USER MOD reduce.3.24.130724 H: found=0, std=0, add=882, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 885 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 72 HIS : no HE2:sc= 0.622 K(o=-0.55,f=-5.7!) USER MOD Set 1.2: B 116 ASN : amide:sc= -1.17 K(o=-0.55,f=1.3) USER MOD Set 2.1: B 54 TYR OH : rot 30:sc= 0.178 USER MOD Set 2.2: B 61 GLN : amide:sc= -0.374 K(o=0.87,f=-8.2!) USER MOD Set 2.3: B 65 LYS NZ :NH3+ -145:sc= 1.07 (180deg=0) USER MOD Set 3.1: B 57 SER OG : rot -170:sc= -0.0338 USER MOD Set 3.2: B 129 LYS NZ :NH3+ 168:sc= -0.0219 (180deg=-0.168) USER MOD Single : A 9 ASN : amide:sc= -0.404 X(o=-0.4,f=-0.21) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -2.39! K(o=-2.4!,f=-0.0022) USER MOD Single : A 27 TYR OH : rot -15:sc= -0.219 USER MOD Single : A 30 SER OG : rot 76:sc= 1.26 USER MOD Single : A 31 GLN : amide:sc= -0.394 X(o=-0.39,f=-0.13) USER MOD Single : A 32 GLN : amide:sc= -0.861 K(o=-0.86,f=-0.044) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 43 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00367) USER MOD Single : B 44 THR OG1 : rot 180:sc= 0.00353 USER MOD Single : B 46 LYS NZ :NH3+ 159:sc= 0.405 (180deg=-0.461!) USER MOD Single : B 47 THR OG1 : rot 49:sc= 0.794 USER MOD Single : B 48 LYS NZ :NH3+ 170:sc= -0.0111 (180deg=-0.122) USER MOD Single : B 55 GLN : amide:sc= -0.982 X(o=-0.98,f=-1.3) USER MOD Single : B 56 ASN : amide:sc= 1.24 K(o=1.2,f=-0.15) USER MOD Single : B 66 TYR OH : rot 180:sc= 0 USER MOD Single : B 67 ASN : amide:sc= 1.14 K(o=1.1,f=-1.5) USER MOD Single : B 68 THR OG1 : rot 180:sc= 0 USER MOD Single : B 70 LYS NZ :NH3+ 169:sc= 1.15 (180deg=1.08) USER MOD Single : B 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 77 TYR OH : rot 180:sc= 0 USER MOD Single : B 81 SER OG : rot 77:sc= 0.452 USER MOD Single : B 97 GLN : amide:sc= -4.25! K(o=-4.2!,f=-0.42) USER MOD Single : B 98 LYS NZ :NH3+ 170:sc= 1.04 (180deg=0.762) USER MOD Single : B 103 ASN : amide:sc= 1.1 K(o=1.1,f=-0.15) USER MOD Single : B 104 TYR OH : rot 180:sc= 0 USER MOD Single : B 106 ASN : amide:sc= -0.0706 X(o=-0.071,f=0) USER MOD Single : B 107 THR OG1 : rot -5:sc= 1.25 USER MOD Single : B 110 TYR OH : rot 180:sc= 0 USER MOD Single : B 114 HIS : no HD1:sc=-0.00718 X(o=-0.0072,f=-0.0072) USER MOD Single : B 115 TYR OH : rot 180:sc= 0 USER MOD Single : B 123 CYS SG : rot -67:sc= 0.988 USER MOD Single : B 124 GLN : amide:sc= -0.432 K(o=-0.43,f=-1.2) USER MOD Single : B 131 ASN : amide:sc= 1.14 K(o=1.1,f=-0.034) USER MOD ----------------------------------------------------------------- ATOM 103 N GLU A 8 10.461 0.079 -7.308 1.00 0.00 N ATOM 104 CA GLU A 8 9.567 1.166 -6.963 1.00 0.00 C ATOM 105 C GLU A 8 8.439 0.620 -6.098 1.00 0.00 C ATOM 106 O GLU A 8 7.989 1.264 -5.151 1.00 0.00 O ATOM 107 CB GLU A 8 8.997 1.805 -8.230 1.00 0.00 C ATOM 108 CG GLU A 8 8.300 0.809 -9.144 1.00 0.00 C ATOM 109 CD GLU A 8 7.637 1.465 -10.339 1.00 0.00 C ATOM 110 OE1 GLU A 8 8.312 1.651 -11.372 1.00 0.00 O1- ATOM 111 OE2 GLU A 8 6.436 1.791 -10.255 1.00 0.00 O ATOM 0 HA GLU A 8 10.116 1.930 -6.412 1.00 0.00 H new ATOM 0 HB2 GLU A 8 8.290 2.586 -7.949 1.00 0.00 H new ATOM 0 HB3 GLU A 8 9.804 2.289 -8.780 1.00 0.00 H new ATOM 0 HG2 GLU A 8 9.027 0.077 -9.495 1.00 0.00 H new ATOM 0 HG3 GLU A 8 7.549 0.264 -8.573 1.00 0.00 H new ATOM 118 N ASN A 9 8.019 -0.600 -6.423 1.00 0.00 N ATOM 119 CA ASN A 9 6.969 -1.278 -5.687 1.00 0.00 C ATOM 120 C ASN A 9 7.488 -1.725 -4.335 1.00 0.00 C ATOM 121 O ASN A 9 6.752 -1.735 -3.361 1.00 0.00 O ATOM 122 CB ASN A 9 6.445 -2.489 -6.465 1.00 0.00 C ATOM 123 CG ASN A 9 5.791 -2.111 -7.778 1.00 0.00 C ATOM 124 OD1 ASN A 9 4.594 -1.838 -7.833 1.00 0.00 O ATOM 125 ND2 ASN A 9 6.570 -2.105 -8.851 1.00 0.00 N ATOM 0 H ASN A 9 8.398 -1.140 -7.201 1.00 0.00 H new ATOM 0 HA ASN A 9 6.147 -0.576 -5.547 1.00 0.00 H new ATOM 0 HB2 ASN A 9 7.271 -3.173 -6.660 1.00 0.00 H new ATOM 0 HB3 ASN A 9 5.725 -3.026 -5.848 1.00 0.00 H new ATOM 0 HD21 ASN A 9 6.180 -1.868 -9.763 1.00 0.00 H new ATOM 0 HD22 ASN A 9 7.559 -2.337 -8.764 1.00 0.00 H new ATOM 132 N SER A 10 8.769 -2.075 -4.282 1.00 0.00 N ATOM 133 CA SER A 10 9.396 -2.488 -3.035 1.00 0.00 C ATOM 134 C SER A 10 9.283 -1.367 -2.005 1.00 0.00 C ATOM 135 O SER A 10 9.001 -1.611 -0.830 1.00 0.00 O ATOM 136 CB SER A 10 10.865 -2.857 -3.276 1.00 0.00 C ATOM 137 OG SER A 10 11.451 -3.441 -2.126 1.00 0.00 O ATOM 0 H SER A 10 9.392 -2.080 -5.089 1.00 0.00 H new ATOM 0 HA SER A 10 8.882 -3.369 -2.651 1.00 0.00 H new ATOM 0 HB2 SER A 10 10.934 -3.552 -4.113 1.00 0.00 H new ATOM 0 HB3 SER A 10 11.424 -1.964 -3.556 1.00 0.00 H new ATOM 0 HG SER A 10 12.386 -3.666 -2.314 1.00 0.00 H new ATOM 143 N GLN A 11 9.479 -0.134 -2.467 1.00 0.00 N ATOM 144 CA GLN A 11 9.308 1.042 -1.622 1.00 0.00 C ATOM 145 C GLN A 11 7.857 1.152 -1.164 1.00 0.00 C ATOM 146 O GLN A 11 7.582 1.447 -0.003 1.00 0.00 O ATOM 147 CB GLN A 11 9.695 2.311 -2.384 1.00 0.00 C ATOM 148 CG GLN A 11 11.136 2.338 -2.878 1.00 0.00 C ATOM 149 CD GLN A 11 12.156 2.409 -1.755 1.00 0.00 C ATOM 150 OE1 GLN A 11 13.275 1.923 -1.889 1.00 0.00 O ATOM 151 NE2 GLN A 11 11.789 3.031 -0.645 1.00 0.00 N ATOM 0 H GLN A 11 9.757 0.075 -3.426 1.00 0.00 H new ATOM 0 HA GLN A 11 9.957 0.936 -0.753 1.00 0.00 H new ATOM 0 HB2 GLN A 11 9.029 2.423 -3.240 1.00 0.00 H new ATOM 0 HB3 GLN A 11 9.530 3.172 -1.737 1.00 0.00 H new ATOM 0 HG2 GLN A 11 11.325 1.446 -3.475 1.00 0.00 H new ATOM 0 HG3 GLN A 11 11.271 3.196 -3.536 1.00 0.00 H new ATOM 0 HE21 GLN A 11 10.851 3.424 -0.567 1.00 0.00 H new ATOM 0 HE22 GLN A 11 12.444 3.117 0.132 1.00 0.00 H new ATOM 160 N LEU A 12 6.938 0.913 -2.099 1.00 0.00 N ATOM 161 CA LEU A 12 5.506 0.943 -1.815 1.00 0.00 C ATOM 162 C LEU A 12 5.147 -0.069 -0.730 1.00 0.00 C ATOM 163 O LEU A 12 4.501 0.265 0.259 1.00 0.00 O ATOM 164 CB LEU A 12 4.697 0.609 -3.072 1.00 0.00 C ATOM 165 CG LEU A 12 5.008 1.442 -4.316 1.00 0.00 C ATOM 166 CD1 LEU A 12 4.143 0.989 -5.472 1.00 0.00 C ATOM 167 CD2 LEU A 12 4.799 2.921 -4.053 1.00 0.00 C ATOM 0 H LEU A 12 7.165 0.694 -3.069 1.00 0.00 H new ATOM 0 HA LEU A 12 5.263 1.950 -1.475 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.858 -0.442 -3.314 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.638 0.724 -2.839 1.00 0.00 H new ATOM 0 HG LEU A 12 6.057 1.291 -4.572 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.371 1.588 -6.354 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.342 -0.061 -5.685 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.092 1.114 -5.211 1.00 0.00 H new ATOM 0 HD21 LEU A 12 5.028 3.487 -4.956 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.762 3.097 -3.768 1.00 0.00 H new ATOM 0 HD23 LEU A 12 5.457 3.244 -3.246 1.00 0.00 H new ATOM 179 N LEU A 13 5.596 -1.302 -0.936 1.00 0.00 N ATOM 180 CA LEU A 13 5.214 -2.434 -0.096 1.00 0.00 C ATOM 181 C LEU A 13 5.528 -2.196 1.371 1.00 0.00 C ATOM 182 O LEU A 13 4.649 -2.312 2.223 1.00 0.00 O ATOM 183 CB LEU A 13 5.926 -3.701 -0.569 1.00 0.00 C ATOM 184 CG LEU A 13 5.730 -4.038 -2.045 1.00 0.00 C ATOM 185 CD1 LEU A 13 6.429 -5.338 -2.394 1.00 0.00 C ATOM 186 CD2 LEU A 13 4.255 -4.107 -2.391 1.00 0.00 C ATOM 0 H LEU A 13 6.236 -1.547 -1.691 1.00 0.00 H new ATOM 0 HA LEU A 13 4.135 -2.553 -0.190 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.993 -3.594 -0.375 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.576 -4.542 0.030 1.00 0.00 H new