -7.299 1.00 0.00 C ATOM 3007 C VAL C 8 3.378 -7.573 -7.992 1.00 0.00 C ATOM 3008 O VAL C 8 4.225 -6.821 -7.507 1.00 0.00 O ATOM 3009 CB VAL C 8 1.130 -6.554 -7.557 1.00 0.00 C ATOM 3010 CG1 VAL C 8 0.907 -6.354 -9.049 1.00 0.00 C ATOM 3011 CG2 VAL C 8 -0.197 -6.710 -6.828 1.00 0.00 C ATOM 0 H VAL C 8 1.908 -7.251 -5.273 1.00 0.00 H new ATOM 0 HA VAL C 8 1.543 -8.660 -7.709 1.00 0.00 H new ATOM 0 HB VAL C 8 1.632 -5.668 -7.169 1.00 0.00 H new ATOM 0 HG11 VAL C 8 0.267 -5.486 -9.208 1.00 0.00 H new ATOM 0 HG12 VAL C 8 1.866 -6.193 -9.542 1.00 0.00 H new ATOM 0 HG13 VAL C 8 0.428 -7.239 -9.467 1.00 0.00 H new ATOM 0 HG21 VAL C 8 -0.823 -5.838 -7.020 1.00 0.00 H new ATOM 0 HG22 VAL C 8 -0.704 -7.607 -7.184 1.00 0.00 H new ATOM 0 HG23 VAL C 8 -0.016 -6.797 -5.757 1.00 0.00 H new ATOM 3222 N ASP D 3 -3.137 11.725 6.339 1.00 0.00 N ATOM 3223 CA ASP D 3 -3.210 10.761 5.252 1.00 0.00 C ATOM 3224 C ASP D 3 -1.905 10.709 4.463 1.00 0.00 C ATOM 3225 O ASP D 3 -1.496 11.697 3.856 1.00 0.00 O ATOM 3226 CB ASP D 3 -4.367 11.109 4.316 1.00 0.00 C ATOM 3227 CG ASP D 3 -4.233 12.496 3.721 1.00 0.00 C ATOM 3228 OD1 ASP D 3 -4.197 13.474 4.496 1.00 0.00 O ATOM 3229 OD2 ASP D 3 -4.165 12.604 2.479 1.00 0.00 O ATOM 0 HA ASP D 3 -3.380 9.778 5.691 1.00 0.00 H new ATOM 0 HB2 ASP D 3 -4.413 10.375 3.512 1.00 0.00 H new ATOM 0 HB3 ASP D 3 -5.307 11.041 4.864 1.00 0.00 H new ATOM 3234 N THR D 4 -1.260 9.542 4.461 1.00 0.00 N ATOM 3235 CA THR D 4 -0.017 9.361 3.730 1.00 0.00 C ATOM 3236 C THR D 4 -0.307 9.213 2.240 1.00 0.00 C ATOM 3237 O THR D 4 -1.277 8.560 1.852 1.00 0.00 O ATOM 3238 CB THR D 4 0.728 8.130 4.246 1.00 0.00 C ATOM 3239 OG1 THR D 4 2.019 8.045 3.669 1.00 0.00 O ATOM 3240 CG2 THR D 4 0.014 6.831 3.953 1.00 0.00 C ATOM 0 H THR D 4 -1.582 8.712 4.959 1.00 0.00 H new ATOM 0 HA THR D 4 0.612 10.238 3.884 1.00 0.00 H new ATOM 0 HB THR D 4 0.784 8.262 5.327 1.00 0.00 H new ATOM 0 HG1 THR D 4 2.696 8.218 4.356 1.00 0.00 H new ATOM 0 HG21 THR D 4 0.597 5.998 4.346 1.00 0.00 H new ATOM 0 HG22 THR D 4 -0.968 6.841 4.425 1.00 0.00 H new ATOM 0 HG23 THR D 4 -0.103 6.715 2.876 1.00 0.00 H new ATOM 3248 N GLY D 5 0.530 9.821 1.409 1.00 0.00 N ATOM 3249 CA GLY D 5 0.328 9.738 -0.025 1.00 0.00 C ATOM 3250 C GLY D 5 1.623 9.543 -0.783 1.00 0.00 C ATOM 3251 O GLY D 5 2.624 10.202 -0.498 1.00 0.00 O ATOM 0 H GLY D 5 1.341 10.367 1.700 1.00 0.00 H new ATOM 0 HA2 GLY D 5 -0.347 8.911 -0.246 1.00 0.00 H new ATOM 0 HA3 GLY D 5 -0.159 10.649 -0.373 1.00 0.00 H new ATOM 3255 N ILE D 6 1.602 8.635 -1.752 1.00 0.00 N ATOM 3256 CA ILE D 6 2.787 8.354 -2.555 1.00 0.00 C ATOM 3257 C ILE D 6 2.408 7.766 -3.908 1.00 0.00 C ATOM 3258 O ILE D 6 1.252 7.417 -4.148 1.00 0.00 O ATOM 3259 CB ILE D 6 3.747 7.387 -1.840 1.00 0.00 C ATOM 3260 CG1 ILE D 6 3.067 6.040 -1.595 1.00 0.00 C ATOM 3261 CG2 ILE D 6 4.230 7.989 -0.528 1.00 0.00 C ATOM 3262 CD1 ILE D 6 4.000 4.992 -1.032 1.00 0.00 C ATOM 0 H ILE D 6 0.781 8.083 -2.000 1.00 0.00 H new