ATOM 0 HG LEU A 13 6.178 -3.241 -2.639 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.277 -5.561 -3.450 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.496 -5.243 -2.193 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.017 -6.146 -1.790 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.140 -4.348 -3.448 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.776 -4.878 -1.788 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.788 -3.144 -2.186 1.00 0.00 H new ATOM 198 N ASP A 14 6.776 -1.866 1.671 1.00 0.00 N ATOM 199 CA ASP A 14 7.187 -1.682 3.057 1.00 0.00 C ATOM 200 C ASP A 14 6.586 -0.413 3.648 1.00 0.00 C ATOM 201 O ASP A 14 6.408 -0.311 4.861 1.00 0.00 O ATOM 202 CB ASP A 14 8.712 -1.678 3.188 1.00 0.00 C ATOM 203 CG ASP A 14 9.281 -3.085 3.237 1.00 0.00 C ATOM 204 OD1 ASP A 14 9.099 -3.770 4.272 1.00 0.00 O ATOM 205 OD2 ASP A 14 9.917 -3.515 2.254 1.00 0.00 O1- ATOM 0 H ASP A 14 7.515 -1.721 0.983 1.00 0.00 H new ATOM 0 HA ASP A 14 6.805 -2.529 3.627 1.00 0.00 H new ATOM 0 HB2 ASP A 14 9.147 -1.140 2.346 1.00 0.00 H new ATOM 0 HB3 ASP A 14 8.997 -1.140 4.092 1.00 0.00 H new ATOM 210 N PHE A 15 6.252 0.537 2.784 1.00 0.00 N ATOM 211 CA PHE A 15 5.571 1.759 3.199 1.00 0.00 C ATOM 212 C PHE A 15 4.156 1.426 3.672 1.00 0.00 C ATOM 213 O PHE A 15 3.749 1.794 4.775 1.00 0.00 O ATOM 214 CB PHE A 15 5.528 2.743 2.026 1.00 0.00 C ATOM 215 CG PHE A 15 4.953 4.090 2.354 1.00 0.00 C ATOM 216 CD1 PHE A 15 5.770 5.110 2.812 1.00 0.00 C ATOM 217 CD2 PHE A 15 3.601 4.344 2.182 1.00 0.00 C ATOM 218 CE1 PHE A 15 5.251 6.358 3.093 1.00 0.00 C ATOM 219 CE2 PHE A 15 3.076 5.589 2.467 1.00 0.00 C ATOM 220 CZ PHE A 15 3.902 6.598 2.921 1.00 0.00 C ATOM 0 H PHE A 15 6.443 0.485 1.783 1.00 0.00 H new ATOM 0 HA PHE A 15 6.114 2.219 4.025 1.00 0.00 H new ATOM 0 HB2 PHE A 15 6.541 2.879 1.647 1.00 0.00 H new ATOM 0 HB3 PHE A 15 4.943 2.300 1.220 1.00 0.00 H new ATOM 0 HD1 PHE A 15 6.825 4.927 2.951 1.00 0.00 H new ATOM 0 HD2 PHE A 15 2.952 3.560 1.821 1.00 0.00 H new ATOM 0 HE1 PHE A 15 5.899 7.146 3.447 1.00 0.00 H new ATOM 0 HE2 PHE A 15 2.020 5.773 2.335 1.00 0.00 H new ATOM 0 HZ PHE A 15 3.494 7.573 3.141 1.00 0.00 H new ATOM 230 N ILE A 16 3.428 0.709 2.826 1.00 0.00 N ATOM 231 CA ILE A 16 2.081 0.242 3.144 1.00 0.00 C ATOM 232 C ILE A 16 2.116 -0.687 4.356 1.00 0.00 C ATOM 233 O ILE A 16 1.210 -0.693 5.194 1.00 0.00 O ATOM 234 CB ILE A 16 1.476 -0.523 1.944 1.00 0.00 C ATOM 235 CG1 ILE A 16 1.470 0.358 0.694 1.00 0.00 C ATOM 236 CG2 ILE A 16 0.068 -0.998 2.263 1.00 0.00 C ATOM 237 CD1 ILE A 16 1.204 -0.410 -0.584 1.00 0.00 C ATOM 0 H ILE A 16 3.753 0.434 1.899 1.00 0.00 H new ATOM 0 HA ILE A 16 1.465 1.113 3.367 1.00 0.00 H new ATOM 0 HB ILE A 16 2.097 -1.397 1.750 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.711 1.132 0.808 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.432 0.864 0.611 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.338 -1.534 1.405 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.095 -1.663 3.126 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.564 -0.139 2.487 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.214 0.277 -1.430 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.977 -1.166 -0.722 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.229 -0.894 -0.521 1.00 0.00 H new ATOM 249 N ARG A 17 3.184 -1.462 4.436 1.00 0.00 N ATOM 250 CA ARG A 17 3.381 -2.411 5.514 1.00 0.00 C ATOM 251 C ARG A 17 3.506 -1.701 6.860 1.00 0.00 C ATOM 252 O ARG A 17 2.860 -2.086 7.833 1.00 0.00 O ATOM 253 CB ARG A 17 4.621 -3.253 5.222 1.00 0.00 C ATOM 254 CG ARG A 17 4.933 -4.295 6.275 1.00 0.00 C ATOM 255 CD ARG A 17 6.112 -5.150 5.851 1.00 0.00 C ATOM 256 NE ARG A 17 6.618 -5.966 6.948 1.00 0.00 N ATOM 257 CZ ARG A 17 7.903 -6.270 7.119 1.00 0.00 C ATOM 258 NH1 ARG A 17 8.828 -5.809 6.279 1.00 0.00 N1+ ATOM 259 NH2 ARG A 17 8.271 -7.024 8.146 1.00 0.00 N ATOM 0 H ARG A 17 3.940 -1.449 3.752 1.00 0.00 H new ATOM 0 HA ARG A 17 2.510 -3.064 5.575 1.00 0.00 H new ATOM 0 HB2 ARG A 17 4.488 -3.753 4.262 1.00 0.00 H new ATOM 0 HB3 ARG A 17 5.480 -2.589 5.120 1.00 0.00 H new ATOM 0 HG2 ARG A 17 5.155 -3.806 7.223 1.00 0.00 H new ATOM 0 HG3 ARG A 17 4.060 -4.926 6.439 1.00 0.00 H new ATOM 0 HD2 ARG A 17 5.813 -5.797 5.026 1.00 0.00 H new ATOM 0 HD3 ARG A 17 6.910 -4.508 5.479 1.00 0.00 H new ATOM 0 HE ARG A 17 5.946 -6.326 7.626 1.00 0.00 H new ATOM 0 HH11 ARG A 17 8.555 -5.217 5.495 1.00 0.00 H new ATOM 0 HH12 ARG A 17 9.809 -6.048 6.420 1.00 0.00 H new ATOM 0 HH21 ARG A 17 7.570 -7.369 8.802 1.00 0.00 H new ATOM 0 HH22 ARG A 17 9.255 -7.259 8.280 1.00 0.00 H new ATOM 273 N GLU A 18 4.321 -0.652 6.914 1.00 0.00 N ATOM 274 CA GLU A 18 4.481 0.107 8.150 1.00 0.00 C ATOM 275 C GLU A 18 3.219 0.900 8.445 1.00 0.00 C ATOM 276 O GLU A 18 2.866 1.113 9.605 1.00 0.00 O ATOM 277 CB GLU A 18 5.691 1.040 8.081 1.00 0.00 C ATOM 278 CG GLU A 18 7.001 0.305 7.872 1.00 0.00 C ATOM 279 CD GLU A 18 8.211 1.108 8.302 1.00 0.00 C ATOM 280 OE1 GLU A 18 8.131 2.351 8.344 1.00 0.00 O1- ATOM 281 OE2 GLU A 18 9.250 0.489 8.625 1.00 0.00 O ATOM 0 H GLU A 18 4.874 -0.311 6.128 1.00 0.00 H new ATOM 0 HA GLU A 18 4.654 -0.602 8.959 1.00 0.00 H new ATOM 0 HB2 GLU A 18 5.547 1.751 7.268 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.749 1.618 9.003 1.00 0.00 H new ATOM 0 HG2 GLU A 18 6.978 -0.631 8.429 1.00 0.00 H new ATOM 0 HG3 GLU A 18 7.101 0.046 6.818 1.00 0.00 H new ATOM 288 N LEU A 19 2.540 1.322 7.384 1.00 0.00 N ATOM 289 CA LEU A 19 1.284 2.021 7.488 1.00 0.00 C ATOM 290 C LEU A 19 0.283 1.216 8.312 1.00 0.00 C ATOM 291 O LEU A 19 -0.272 1.704 9.297 1.00 0.00 O ATOM 292 CB LEU A 19 0.753 2.224 6.076 1.00 0.00 C ATOM 293 CG LEU A 19 0.068 3.546 5.796 1.00 0.00 C ATOM 294 CD1 LEU A 19 1.039 4.699 5.982 1.00 0.00 C ATOM 295 CD2 LEU A 19 -0.478 3.534 4.385 1.00 0.00 C ATOM 0 H LEU A 19 2.856 1.183 6.424 1.00 0.00 H new ATOM 0 HA LEU A 19 1.429 2.978 7.989 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.585 2.116 5.380 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.048 1.421 5.858 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.754 3.683 6.499 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.530 5.640 5.777 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.408 4.702 7.008 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.877 4.583 5.295 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.972 4.483 4.178 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.340 3.389 3.679 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.196 2.721 4.280 1.00 0.00 H new ATOM 307 N GLY A 20 0.064 -0.025 7.906 1.00 0.00 N ATOM 308 CA GLY A 20 -0.855 -0.888 8.618 1.00 0.00 C ATOM 309 C GLY A 20 -0.325 -1.322 9.968 1.00 0.00 C ATOM 310 O GLY A 20 -1.099 -1.648 10.866 1.00 0.00 O ATOM 0 H GLY A 20 0.508 -0.451 7.093 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.803 -0.368 8.755 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -1.061 -1.771 8.012 1.00 0.00 H new ATOM 314 N ASP A 21 0.991 -1.311 10.120 1.00 0.00 N ATOM 315 CA ASP A 21 1.619 -1.752 11.360 1.00 0.00 C ATOM 316 C ASP A 21 1.322 -0.780 12.500 1.00 0.00 C ATOM 317 O ASP A 21 1.140 -1.192 13.648 1.00 0.00 O ATOM 318 CB ASP A 21 3.127 -1.897 11.166 1.00 0.00 C ATOM 319 CG ASP A 21 3.796 -2.622 12.315 1.00 0.00 C ATOM 320 OD1 ASP A 21 3.558 -3.837 12.475 1.00 0.00 O ATOM 321 OD2 ASP A 21 4.594 -1.993 13.037 1.00 0.00 O1- ATOM 0 H ASP A 21 1.646 -1.002 9.402 1.00 0.00 H new ATOM 0 HA ASP A 21 1.202 -2.723 11.626 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.320 -2.437 10.239 1.00 0.00 H new ATOM 0 HB3 ASP A 21 3.572 -0.908 11.057 1.00 0.00 H new ATOM 326 N VAL A 22 1.245 0.509 12.179 1.00 0.00 N ATOM 327 CA VAL A 22 0.934 1.528 13.176 1.00 0.00 C ATOM 328 C VAL A 22 -0.556 1.827 13.184 1.00 0.00 C ATOM 329 O VAL A 22 -1.067 2.486 14.087 1.00 0.00 O ATOM 330 CB VAL A 22 1.712 2.842 12.946 1.00 0.00 C ATOM 331 CG1 VAL A 22 3.180 2.668 13.291 1.00 0.00 C ATOM 332 CG2 VAL A 22 1.557 3.316 11.512 1.00 0.00 C ATOM 0 H VAL A 22 1.394 0.872 11.237 1.00 0.00 H new ATOM 0 HA VAL A 22 1.241 1.121 14.139 1.00 0.00 H new ATOM 0 HB VAL A 22 1.292 3.601 13.606 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.707 3.607 13.121 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.276 2.382 14.338 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.612 1.890 12.662 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.113 4.243 11.373 1.00 0.00 H new ATOM 0 HG22 VAL A 22 1.944 2.556 10.834 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.502 3.490 11.298 1.00 0.00 H new ATOM 342 N GLY A 23 -1.248 1.342 12.164 1.00 0.00 N ATOM 343 CA GLY A 23 -2.684 1.491 12.115 1.00 0.00 C ATOM 344 C GLY A 23 -3.134 2.681 11.291 1.00 0.00 C ATOM 345 O GLY A 23 -4.249 3.170 11.451 1.00 0.00 O ATOM 0 H GLY A 23 -0.839 0.848 11.370 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.123 0.584 11.700 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.067 1.595 13.130 1.00 0.00 H new ATOM 349 N LEU A 24 -2.279 3.139 10.394 1.00 0.00 N ATOM 350 CA LEU A 24 -2.629 4.234 9.497 1.00 0.00 C ATOM 351 C LEU A 24 -3.406 3.698 8.307 1.00 0.00 C ATOM 352 O LEU A 24 -4.000 4.448 7.529 1.00 0.00 O ATOM 353 CB LEU A 24 -1.364 4.945 9.015 1.00 0.00 C ATOM 354 CG LEU A 24 -0.628 5.744 10.084 1.00 0.00 C ATOM 355 CD1 LEU A 24 0.721 6.214 9.568 1.00 0.00 C ATOM 356 CD2 LEU A 24 -1.468 6.929 10.521 1.00 0.00 C ATOM 0 H LEU A 24 -1.336 2.772 10.265 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.250 4.948 10.037 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.681 4.201 8.604 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.631 5.617 8.200 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.458 5.097 10.944 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.230 6.782 10.346 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.327 5.350 9.294 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.575 6.847 8.693 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.932 7.493 11.285 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.662 7.573 9.664 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.414 6.574 10.929 1.00 0.00 H new ATOM 368 N LEU A 25 -3.406 2.384 8.180 1.00 0.00 N ATOM 369 CA LEU A 25 -4.042 1.730 7.058 1.00 0.00 C ATOM 370 C LEU A 25 -5.361 1.088 7.476 1.00 0.00 C ATOM 371 O LEU A 25 -6.208 0.802 6.634 1.00 0.00 O ATOM 372 CB LEU A 25 -3.093 0.683 6.476 1.00 0.00 C ATOM 373 CG LEU A 25 -3.584 -0.029 5.222 1.00 0.00 C ATOM 374 CD1 LEU A 25 -3.869 0.971 4.113 1.00 0.00 C ATOM 375 CD2 LEU A 25 -2.558 -1.053 4.769 1.00 0.00 C ATOM 0 H LEU A 25 -2.969 1.747 8.846 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.266 2.476 6.295 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.143 1.167 6.248 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.894 -0.066 7.242 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.514 -0.547 5.457 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.218 0.442 3.227 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.636 1.672 4.443 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.957 1.518 3.873 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.918 -1.557 3.872 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.615 -0.551 4.550 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.403 -1.787 5.560 1.00 0.00 H new ATOM 387 N GLU A 26 -5.539 0.889 8.778 1.00 0.00 N ATOM 388 CA GLU A 26 -6.734 0.225 9.282 1.00 0.00 C ATOM 389 C GLU A 26 -7.962 1.099 9.041 1.00 0.00 C ATOM 390 O GLU A 26 -7.931 2.314 9.256 1.00 0.00 O ATOM 391 CB GLU A 26 -6.586 -0.129 10.768 1.00 0.00 C ATOM 392 CG GLU A 26 -6.535 1.069 11.703 1.00 0.00 C ATOM 393 CD GLU A 26 -6.420 0.668 13.163 1.00 0.00 C ATOM 394 OE1 GLU A 26 -7.466 0.433 13.807 1.00 0.00 O1- ATOM 395 OE2 GLU A 26 -5.284 0.590 13.676 1.00 0.00 O ATOM 0 H GLU A 26 -4.876 1.176 9.498 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.865 -0.710 8.738 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -7.420 -0.766 11.061 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.676 -0.715 10.899 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.686 1.698 11.435 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.433 1.671 11.565 1.00 0.00 H new ATOM 402 N TYR A 27 -9.033 0.479 8.585 1.00 0.00 N ATOM 403 CA TYR A 27 -10.225 1.200 8.166 1.00 0.00 C ATOM 404 C TYR A 27 -11.484 0.480 8.635 1.00 0.00 C ATOM 405 O TYR A 27 -11.409 -0.598 9.224 1.00 0.00 O ATOM 406 CB TYR A 27 -10.227 1.338 6.643 1.00 0.00 C ATOM 407 CG TYR A 27 -10.060 0.015 5.930 1.00 0.00 C ATOM 408 CD1 TYR A 27 -11.144 -0.820 5.712 1.00 0.00 C ATOM 409 CD2 TYR A 27 -8.813 -0.404 5.494 1.00 0.00 C ATOM 410 CE1 TYR A 27 -10.992 -2.035 5.078 1.00 0.00 C ATOM 411 CE2 TYR A 27 -8.650 -1.620 4.863 1.00 0.00 C ATOM 412 CZ TYR A 27 -9.742 -2.431 4.656 1.00 0.00 C ATOM 413 OH TYR A 27 -9.580 -3.646 4.031 1.00 0.00 O ATOM 0 H TYR A 27 -9.104 -0.534 8.494 1.00 0.00 H new ATOM 0 HA TYR A 27 -10.216 2.192 8.618 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -11.162 1.799 6.327 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -9.423 2.010 6.343 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -12.125 -0.514 6.044 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -7.954 0.232 5.651 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -11.848 -2.672 4.913 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -7.671 -1.934 4.533 1.00 0.00 H new ATOM 0 HH TYR A 27 -10.377 -4.198 4.177 1.00 0.00 H new ATOM 423 N GLU A 28 -12.635 1.077 8.359 1.00 0.00 N ATOM 424 CA GLU A 28 -13.915 0.532 8.774 1.00 0.00 C ATOM 425 C GLU A 28 -14.946 0.783 7.686 1.00 0.00 C ATOM 426 O GLU A 28 -15.401 1.910 7.491 1.00 0.00 O ATOM 427 CB GLU A 28 -14.368 1.168 10.090 1.00 0.00 C ATOM 428 CG GLU A 28 -13.385 0.959 11.229 1.00 0.00 C ATOM 429 CD GLU A 28 -13.835 1.594 12.525 1.00 0.00 C ATOM 430 OE1 GLU A 28 -14.023 2.829 12.556 1.00 0.00 O ATOM 431 OE2 GLU A 28 -13.981 0.864 13.527 1.00 0.00 O1- ATOM 0 H GLU A 28 -12.705 1.953 7.841 1.00 0.00 H new ATOM 0 HA GLU A 28 -13.811 -0.541 8.933 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -14.514 2.237 9.937 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -15.335 0.751 10.373 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -13.242 -0.110 11.386 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -12.417 1.372 10.946 1.00 0.00 H new ATOM 438 N LEU A 29 -15.304 -0.272 6.980 1.00 0.00 N ATOM 439 CA LEU A 29 -16.162 -0.160 5.810 1.00 0.00 C ATOM 440 C LEU A 29 -17.635 -0.233 6.183 1.00 0.00 C ATOM 441 O LEU A 29 -18.030 -1.005 7.057 1.00 0.00 O ATOM 442 CB LEU A 29 -15.834 -1.276 4.824 1.00 0.00 C ATOM 443 CG LEU A 29 -14.398 -1.285 4.310 1.00 0.00 C ATOM 444 CD1 LEU A 29 -14.124 -2.556 