ATOM 0 HA ILE D 6 3.294 9.307 -2.702 1.00 0.00 H new ATOM 0 HB ILE D 6 4.612 7.223 -2.482 1.00 0.00 H new ATOM 0 HG12 ILE D 6 2.234 6.182 -0.907 1.00 0.00 H new ATOM 0 HG13 ILE D 6 2.648 5.677 -2.533 1.00 0.00 H new ATOM 0 HG21 ILE D 6 4.908 7.292 -0.036 1.00 0.00 H new ATOM 0 HG22 ILE D 6 4.753 8.924 -0.728 1.00 0.00 H new ATOM 0 HG23 ILE D 6 3.375 8.183 0.120 1.00 0.00 H new ATOM 0 HD11 ILE D 6 3.453 4.061 -0.882 1.00 0.00 H new ATOM 0 HD12 ILE D 6 4.820 4.823 -1.729 1.00 0.00 H new ATOM 0 HD13 ILE D 6 4.400 5.336 -0.078 1.00 0.00 H new ATOM 3274 N GLN D 7 3.396 7.661 -4.788 1.00 0.00 N ATOM 3275 CA GLN D 7 3.180 7.123 -6.124 1.00 0.00 C ATOM 3276 C GLN D 7 4.495 6.639 -6.726 1.00 0.00 C ATOM 3277 O GLN D 7 5.070 7.292 -7.598 1.00 0.00 O ATOM 3278 CB GLN D 7 2.549 8.182 -7.031 1.00 0.00 C ATOM 3279 CG GLN D 7 2.294 7.696 -8.449 1.00 0.00 C ATOM 3280 CD GLN D 7 1.689 8.767 -9.332 1.00 0.00 C ATOM 3281 OE1 GLN D 7 0.502 8.497 -9.863 1.00 0.00 O flip ATOM 3282 NE2 GLN D 7 2.281 9.827 -9.537 1.00 0.00 N flip ATOM 0 H GLN D 7 4.358 7.943 -4.599 1.00 0.00 H new ATOM 0 HA GLN D 7 2.499 6.276 -6.044 1.00 0.00 H new ATOM 0 HB2 GLN D 7 1.606 8.508 -6.593 1.00 0.00 H new ATOM 0 HB3 GLN D 7 3.202 9.054 -7.067 1.00 0.00 H new ATOM 0 HG2 GLN D 7 3.233 7.357 -8.887 1.00 0.00 H new ATOM 0 HG3 GLN D 7 1.626 6.835 -8.419 1.00 0.00 H new ATOM 0 HE21 GLN D 7 3.192 9.994 -9.109 1.00 0.00 H new ATOM 0 HE22 GLN D 7 1.861 10.539 -10.135 1.00 0.00 H new ATOM 3291 N VAL D 8 4.967 5.495 -6.249 1.00 0.00 N ATOM 3292 CA VAL D 8 6.217 4.924 -6.734 1.00 0.00 C ATOM 3293 C VAL D 8 6.070 4.432 -8.170 1.00 0.00 C ATOM 3294 O VAL D 8 5.012 3.942 -8.563 1.00 0.00 O ATOM 3295 CB VAL D 8 6.685 3.756 -5.844 1.00 0.00 C ATOM 3296 CG1 VAL D 8 8.025 3.217 -6.321 1.00 0.00 C ATOM 3297 CG2 VAL D 8 6.766 4.196 -4.390 1.00 0.00 C ATOM 0 H VAL D 8 4.503 4.944 -5.527 1.00 0.00 H new ATOM 0 HA VAL D 8 6.965 5.716 -6.698 1.00 0.00 H new ATOM 0 HB VAL D 8 5.953 2.952 -5.919 1.00 0.00 H new ATOM 0 HG11 VAL D 8 8.336 2.393 -5.678 1.00 0.00 H new ATOM 0 HG12 VAL D 8 7.930 2.861 -7.347 1.00 0.00 H new ATOM 0 HG13 VAL D 8 8.771 4.010 -6.281 1.00 0.00 H new ATOM 0 HG21 VAL D 8 7.098 3.360 -3.775 1.00 0.00 H new ATOM 0 HG22 VAL D 8 7.475 5.018 -4.298 1.00 0.00 H new ATOM 0 HG23 VAL D 8 5.783 4.526 -4.054 1.00 0.00 H new ATOM 3307 N ASP D 9 7.138 4.576 -8.947 1.00 0.00 N ATOM 3308 CA ASP D 9 7.139 4.154 -10.343 1.00 0.00 C ATOM 3309 C ASP D 9 8.500 4.415 -10.980 1.00 0.00 C ATOM 3310 O ASP D 9 8.587 4.896 -12.111 1.00 0.00 O ATOM 3311 CB ASP D 9 6.044 4.887 -11.122 1.00 0.00 C ATOM 3312 CG ASP D 9 6.202 6.393 -11.065 1.00 0.00 C ATOM 3313 OD1 ASP D 9 7.252 6.898 -11.515 1.00 0.00 O ATOM 3314 OD2 ASP D 9 5.275 7.069 -10.569 1.00 0.00 O ATOM 0 H ASP D 9 8.018 4.984 -8.632 1.00 0.00 H new ATOM 0 HA ASP D 9 6.938 3.083 -10.378 1.00 0.00 H new ATOM 0 HB2 ASP D 9 6.063 4.562 -12.162 1.00 0.00 H new ATOM 0 HB3 ASP D 9 5.069 4.611 -10.719 1.00 0.00 H new