3.530 1.00 0.00 C ATOM 445 CD2 LEU A 29 -14.131 -0.064 3.448 1.00 0.00 C ATOM 0 H LEU A 29 -15.013 -1.225 7.197 1.00 0.00 H new ATOM 0 HA LEU A 29 -15.976 0.812 5.353 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -16.038 -2.234 5.303 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -16.508 -1.196 3.971 1.00 0.00 H new ATOM 0 HG LEU A 29 -13.725 -1.253 5.167 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -13.095 -2.547 3.170 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -14.275 -3.420 4.177 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -14.805 -2.616 2.681 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -13.101 -0.089 3.091 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -14.811 -0.065 2.596 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -14.289 0.839 4.037 1.00 0.00 H new ATOM 457 N SER A 30 -18.434 0.582 5.518 1.00 0.00 N ATOM 458 CA SER A 30 -19.877 0.526 5.658 1.00 0.00 C ATOM 459 C SER A 30 -20.446 -0.493 4.670 1.00 0.00 C ATOM 460 O SER A 30 -19.727 -0.942 3.779 1.00 0.00 O ATOM 461 CB SER A 30 -20.467 1.914 5.408 1.00 0.00 C ATOM 462 OG SER A 30 -19.697 2.912 6.064 1.00 0.00 O ATOM 0 H SER A 30 -18.103 1.297 4.870 1.00 0.00 H new ATOM 0 HA SER A 30 -20.141 0.214 6.668 1.00 0.00 H new ATOM 0 HB2 SER A 30 -20.496 2.115 4.337 1.00 0.00 H new ATOM 0 HB3 SER A 30 -21.496 1.947 5.766 1.00 0.00 H new ATOM 0 HG SER A 30 -18.871 3.072 5.561 1.00 0.00 H new ATOM 468 N GLN A 31 -21.713 -0.860 4.827 1.00 0.00 N ATOM 469 CA GLN A 31 -22.344 -1.850 3.952 1.00 0.00 C ATOM 470 C GLN A 31 -22.132 -1.513 2.479 1.00 0.00 C ATOM 471 O GLN A 31 -21.770 -2.376 1.681 1.00 0.00 O ATOM 472 CB GLN A 31 -23.839 -1.951 4.251 1.00 0.00 C ATOM 473 CG GLN A 31 -24.154 -2.645 5.565 1.00 0.00 C ATOM 474 CD GLN A 31 -23.749 -4.105 5.559 1.00 0.00 C ATOM 475 OE1 GLN A 31 -24.529 -4.973 5.169 1.00 0.00 O ATOM 476 NE2 GLN A 31 -22.534 -4.389 5.998 1.00 0.00 N ATOM 0 H GLN A 31 -22.327 -0.488 5.552 1.00 0.00 H new ATOM 0 HA GLN A 31 -21.871 -2.812 4.151 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -24.265 -0.948 4.269 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -24.327 -2.490 3.439 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -23.639 -2.131 6.377 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -25.222 -2.568 5.766 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -21.917 -3.640 6.313 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -22.214 -5.357 6.022 1.00 0.00 H new ATOM 485 N GLN A 32 -22.323 -0.248 2.135 1.00 0.00 N ATOM 486 CA GLN A 32 -22.182 0.192 0.750 1.00 0.00 C ATOM 487 C GLN A 32 -20.731 0.087 0.299 1.00 0.00 C ATOM 488 O GLN A 32 -20.444 -0.340 -0.820 1.00 0.00 O ATOM 489 CB GLN A 32 -22.683 1.629 0.596 1.00 0.00 C ATOM 490 CG GLN A 32 -22.547 2.187 -0.816 1.00 0.00 C ATOM 491 CD GLN A 32 -23.295 1.375 -1.861 1.00 0.00 C ATOM 492 OE1 GLN A 32 -22.880 1.305 -3.017 1.00 0.00 O ATOM 493 NE2 GLN A 32 -24.403 0.763 -1.472 1.00 0.00 N ATOM 0 H GLN A 32 -22.575 0.491 2.791 1.00 0.00 H new ATOM 0 HA GLN A 32 -22.787 -0.459 0.119 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -23.731 1.671 0.892 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -22.132 2.270 1.283 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -22.916 3.212 -0.831 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -21.491 2.225 -1.084 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -24.717 0.843 -0.505 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -24.942 0.211 -2.139 1.00 0.00 H new ATOM 502 N GLU A 33 -19.821 0.454 1.188 1.00 0.00 N ATOM 503 CA GLU A 33 -18.398 0.393 0.896 1.00 0.00 C ATOM 504 C GLU A 33 -17.948 -1.053 0.743 1.00 0.00 C ATOM 505 O GLU A 33 -17.004 -1.350 0.021 1.00 0.00 O ATOM 506 CB GLU A 33 -17.598 1.072 2.002 1.00 0.00 C ATOM 507 CG GLU A 33 -17.981 2.524 2.226 1.00 0.00 C ATOM 508 CD GLU A 33 -17.144 3.177 3.301 1.00 0.00 C ATOM 509 OE1 GLU A 33 -17.523 3.085 4.488 1.00 0.00 O ATOM 510 OE2 GLU A 33 -16.103 3.775 2.961 1.00 0.00 O1- ATOM 0 H GLU A 33 -20.044 0.799 2.122 1.00 0.00 H new ATOM 0 HA GLU A 33 -18.218 0.918 -0.042 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -17.739 0.520 2.932 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -16.537 1.018 1.757 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -17.866 3.076 1.293 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -19.034 2.582 2.503 1.00 0.00 H new ATOM 517 N LYS A 34 -18.647 -1.956 1.410 1.00 0.00 N ATOM 518 CA LYS A 34 -18.318 -3.367 1.342 1.00 0.00 C ATOM 519 C LYS A 34 -18.866 -3.965 0.059 1.00 0.00 C ATOM 520 O LYS A 34 -18.319 -4.925 -0.482 1.00 0.00 O ATOM 521 CB LYS A 34 -18.869 -4.107 2.562 1.00 0.00 C ATOM 522 CG LYS A 34 -18.113 -3.794 3.841 1.00 0.00 C ATOM 523 CD LYS A 34 -18.701 -4.518 5.039 1.00 0.00 C ATOM 524 CE LYS A 34 -17.902 -4.226 6.300 1.00 0.00 C ATOM 525 NZ LYS A 34 -18.504 -4.855 7.504 1.00 0.00 N1+ ATOM 0 H LYS A 34 -19.446 -1.736 2.005 1.00 0.00 H new ATOM 0 HA LYS A 34 -17.233 -3.476 1.343 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -19.919 -3.845 2.694 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -18.829 -5.180 2.377 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -17.067 -4.078 3.723 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -18.133 -2.719 4.021 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -19.737 -4.210 5.182 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -18.710 -5.592 4.851 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -16.882 -4.589 6.174 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -17.841 -3.148 6.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -17.927 -4.629 8.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -19.468 -4.490 7.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -18.539 -5.886 7.376 1.00 0.00 H new ATOM 539 N ASP A 35 -19.937 -3.370 -0.437 1.00 0.00 N ATOM 540 CA ASP A 35 -20.587 -3.843 -1.648 1.00 0.00 C ATOM 541 C ASP A 35 -19.731 -3.571 -2.877 1.00 0.00 C ATOM 542 O ASP A 35 -19.688 -4.376 -3.801 1.00 0.00 O ATOM 543 CB ASP A 35 -21.950 -3.179 -1.814 1.00 0.00 C ATOM 544 CG ASP A 35 -22.709 -3.724 -3.009 1.00 0.00 C ATOM 545 OD1 ASP A 35 -23.228 -4.856 -2.925 1.00 0.00 O1- ATOM 546 OD2 ASP A 35 -22.782 -3.028 -4.043 1.00 0.00 O ATOM 0 H ASP A 35 -20.378 -2.552 -0.016 1.00 0.00 H new ATOM 0 HA ASP A 35 -20.720 -4.921 -1.553 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -22.540 -3.332 -0.910 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -21.817 -2.103 -1.930 1.00 0.00 H new ATOM 551 N VAL A 36 -19.037 -2.444 -2.877 1.00 0.00 N ATOM 552 CA VAL A 36 -18.238 -2.050 -4.030 1.00 0.00 C ATOM 553 C VAL A 36 -16.887 -2.766 -4.047 1.00 0.00 C ATOM 554 O VAL A 36 -16.275 -2.934 -5.099 1.00 0.00 O ATOM 555 CB VAL A 36 -18.020 -0.520 -4.068 1.00 0.00 C ATOM 556 CG1 VAL A 36 -19.354 0.207 -4.093 1.00 0.00 C ATOM 557 CG2 VAL A 36 -17.185 -0.055 -2.884 1.00 0.00 C ATOM 0 H VAL A 36 -19.010 -1.788 -2.097 1.00 0.00 H new ATOM 0 HA VAL A 36 -18.797 -2.345 -4.918 1.00 0.00 H new ATOM 0 HB VAL A 36 -17.474 -0.281 -4.981 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -19.182 1.283 -4.120 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -19.915 -0.093 -4.978 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -19.924 -0.047 -3.199 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -17.048 1.025 -2.937 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -17.696 -0.311 -1.956 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -16.212 -0.546 -2.910 1.00 0.00 H new ATOM 567 N LEU A 37 -16.429 -3.192 -2.878 1.00 0.00 N ATOM 568 CA LEU A 37 -15.123 -3.829 -2.759 1.00 0.00 C ATOM 569 C LEU A 37 -15.235 -5.344 -2.832 1.00 0.00 C ATOM 570 O LEU A 37 -14.567 -5.989 -3.640 1.00 0.00 O ATOM 571 CB LEU A 37 -14.458 -3.410 -1.451 1.00 0.00 C ATOM 572 CG LEU A 37 -14.385 -1.901 -1.247 1.00 0.00 C ATOM 573 CD1 LEU A 37 -13.706 -1.561 0.066 1.00 0.00 C ATOM 574 CD2 LEU A 37 -13.668 -1.241 -2.409 1.00 0.00 C ATOM 0 H LEU A 37 -16.941 -3.109 -2.000 1.00 0.00 H new ATOM 0 HA LEU A 37 -14.508 -3.501 -3.597 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -15.006 -3.852 -0.619 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -13.448 -3.819 -1.421 1.00 0.00 H new ATOM 0 HG LEU A 37 -15.404 -1.515 -1.207 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -13.667 -0.478 0.186 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -14.269 -1.998 0.891 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -12.693 -1.962 0.066 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -13.625 -0.164 -2.246 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -12.655 -1.637 -2.484 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -14.207 -1.447 -3.334 1.00 0.00 H new ATOM 659 N LYS B 43 -1.044 8.737 13.243 1.00 0.00 N ATOM 660 CA LYS B 43 0.212 8.157 13.700 1.00 0.00 C ATOM 661 C LYS B 43 1.325 8.446 12.697 1.00 0.00 C ATOM 662 O LYS B 43 1.086 9.002 11.624 1.00 0.00 O ATOM 663 CB LYS B 43 0.079 6.636 13.903 1.00 0.00 C ATOM 664 CG LYS B 43 -1.009 6.235 14.892 1.00 0.00 C ATOM 665 CD LYS B 43 -2.379 6.192 14.230 1.00 0.00 C ATOM 666 CE LYS B 43 -3.503 6.185 15.249 1.00 0.00 C ATOM 667 NZ LYS B 43 -3.456 4.991 16.133 1.00 0.00 N1+ ATOM 0 HA LYS B 43 0.462 8.614 14.658 1.00 0.00 H new ATOM 0 HB2 LYS B 43 -0.129 6.168 12.941 1.00 0.00 H new ATOM 0 HB3 LYS B 43 1.034 6.241 14.250 1.00 0.00 H new ATOM 0 HG2 LYS B 43 -0.777 5.257 15.313 1.00 0.00 H new ATOM 0 HG3 LYS B 43 -1.027 6.942 15.721 1.00 0.00 H new ATOM 0 HD2 LYS B 43 -2.491 7.054 13.573 1.00 0.00 H new ATOM 0 HD3 LYS B 43 -2.451 5.302 13.604 1.00 0.00 H new ATOM 0 HE2 LYS B 43 -3.444 7.087 15.858 1.00 0.00 H new ATOM 0 HE3 LYS B 43 -4.461 6.212 14.730 1.00 0.00 H new ATOM 0 HZ1 LYS B 43 -4.262 5.013 16.790 1.00 0.00 H new ATOM 0 HZ2 LYS B 43 -3.504 4.128 15.554 1.00 0.00 H new ATOM 0 HZ3 LYS B 43 -2.568 4.995 16.675 1.00 0.00 H new ATOM 681 N THR B 44 2.536 8.073 13.060 1.00 0.00 N ATOM 682 CA THR B 44 3.683 8.239 12.190 1.00 0.00 C ATOM 683 C THR B 44 4.193 6.894 11.710 1.00 0.00 C ATOM 684 O THR B 44 3.752 5.848 12.194 1.00 0.00 O ATOM 685 CB THR B 44 4.818 8.981 12.912 1.00 0.00 C ATOM 686 OG1 THR B 44 4.873 8.579 14.289 1.00 0.00 O ATOM 687 CG2 THR B 44 4.623 10.479 12.807 1.00 0.00 C ATOM 0 H THR B 44 2.752 7.648 13.962 1.00 0.00 H new ATOM 0 HA THR B 44 3.360 8.829 11.332 1.00 0.00 H new ATOM 0 HB THR B 44 5.763 8.723 12.434 1.00 0.00 H new ATOM 0 HG1 THR B 44 5.601 9.056 14.740 1.00 0.00 H new ATOM 0 HG21 THR B 44 5.436 10.989 13.324 1.00 0.00 H new ATOM 0 HG22 THR B 44 4.620 10.773 11.757 1.00 0.00 H new ATOM 0 HG23 THR B 44 3.673 10.755 13.264 1.00 0.00 H new ATOM 695 N LEU B 45 5.119 6.917 10.768 1.00 0.00 N ATOM 696 CA LEU B 45 5.698 5.689 10.264 1.00 0.00 C ATOM 697 C LEU B 45 6.827 5.223 11.161 1.00 0.00 C ATOM 698 O LEU B 45 7.223 5.918 12.100 1.00 0.00 O ATOM 699 CB LEU B 45 6.194 5.854 8.829 1.00 0.00 C ATOM 700 CG LEU B 45 5.109 6.178 7.809 1.00 0.00 C ATOM 701 CD1 LEU B 45 5.663 6.112 6.401 1.00 0.00 C ATOM 702 CD2 LEU B 45 3.943 5.225 7.965 1.00 0.00 C ATOM 0 H LEU B 45 5.483 7.768 10.340 1.00 0.00 H new ATOM 0 HA LEU B 45 4.915 4.931 10.264 1.00 0.00 H new ATOM 0 HB2 LEU B 45 6.941 6.647 8.807 1.00 0.00 H new ATOM 0 HB3 LEU B 45 6.695 4.935 8.525 1.00 0.00 H new ATOM 0 HG LEU B 45 4.756 7.193 7.989 1.00 0.00 H new ATOM 0 HD11 LEU B 45 4.873 6.346 5.688 1.00 0.00 H new ATOM 0 HD12 LEU B 45 6.473 6.833 6.295 1.00 0.00 H new ATOM 0 HD13 LEU B 45 6.042 5.109 6.206 1.00 0.00 H new ATOM 0 HD21 LEU B 45 3.175 5.467 7.231 1.00 0.00 H new ATOM 0 HD22 LEU B 45 4.286 4.202 7.808 1.00 0.00 H new ATOM 0 HD23 LEU B 45 3.528 5.319 8.969 1.00 0.00 H new ATOM 714 N LYS B 46 7.351 4.054 10.863 1.00 0.00 N ATOM 715 CA LYS B 46 8.377 3.449 11.684 1.00 0.00 C ATOM 716 C LYS B 46 9.752 3.831 11.169 1.00 0.00 C ATOM 717 O LYS B 46 10.622 4.257 11.931 1.00 0.00 O ATOM 718 CB LYS B 46 8.193 1.947 11.682 1.00 0.00 C ATOM 719 CG LYS B 46 6.859 1.535 12.266 1.00 0.00 C ATOM 720 CD LYS B 46 6.398 0.220 11.692 1.00 0.00 C ATOM 721 CE LYS B 46 7.386 -0.892 12.001 1.00 0.00 C ATOM 722 NZ LYS B 46 6.891 -2.219 11.564 1.00 0.00 N1+ ATOM 0 H LYS B 46 7.080 3.499 10.051 1.00 0.00 H new ATOM 0 HA LYS B 46 8.292 3.813 12.708 1.00 0.00 H new ATOM 0 HB2 LYS B 46 8.272 1.574 10.661 1.00 0.00 H new ATOM 0 HB3 LYS B 46 8.997 1.483 12.253 1.00 0.00 H new ATOM 0 HG2 LYS B 46 6.943 1.453 13.350 1.00 0.00 H new ATOM 0 HG3 LYS B 46 6.115 2.305 12.061 1.00 0.00 H new ATOM 0 HD2 LYS B 46 5.420 -0.035 12.101 1.00 0.00 H new ATOM 0 HD3 LYS B 46 6.278 0.314 10.613 1.00 0.00 H new ATOM 0 HE2 LYS B 46 8.335 -0.680 11.508 1.00 0.00 H new ATOM 0 HE3 LYS B 46 7.582 -0.914 13.073 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 7.694 -2.872 11.459 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 6.230 -2.594 12.274 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 6.401 -2.124 10.652 1.00 0.00 H new ATOM 736 N THR B 47 9.941 3.678 9.870 1.00 0.00 N ATOM 737 CA THR B 47 11.156 4.129 9.226 1.00 0.00 C ATOM 738 C THR B 47 11.102 5.640 9.036 1.00 0.00 C ATOM 739 O THR B 47 10.172 6.170 8.428 1.00 0.00 O ATOM 740 CB THR B 47 11.347 3.446 7.860 1.00 0.00 C ATOM 741 OG1 THR B 47 11.342 2.022 8.019 1.00 0.00 O ATOM 742 CG2 THR B 47 12.654 3.887 7.222 1.00 0.00 C ATOM 0 H THR B 47 9.265 3.243 9.242 1.00 0.00 H new ATOM 0 HA THR B 47 12.000 3.864 9.863 1.00 0.00 H new ATOM 0 HB THR B 47 10.523 3.738 7.209 1.00 0.00 H new ATOM 0 HG1 THR B 47 10.573 1.757 8.566 1.00 0.00 H new ATOM 0 HG21 THR B 47 12.772 3.394 6.257 1.00 0.00 H new ATOM 0 HG22 THR B 47 12.643 4.967 7.079 1.00 0.00 H new ATOM 0 HG23 THR B 47 13.486 3.616 7.872 1.00 0.00 H new ATOM 750 N LYS B 48 12.104 6.323 9.575 1.00 0.00 N ATOM 751 CA LYS B 48 12.163 7.778 9.535 1.00 0.00 C ATOM 752 C LYS B 48 12.225 8.284 8.101 1.00 0.00 C ATOM 753 O LYS B 48 11.590 9.279 7.757 1.00 0.00 O ATOM 754 CB LYS B 48 13.381 8.267 10.318 1.00 0.00 C ATOM 755 CG LYS B 48 13.426 9.778 10.529 1.00 0.00 C ATOM 756 CD LYS B 48 12.209 10.287 11.295 1.00 0.00 C ATOM 757 CE LYS B 48 12.115 9.683 12.691 1.00 0.00 C ATOM 758 NZ LYS B 48 13.287 10.033 13.536 1.00 0.00 N1+ ATOM 0 H LYS B 48 12.894 5.887 10.050 1.00 0.00 H new ATOM 0 HA LYS B 48 11.256 8.172 9.993 1.00 0.00 H new ATOM 0 HB2 LYS B 48 13.394 7.775 11.291 1.00 0.00 H new ATOM 0 HB3 LYS B 48 14.284 7.958 9.792 1.00 0.00 H new ATOM 0 HG2 LYS B 48 14.333 10.041 11.074 1.00 0.00 H new ATOM 0 HG3 LYS B 48 13.480 10.277 9.562 1.00 0.00 H new ATOM 0 HD2 LYS B 48 12.259 11.373 11.373 1.00 0.00 H new ATOM 0 HD3 LYS B 48 11.304 10.049 10.736 1.00 0.00 H new ATOM 0 HE2 LYS B 48 11.203 10.032 13.175 1.00 0.00 H new ATOM 0 HE3 LYS B 48 12.038 8.599 12.611 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 13.104 9.748 14.519 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 14.130 9.537 13.183 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 13.448 11.060 13.498 1.00 0.00 H new ATOM 772 N ALA B 49 12.976 7.575 7.265 1.00 0.00 N ATOM 773 CA ALA B 49 13.119 7.935 5.859 1.00 0.00 C ATOM 774 C ALA B 49 11.806 7.764 5.107 1.00 0.00 C ATOM 775 O ALA B 49 11.652 8.263 4.000 1.00 0.00 O ATOM 776 CB ALA B 49 14.207 7.097 5.210 1.00 0.00 C ATOM 0 H ALA B 49 13.498 6.743 7.539 1.00 0.00 H new ATOM 0 HA ALA B 49 13.401 8.987 5.809 1.00 0.00 H new ATOM 0 HB1 ALA B 49 14.304 7.376 4.161 1.00 0.00 H new ATOM 0 HB2 ALA B 49 15.154 7.272 5.721 1.00 0.00 H new ATOM 0 HB3 ALA B 49 13.945 6.041 5.282 1.00 0.00 H new ATOM 782 N PHE B 50 10.868 7.047 5.710 1.00 0.00 N ATOM 783 CA PHE B 50 9.554 6.849 5.114 1.00 0.00 C ATOM 784 C PHE B 50 8.555 7.833 5.701 1.00 0.00 C ATOM 785 O PHE B 50 7.720 8.391 4.985 1.00 0.00 O ATOM 786 CB PHE B 50 9.066 5.417 5.340 1.00 0.00 C ATOM 787 CG PHE B 50 9.586 4.423 4.339 1.00 0.00 C ATOM 788 CD1 PHE B 50 10.888 4.496 3.866 1.00 0.00 C ATOM 789 CD2 PHE B 50 8.760 3.421 3.862 1.00 0.00 C ATOM 790 CE1 PHE B 50 11.354 3.582 2.940 1.00 0.00 C ATOM 791 CE2 PHE B 50 9.221 2.506 2.935 1.00 0.00 C ATOM 792 CZ PHE B 50 10.519 2.586 2.473 1.00 0.00 C ATOM 0 H PHE B 50 10.993 6.592 6.614 1.00 0.00 H new ATOM 0 HA PHE B 50 9.638 7.023 4.041 1.00 0.00 H new ATOM 0 HB2 PHE B 50 9.362 5.098 6.339 1.00 0.00 H new ATOM 0 HB3 PHE B 50 7.976 5.408 5.312 1.00 0.00 H new ATOM 0 HD1 PHE B 50 11.544 5.275 4.225 1.00 0.00 H new ATOM 0 HD2 PHE B 50 7.743 3.353 4.218 1.00 0.00 H new ATOM 0 HE1 PHE B 50 12.371 3.647 2.582 1.00 0.00 H new ATOM 0 HE2 PHE B 50 8.566 1.728 2.572 1.00 0.00 H new ATOM 0 HZ PHE B 50 10.881 1.872 1.748 1.00 0.00 H new ATOM 802 N ASP B 51 8.653 8.048 7.011 1.00 0.00 N ATOM 803 CA ASP B 51 7.741 8.943 7.714 1.00 0.00 C ATOM 804 C ASP B 51 7.810 10.345 7.133 1.00 0.00 C ATOM 805 O ASP B 51 6.792 11.023 7.000 1.00 0.00 O ATOM 806 CB ASP B 51 8.062 9.000 9.208 1.00 0.00 C ATOM 807 CG ASP B 51 7.102 9.902 9.956 1.00 0.00 C ATOM 808 OD1 ASP B 51 5.907 9.550 10.050 1.00 0.00 O ATOM 809 OD2 ASP B 51 7.542 10.961 10.457 1.00 0.00 O1- ATOM 0 H ASP B 51 9.357 7.613 7.607 1.00 0.00 H new ATOM 0 HA ASP B 51 6.734 8.547 7.585 1.00 0.00 H new ATOM 0 HB2 ASP B 51 8.018 7.995 9.628 1.00 0.00 H new ATOM 0 HB3 ASP B 51 9.082 9.359 9.347 1.00 0.00 H new ATOM 814 N ASP B 52 9.021 10.762 6.775 1.00 0.00 N ATOM 815 CA ASP B 52 9.248 12.082 6.197 1.00 0.00 C ATOM 816 C ASP B 52 8.297 12.354 5.040 1.00 0.00 C ATOM 817 O ASP B 52 7.599 13.365 5.030 1.00 0.00 O ATOM 818 CB ASP B 52 10.699 12.230 5.730 1.00 0.00 C ATOM 819 CG ASP B 52 11.668 12.420 6.882 1.00 0.00 C ATOM 820 OD1 ASP B 52 11.273 13.034 7.898 1.00 0.00 O ATOM 821 OD2 ASP B 52 12.834 11.979 6.763 1.00 0.00 O1- ATOM 0 H ASP B 52 9.866 10.200 6.876 1.00 0.00 H new ATOM 0 HA ASP B 52 9.053 12.817 6.978 1.00 0.00 H new ATOM 0 HB2 ASP B 52 10.986 11.345 5.162 1.00 0.00 H new ATOM 0 HB3 ASP B 52 10.774 13.081 5.053 1.00 0.00 H new ATOM 826 N ILE B 53 8.239 11.435 4.090 1.00 0.00 N ATOM 827 CA ILE B 53 7.386 11.607 2.922 1.00 0.00 C ATOM 828 C ILE B 53 5.914 11.571 3.309 1.00 0.00 C ATOM 829 O ILE B 53 5.121 12.363 2.814 1.00 0.00 O ATOM 830 CB ILE B 53 7.663 10.536 1.849 1.00 0.00 C ATOM 831 CG1 ILE B 53 9.094 10.662 1.339 1.00 0.00 C ATOM 832 CG2 ILE B 53 6.676 10.642 0.695 1.00 0.00 C ATOM 833 CD1 ILE B 53 10.053 9.698 1.984 1.00 0.00 C ATOM 0 H ILE B 53 8.770 10.564 4.103 1.00 0.00 H new ATOM 0 HA ILE B 53 7.621 12.585 2.501 1.00 0.00 H new ATOM 0 HB ILE B 53 7.535 9.556 2.308 1.00 0.00 H new ATOM 0 HG12 ILE B 53 9.102 10.502 0.261 1.00 0.00 H new ATOM 0 HG13 ILE B 53 9.444 11.680 1.512 1.00 0.00 H new ATOM 0 HG21 ILE B 53 6.898 9.873 -0.045 1.00 0.00 H new ATOM 0 HG22 ILE B 53 5.662 10.503 1.070 1.00 0.00 H new ATOM 0 HG23 ILE B 53 6.761 11.626 0.233 1.00 0.00 H new ATOM 0 HD11 ILE B 53 11.051 9.846 1.571 1.00 0.00 H new ATOM 0 HD12 ILE B 53 10.076 9.872 3.060 1.00 0.00 H new ATOM 0 HD13 ILE B 53 9.728 8.676 1.789 1.00 0.00 H new ATOM 845 N TYR B 54 5.561 10.673 4.219 1.00 0.00 N ATOM 846 CA TYR B 54 4.173 10.531 4.650 1.00 0.00 C ATOM 847 C TYR B 54 3.658 11.832 5.265 1.00 0.00 C ATOM 848 O TYR B 54 2.473 12.150 5.168 1.00 0.00 O ATOM 849 CB TYR B 54 4.043 9.380 5.653 1.00 0.00 C ATOM 850 CG TYR B 54 2.617 9.088 6.073 1.00 0.00 C ATOM 851 CD1 TYR B 54 1.718 8.501 5.191 1.00 0.00 C ATOM 852 CD2 TYR B 54 2.173 9.393 7.353 1.00 0.00 C ATOM 853 CE1 TYR B 54 0.420 8.228 5.572 1.00 0.00 C ATOM 854 CE2 TYR B 54 0.875 9.123 7.742 1.00 0.00 C ATOM 855 CZ TYR B 54 0.003 8.540 6.848 1.00 0.00 C ATOM 856 OH TYR B 54 -1.293 8.265 7.230 1.00 0.00 O ATOM 0 H TYR B 54 6.213 10.033 4.673 1.00 0.00 H new ATOM 0 HA TYR B 54 3.565 10.304 3.774 1.00 0.00 H new ATOM 0 HB2 TYR B 54 4.474 8.480 5.215 1.00 0.00 H new ATOM 0 HB3 TYR B 54 4.631 9.616 6.540 1.00 0.00 H new ATOM 0 HD1 TYR B 54 2.041 8.254 4.190 1.00 0.00 H new ATOM 0 HD2 TYR B 54 2.854 9.849 8.056 1.00 0.00 H new ATOM 0 HE1 TYR B 54 -0.266 7.772 4.873 1.00 0.00 H new ATOM 0 HE2 TYR B 54 0.546 9.367 8.741 1.00 0.00 H new ATOM 0 HH TYR B 54 -1.620 7.482 6.739 1.00 0.00 H new ATOM 866 N GLN B 55 4.556 12.592 5.881 1.00 0.00 N ATOM 867 CA GLN B 55 4.180 13.850 6.511 1.00 0.00 C ATOM 868 C GLN B 55 4.307 15.022 5.536 1.00 0.00 C ATOM 869 O GLN B 55 3.692 16.068 5.728 1.00 0.00 O ATOM 870 CB GLN B 55 5.050 14.115 7.743 1.00 0.00 C ATOM 871 CG GLN B 55 5.085 12.969 8.746 1.00 0.00 C ATOM 872 CD GLN B 55 3.708 12.514 9.190 1.00 0.00 C ATOM 873 OE1 GLN B 55 2.752 13.295 9.208 1.00 0.00 O ATOM 874 NE2 GLN B 55 3.605 11.252 9.580 1.00 0.00 N ATOM 0 H GLN B 55 5.546 12.359 5.957 1.00 0.00 H new ATOM 0 HA GLN B 55 3.137 13.764 6.815 1.00 0.00 H new ATOM 0 HB2 GLN B 55 6.068 14.326 7.415 1.00 0.00 H new ATOM 0 HB3 GLN B 55 4.684 15.011 8.245 1.00 0.00 H new ATOM 0 HG2 GLN B 55 5.613 12.125 8.303 1.00 0.00 H new ATOM 0 HG3 GLN B 55 5.657 13.279 9.621 1.00 0.00 H new ATOM 0 HE21 GLN B 55 4.421 10.640 9.549 1.00 0.00 H new ATOM 0 HE22 GLN B 55 2.710 10.892 9.911 1.00 0.00 H new ATOM 883 N ASN B 56 5.098 14.842 4.485 1.00 0.00 N ATOM 884 CA ASN B 56 5.386 15.932 3.552 1.00 0.00 C ATOM 885 C ASN B 56 4.621 15.789 2.240 1.00 0.00 C ATOM 886 O ASN B 56 4.666 16.676 1.388 1.00 0.00 O ATOM 887 CB ASN B 56 6.888 16.008 3.277 1.00 0.00 C ATOM 888 CG ASN B 56 7.639 16.721 4.384 1.00 0.00 C ATOM 889 OD1 ASN B 56 7.850 17.932 4.324 1.00 0.00 O ATOM 890 ND2 ASN B 56 8.043 15.981 5.401 1.00 0.00 N ATOM 0 H ASN B 56 5.551 13.957 4.255 1.00 0.00 H new ATOM 0 HA ASN B 56 5.053 16.857 4.024 1.00 0.00 H new ATOM 0 HB2 ASN B 56 7.286 15.000 3.162 1.00 0.00 H new ATOM 0 HB3 ASN B 56 7.057 16.527 2.333 1.00 0.00 H new ATOM 0 HD21 ASN B 56 8.550 16.411 6.175 1.00 0.00 H new ATOM 0 HD22 ASN B 56 7.848 14.980 5.413 1.00 0.00 H new ATOM 897 N SER B 57 3.920 14.683 2.075 1.00 0.00 N ATOM 898 CA SER B 57 3.136 14.459 0.875 1.00 0.00 C ATOM 899 C SER B 57 1.653 14.494 1.200 1.00 0.00 C ATOM 900 O SER B 57 1.010 13.459 1.397 1.00 0.00 O ATOM 901 CB SER B 57 3.517 13.136 0.212 1.00 0.00 C ATOM 902 OG SER B 57 4.850 13.180 -0.265 1.00 0.00 O ATOM 0 H SER B 57 3.877 13.926 2.757 1.00 0.00 H new ATOM 0 HA SER B 57 3.353 15.260 0.168 1.00 0.00 H new ATOM 0 HB2 SER B 57 3.408 12.321 0.927 1.00 0.00 H new ATOM 0 HB3 SER B 57 2.837 12.928 -0.614 1.00 0.00 H new ATOM 0 HG SER B 57 5.025 12.392 -0.821 1.00 0.00 H new ATOM 908 N ALA B 58 1.118 15.701 1.253 1.00 0.00 N ATOM 909 CA ALA B 58 -0.288 15.904 1.536 1.00 0.00 C ATOM 910 C ALA B 58 -1.145 15.440 0.364 1.00 0.00 C ATOM 911 O ALA B 58 -2.316 15.106 0.535 1.00 0.00 O ATOM 912 CB ALA B 58 -0.541 17.366 1.852 1.00 0.00 C ATOM 0 H ALA B 58 1.644 16.562 1.102 1.00 0.00 H new ATOM 0 HA ALA B 58 -0.566 15.307 2.405 1.00 0.00 H new ATOM 0 HB1 ALA B 58 -1.600 17.514 2.064 1.00 0.00 H new ATOM 0 HB2 ALA B 58 0.048 17.657 2.722 1.00 0.00 H new ATOM 0 HB3 ALA B 58 -0.253 17.978 0.997 1.00 0.00 H new ATOM 918 N GLU B 59 -0.538 15.382 -0.822 1.00 0.00 N ATOM 919 CA GLU B 59 -1.236 14.917 -2.011 1.00 0.00 C ATOM 920 C GLU B 59 -1.384 13.407 -1.953 1.00 0.00 C ATOM 921 O GLU B 59 -2.216 12.817 -2.640 1.00 0.00 O ATOM 922 CB GLU B 59 -0.500 15.329 -3.291 1.00 0.00 C ATOM 923 CG GLU B 59 0.950 14.878 -3.349 1.00 0.00 C ATOM 924 CD GLU B 59 1.907 15.884 -2.749 1.00 0.00 C ATOM 925 OE1 GLU B 59 2.007 15.953 -1.511 1.00 0.00 O1- ATOM 926 OE2 GLU B 59 2.565 16.612 -3.515 1.00 0.00 O ATOM 0 H GLU B 59 0.433 15.651 -0.980 1.00 0.00 H new ATOM 0 HA GLU B 59 -2.222 15.381 -2.034 1.00 0.00 H new ATOM 0 HB2 GLU B 59 -1.031 14.919 -4.150 1.00 0.00 H new ATOM 0 HB3 GLU B 59 -0.535 16.415 -3.383 1.00 0.00 H new ATOM 0 HG2 GLU B 59 1.051 13.930 -2.821 1.00 0.00 H new ATOM 0 HG3 GLU B 59 1.227 14.696 -4.387 1.00 0.00 H new ATOM 933 N LEU B 60 -0.552 12.791 -1.134 1.00 0.00 N ATOM 934 CA LEU B 60 -0.621 11.365 -0.902 1.00 0.00 C ATOM 935 C LEU B 60 -1.656 11.057 0.168 1.00 0.00 C ATOM 936 O LEU B 60 -2.510 10.190 -0.004 1.00 0.00 O ATOM 937 CB LEU B 60 0.731 10.837 -0.451 1.00 0.00 C ATOM 938 CG LEU B 60 0.763 9.341 -0.187 1.00 0.00 C ATOM 939 CD1 LEU B 60 0.993 8.584 -1.480 1.00 0.00 C ATOM 940 CD2 LEU B 60 1.813 9.010 0.852 1.00 0.00 C ATOM 0 H LEU B 60 0.187 13.265 -0.614 1.00 0.00 H new ATOM 0 HA LEU B 60 -0.906 10.880 -1.836 1.00 0.00 H new ATOM 0 HB2 LEU B 60 1.473 11.075 -1.213 1.00 0.00 H new ATOM 0 HB3 LEU B 60 1.027 11.361 0.458 1.00 0.00 H new ATOM 0 HG LEU B 60 -0.202 9.029 0.212 1.00 0.00 H new ATOM 0 HD11 LEU B 60 1.014 7.513 -1.276 1.00 0.00 H new ATOM 0 HD12 LEU B 60 0.186 8.805 -2.179 1.00 0.00 H new ATOM 0 HD13 LEU B 60 1.944 8.889 -1.916 1.00 0.00 H new ATOM 0 HD21 LEU B 60 1.823 7.935 1.030 1.00 0.00 H new ATOM 0 HD22 LEU B 60 2.792 9.328 0.494 1.00 0.00 H new ATOM 0 HD23 LEU B 60 1.581 9.529 1.782 1.00 0.00 H new ATOM 952 N GLN B 61 -1.572 11.784 1.276 1.00 0.00 N ATOM 953 CA GLN B 61 -2.450 11.561 2.420 1.00 0.00 C ATOM 954 C GLN B 61 -3.912 11.786 2.046 1.00 0.00 C ATOM 955 O GLN B 61 -4.813 11.212 2.658 1.00 0.00 O ATOM 956 CB GLN B 61 -2.038 12.473 3.583 1.00 0.00 C ATOM 957 CG GLN B 61 -2.944 12.387 4.809 1.00 0.00 C ATOM 958 CD GLN B 61 -3.116 10.974 5.348 1.00 0.00 C ATOM 959 OE1 GLN B 61 -4.149 10.644 5.931 1.00 0.00 O ATOM 960 NE2 GLN B 61 -2.119 10.128 5.150 1.00 0.00 N ATOM 0 H GLN B 61 -0.899 12.539 1.407 1.00 0.00 H new ATOM 0 HA GLN B 61 -2.348 10.522 2.735 1.00 0.00 H new ATOM 0 HB2 GLN B 61 -1.020 12.222 3.881 1.00 0.00 H new ATOM 0 HB3 GLN B 61 -2.022 13.504 3.231 1.00 0.00 H new ATOM 0 HG2 GLN B 61 -2.534 13.019 5.597 1.00 0.00 H new ATOM 0 HG3 GLN B 61 -3.924 12.790 4.554 1.00 0.00 H new ATOM 0 HE21 GLN B 61 -1.278 10.436 4.663 1.00 0.00 H new ATOM 0 HE22 GLN B 61 -2.191 9.167 5.485 1.00 0.00 H new ATOM 969 N GLU B 62 -4.143 12.587 1.016 1.00 0.00 N ATOM 970 CA GLU B 62 -5.504 12.863 0.575 1.00 0.00 C ATOM 971 C GLU B 62 -6.087 11.631 -0.111 1.00 0.00 C ATOM 972 O GLU B 62 -7.304 11.483 -0.220 1.00 0.00 O ATOM 973 CB GLU B 62 -5.550 14.074 -0.363 1.00 0.00 C ATOM 974 CG GLU B 62 -5.049 13.796 -1.768 1.00 0.00 C ATOM 975 CD GLU B 62 -5.000 15.045 -2.621 1.00 0.00 C ATOM 976 OE1 GLU B 62 -4.029 15.818 -2.499 1.00 0.00 O ATOM 977 OE2 GLU B 62 -5.938 15.262 -3.416 1.00 0.00 O1- ATOM 0 H GLU B 62 -3.415 13.053 0.475 1.00 0.00 H new ATOM 0 HA GLU B 62 -6.107 13.102 1.451 1.00 0.00 H new ATOM 0 HB2 GLU B 62 -6.577 14.435 -0.421 1.00 0.00 H new ATOM 0 HB3 GLU B 62 -4.954 14.877 0.070 1.00 0.00 H new ATOM 0 HG2 GLU B 62 -4.053 13.356 -1.715 1.00 0.00 H new ATOM 0 HG3 GLU B 62 -5.698 13.060 -2.243 1.00 0.00 H new ATOM 984 N LEU B 63 -5.203 10.742 -0.554 1.00 0.00 N ATOM 985 CA LEU B 63 -5.619 9.510 -1.205 1.00 0.00 C ATOM 986 C LEU B 63 -5.962 8.465 -0.156 1.00 0.00 C ATOM 987 O LEU B 63 -6.887 7.677 -0.325 1.00 0.00 O ATOM 988 CB LEU B 63 -4.507 8.989 -2.115 1.00 0.00 C ATOM 989 CG LEU B 63 -4.051 9.964 -3.201 1.00 0.00 C ATOM 990 CD1 LEU B 63 -2.804 9.441 -3.889 1.00 0.00 C ATOM 991 CD2 LEU B 63 -5.162 10.196 -4.214 1.00 0.00 C ATOM 0 H LEU B 63 -4.193 10.855 -0.472 1.00 0.00 H new ATOM 0 HA LEU B 63 -6.501 9.713 -1.812 1.00 0.00 H new ATOM 0 HB2 LEU B 63 -3.647 8.727 -1.499 1.00 0.00 H new ATOM 0 HB3 LEU B 63 -4.849 8.071 -2.592 1.00 0.00 H new ATOM 0 HG LEU B 63 -3.813 10.918 -2.731 1.00 0.00 H new ATOM 0 HD11 LEU B 63 -2.491 10.145 -4.660 1.00 0.00 H new ATOM 0 HD12 LEU B 63 -2.005 9.326 -3.156 1.00 0.00 H new ATOM 0 HD13 LEU B 63 -3.019 8.475 -4.346 1.00 0.00 H new ATOM 0 HD21 LEU B 63 -4.818 10.893 -4.978 1.00 0.00 H new ATOM 0 HD22 LEU B 63 -5.432 9.249 -4.681 1.00 0.00 H new ATOM 0 HD23 LEU B 63 -6.033 10.613 -3.709 1.00 0.00 H new ATOM 1003 N LEU B 64 -5.227 8.496 0.953 1.00 0.00 N ATOM 1004 CA LEU B 64 -5.443 7.562 2.057 1.00 0.00 C ATOM 1005 C LEU B 64 -6.734 7.869 2.809 1.00 0.00 C ATOM 1006 O LEU B 64 -7.010 7.274 3.851 1.00 0.00 O ATOM 1007 CB LEU B 64 -4.258 7.584 3.032 1.00 0.00 C ATOM 1008 CG LEU B 64 -3.040 6.749 2.622 1.00 0.00 C ATOM 1009 CD1 LEU B 64 -3.449 5.321 2.292 1.00 0.00 C ATOM 1010 CD2 LEU B 64 -2.311 7.390 1.454 1.00 0.00 C ATOM 0 H LEU B 64 -4.471 9.162 1.112 1.00 0.00 H new ATOM 0 HA LEU B 64 -5.529 6.566 1.622 1.00 0.00 H new ATOM 0 HB2 LEU B 64 -3.939 8.618 3.162 1.00 0.00 H new ATOM 0 HB3 LEU B 64 -4.605 7.233 4.004 1.00 0.00 H new ATOM 0 HG LEU B 64 -2.353 6.716 3.468 1.00 0.00 H new ATOM 0 HD11 LEU B 64 -2.568 4.748 2.004 1.00 0.00 H new ATOM 0 HD12 LEU B 64 -3.910 4.863 3.167 1.00 0.00 H new ATOM 0 HD13 LEU B 64 -4.163 5.328 1.468 1.00 0.00 H new ATOM 0 HD21 LEU B 64 -1.451 6.778 1.182 1.00 0.00 H new ATOM 0 HD22 LEU B 64 -2.986 7.466 0.602 1.00 0.00 H new ATOM 0 HD23 LEU B 64 -1.972 8.386 1.739 1.00 0.00 H new ATOM 1022 N LYS B 65 -7.519 8.795 2.278 1.00 0.00 N ATOM 1023 CA LYS B 65 -8.810 9.122 2.856 1.00 0.00 C ATOM 1024 C LYS B 65 -9.893 8.233 2.261 1.00 0.00 C ATOM 1025 O LYS B 65 -11.012 8.184 2.769 1.00 0.00 O ATOM 1026 CB LYS B 65 -9.158 10.593 2.613 1.00 0.00 C ATOM 1027 CG LYS B 65 -8.117 11.571 3.131 1.00 0.00 C ATOM 1028 CD LYS B 65 -7.848 11.374 4.613 1.00 0.00 C ATOM 1029 CE LYS B 65 -6.849 12.390 5.133 1.00 0.00 C ATOM 1030 NZ LYS B 65 -6.471 12.122 6.544 1.00 0.00 N1+ ATOM 0 H LYS B 65 -7.282 9.334 1.445 1.00 0.00 H new ATOM 0 HA LYS B 65 -8.754 8.950 3.931 1.00 0.00 H new ATOM 0 HB2 LYS B 65 -9.289 10.752 1.543 1.00 0.00 H new ATOM 0 HB3 LYS B 65 -10.115 10.812 3.088 1.00 0.00 H new ATOM 0 HG2 LYS B 65 -7.189 11.444 2.573 1.00 0.00 H new ATOM 0 HG3 LYS B 65 -8.458 12.591 2.956 1.00 0.00 H new ATOM 0 HD2 LYS B 65 -8.782 11.462 5.169 1.00 0.00 H new ATOM 0 HD3 LYS B 65 -7.468 10.367 4.785 1.00 0.00 H new ATOM 0 HE2 LYS B 65 -5.956 12.374 4.508 1.00 0.00 H new ATOM 0 HE3 LYS B 65 -7.274 13.391 5.055 1.00 0.00 H new ATOM 0 HZ1 LYS B 65 -6.318 13.023 7.040 1.00 0.00 H new ATOM 0 HZ2 LYS B 65 -7.234 11.594 7.014 1.00 0.00 H new ATOM 0 HZ3 LYS B 65 -5.596 11.561 6.568 1.00 0.00 H new ATOM 1044 N TYR B 66 -9.559 7.523 1.188 1.00 0.00 N ATOM 1045 CA TYR B 66 -10.522 6.671 0.520 1.00 0.00 C ATOM 1046 C TYR B 66 -10.398 5.244 1.033 1.00 0.00 C ATOM 1047 O TYR B 66 -9.361 4.603 0.871 1.00 0.00 O ATOM 1048 CB TYR B 66 -10.303 6.713 -0.994 1.00 0.00 C ATOM 1049 CG TYR B 66 -10.456 8.091 -1.604 1.00 0.00 C ATOM 1050 CD1 TYR B 66 -11.694 8.541 -2.042 1.00 0.00 C ATOM 1051 CD2 TYR B 66 -9.362 8.939 -1.742 1.00 0.00 C ATOM 1052 CE1 TYR B 66 -11.838 9.795 -2.600 1.00 0.00 C ATOM 1053 CE2 TYR B 66 -9.498 10.197 -2.300 1.00 0.00 C ATOM 1054 CZ TYR B 66 -10.740 10.620 -2.727 1.00 0.00 C ATOM 1055 OH TYR B 66 -10.889 11.871 -3.280 1.00 0.00 O ATOM 0 H TYR B 66 -8.630 7.524 0.767 1.00 0.00 H new ATOM 0 HA TYR B 66 -11.526 7.035 0.736 1.00 0.00 H new ATOM 0 HB2 TYR B 66 -9.304 6.338 -1.216 1.00 0.00 H new ATOM 0 HB3 TYR B 66 -11.011 6.036 -1.471 1.00 0.00 H new ATOM 0 HD1 TYR B 66 -12.558 7.900 -1.945 1.00 0.00 H new ATOM 0 HD2 TYR B 66 -8.389 8.609 -1.408 1.00 0.00 H new ATOM 0 HE1 TYR B 66 -12.808 10.130 -2.936 1.00 0.00 H new ATOM 0 HE2 TYR B 66 -8.639 10.843 -2.401 1.00 0.00 H new ATOM 0 HH TYR B 66 -10.022 12.327 -3.297 1.00 0.00 H new ATOM 1065 N ASN B 67 -11.457 4.752 1.660 1.00 0.00 N ATOM 1066 CA ASN B 67 -11.464 3.406 2.227 1.00 0.00 C ATOM 1067 C ASN B 67 -11.282 2.356 1.139 1.00 0.00 C ATOM 1068 O ASN B 67 -10.763 1.272 1.396 1.00 0.00 O ATOM 1069 CB ASN B 67 -12.764 3.147 2.990 1.00 0.00 C ATOM 1070 CG ASN B 67 -12.865 3.955 4.269 1.00 0.00 C ATOM 1071 OD1 ASN B 67 -11.857 4.264 4.905 1.00 0.00 O ATOM 1072 ND2 ASN B 67 -14.081 4.308 4.652 1.00 0.00 N ATOM 0 H ASN B 67 -12.328 5.266 1.791 1.00 0.00 H new ATOM 0 HA ASN B 67 -10.628 3.334 2.923 1.00 0.00 H new ATOM 0 HB2 ASN B 67 -13.611 3.386 2.347 1.00 0.00 H new ATOM 0 HB3 ASN B 67 -12.834 2.086 3.229 1.00 0.00 H new ATOM 0 HD21 ASN B 67 -14.209 4.856 5.503 1.00 0.00 H new ATOM 0 HD22 ASN B 67 -14.891 4.032 4.097 1.00 0.00 H new ATOM 1079 N THR B 68 -11.696 2.691 -0.077 1.00 0.00 N ATOM 1080 CA THR B 68 -11.522 1.808 -1.221 1.00 0.00 C ATOM 1081 C THR B 68 -10.038 1.558 -1.495 1.00 0.00 C ATOM 1082 O THR B 68 -9.632 0.446 -1.851 1.00 0.00 O ATOM 1083 CB THR B 68 -12.188 2.409 -2.478 1.00 0.00 C ATOM 1084 OG1 THR B 68 -13.598 2.551 -2.263 1.00 0.00 O ATOM 1085 CG2 THR B 68 -11.942 1.547 -3.710 1.00 0.00 C ATOM 0 H THR B 68 -12.157 3.574 -0.296 1.00 0.00 H new ATOM 0 HA THR B 68 -12.001 0.858 -0.985 1.00 0.00 H new ATOM 0 HB THR B 68 -11.741 3.387 -2.656 1.00 0.00 H new ATOM 0 HG1 THR B 68 -14.014 2.934 -3.063 1.00 0.00 H new ATOM 0 HG21 THR B 68 -12.426 2.002 -4.575 1.00 0.00 H new ATOM 0 HG22 THR B 68 -10.870 1.470 -3.892 1.00 0.00 H new ATOM 0 HG23 THR B 68 -12.354 0.551 -3.546 1.00 0.00 H new ATOM 1093 N VAL B 69 -9.226 2.588 -1.298 1.00 0.00 N ATOM 1094 CA VAL B 69 -7.805 2.496 -1.589 1.00 0.00 C ATOM 1095 C VAL B 69 -7.080 1.827 -0.429 1.00 0.00 C ATOM 1096 O VAL B 69 -6.198 0.995 -0.632 1.00 0.00 O ATOM 1097 CB VAL B 69 -7.196 3.888 -1.901 1.00 0.00 C ATOM 1098 CG1 VAL B 69 -8.169 4.698 -2.732 1.00 0.00 C ATOM 1099 CG2 VAL B 69 -6.780 4.655 -0.654 1.00 0.00 C ATOM 0 H VAL B 69 -9.528 3.494 -0.939 1.00 0.00 H new ATOM 0 HA VAL B 69 -7.677 1.884 -2.482 1.00 0.00 H new ATOM 0 HB VAL B 69 -6.281 3.718 -2.468 1.00 0.00 H new ATOM 0 HG11 VAL B 69 -7.737 5.675 -2.949 1.00 0.00 H new ATOM 0 HG12 VAL B 69 -8.372 4.176 -3.667 1.00 0.00 H new ATOM 0 HG13 VAL B 69 -9.100 4.827 -2.179 1.00 0.00 H new ATOM 0 HG21 VAL B 69 -6.362 5.619 -0.943 1.00 0.00 H new ATOM 0 HG22 VAL B 69 -7.650 4.813 -0.017 1.00 0.00 H new ATOM 0 HG23 VAL B 69 -6.029 4.083 -0.108 1.00 0.00 H new ATOM 1109 N LYS B 70 -7.493 2.171 0.788 1.00 0.00 N ATOM 1110 CA LYS B 70 -6.928 1.571 1.990 1.00 0.00 C ATOM 1111 C LYS B 70 -7.212 0.072 2.006 1.00 0.00 C ATOM 1112 O LYS B 70 -6.385 -0.722 2.444 1.00 0.00 O ATOM 1113 CB LYS B 70 -7.510 2.224 3.248 1.00 0.00 C ATOM 1114 CG LYS B 70 -7.417 3.742 3.250 1.00 0.00 C ATOM 1115 CD LYS B 70 -8.049 4.342 4.498 1.00 0.00 C ATOM 1116 CE LYS B 70 -7.142 4.217 5.714 1.00 0.00 C ATOM 1117 NZ LYS B 70 -5.938 5.085 5.599 1.00 0.00 N1+ ATOM 0 H LYS B 70 -8.219 2.865 0.966 1.00 0.00 H new ATOM 0 HA LYS B 70 -5.850 1.734 1.982 1.00 0.00 H new ATOM 0 HB2 LYS B 70 -8.556 1.933 3.346 1.00 0.00 H new ATOM 0 HB3 LYS B 70 -6.988 1.836 4.122 1.00 0.00 H new ATOM 0 HG2 LYS B 70 -6.371 4.043 3.191 1.00 0.00 H new ATOM 0 HG3 LYS B 70 -7.913 4.138 2.364 1.00 0.00 H new ATOM 0 HD2 LYS B 70 -8.274 5.394 4.320 1.00 0.00 H new ATOM 0 HD3 LYS B 70 -8.997 3.843 4.700 1.00 0.00 H new ATOM 0 HE2 LYS B 70 -7.699 4.486 6.612 1.00 0.00 H new ATOM 0 HE3 LYS B 70 -6.831 3.179 5.830 1.00 0.00 H new ATOM 0 HZ1 LYS B 70 -5.444 5.117 6.514 1.00 0.00 H new ATOM 0 HZ2 LYS B 70 -5.300 4.699 4.874 1.00 0.00 H new ATOM 0 HZ3 LYS B 70 -6.228 6.047 5.329 1.00 0.00 H new ATOM 1131 N PHE B 71 -8.390 -0.294 1.509 1.00 0.00 N ATOM 1132 CA PHE B 71 -8.794 -1.691 1.391 1.00 0.00 C ATOM 1133 C PHE B 71 -7.793 -2.477 0.555 1.00 0.00 C ATOM 1134 O PHE B 71 -7.292 -3.519 0.976 1.00 0.00 O ATOM 1135 CB PHE B 71 -10.188 -1.766 0.756 1.00 0.00 C ATOM 1136 CG PHE B 71 -10.612 -3.145 0.329 1.00 0.00 C ATOM 1137 CD1 PHE B 71 -11.155 -4.033 1.241 1.00 0.00 C ATOM 1138 CD2 PHE B 71 -10.477 -3.546 -0.991 1.00 0.00 C ATOM 1139 CE1 PHE B 71 -11.552 -5.295 0.846 1.00 0.00 C ATOM 1140 CE2 PHE B 71 -10.871 -4.807 -1.392 1.00 0.00 C ATOM 1141 CZ PHE B 71 -11.411 -5.682 -0.473 1.00 0.00 C ATOM 0 H PHE B 71 -9.091 0.369 1.177 1.00 0.00 H new ATOM 0 HA PHE B 71 -8.823 -2.134 2.387 1.00 0.00 H new ATOM 0 HB2 PHE B 71 -10.918 -1.381 1.468 1.00 0.00 H new ATOM 0 HB3 PHE B 71 -10.212 -1.108 -0.113 1.00 0.00 H new ATOM 0 HD1 PHE B 71 -11.269 -3.736 2.273 1.00 0.00 H new ATOM 0 HD2 PHE B 71 -10.058 -2.863 -1.715 1.00 0.00 H new ATOM 0 HE1 PHE B 71 -11.973 -5.980 1.568 1.00 0.00 H new ATOM 0 HE2 PHE B 71 -10.757 -5.107 -2.423 1.00 0.00 H new ATOM 0 HZ PHE B 71 -11.723 -6.668 -0.784 1.00 0.00 H new ATOM 1151 N HIS B 72 -7.495 -1.960 -0.626 1.00 0.00 N ATOM 1152 CA HIS B 72 -6.613 -2.645 -1.556 1.00 0.00 C ATOM 1153 C HIS B 72 -5.175 -2.640 -1.057 1.00 0.00 C ATOM 1154 O HIS B 72 -4.411 -3.563 -1.338 1.00 0.00 O ATOM 1155 CB HIS B 72 -6.711 -2.011 -2.941 1.00 0.00 C ATOM 1156 CG HIS B 72 -7.967 -2.386 -3.665 1.00 0.00 C ATOM 1157 ND1 HIS B 72 -9.084 -1.579 -3.715 1.00 0.00 N ATOM 1158 CD2 HIS B 72 -8.284 -3.506 -4.358 1.00 0.00 C ATOM 1159 CE1 HIS B 72 -10.031 -2.188 -4.403 1.00 0.00 C ATOM 1160 NE2 HIS B 72 -9.572 -3.356 -4.804 1.00 0.00 N ATOM 0 H HIS B 72 -7.852 -1.066 -0.964 1.00 0.00 H new ATOM 0 HA HIS B 72 -6.933 -3.685 -1.627 1.00 0.00 H new ATOM 0 HB2 HIS B 72 -6.664 -0.926 -2.843 1.00 0.00 H new ATOM 0 HB3 HIS B 72 -5.850 -2.315 -3.536 1.00 0.00 H new ATOM 0 HD1 HIS B 72 -9.165 -0.657 -3.287 1.00 0.00 H new ATOM 0 HD2 HIS B 72 -7.642 -4.358 -4.528 1.00 0.00 H new ATOM 0 HE1 HIS B 72 -11.017 -1.795 -4.604 1.00 0.00 H new ATOM 1169 N LEU B 73 -4.818 -1.611 -0.306 1.00 0.00 N ATOM 1170 CA LEU B 73 -3.496 -1.532 0.295 1.00 0.00 C ATOM 1171 C LEU B 73 -3.376 -2.526 1.452 1.00 0.00 C ATOM 1172 O LEU B 73 -2.333 -3.145 1.645 1.00 0.00 O ATOM 1173 CB LEU B 73 -3.217 -0.106 0.780 1.00 0.00 C ATOM 1174 CG LEU B 73 -3.150 0.960 -0.317 1.00 0.00 C ATOM 1175 CD1 LEU B 73 -2.909 2.335 0.289 1.00 0.00 C ATOM 1176 CD2 LEU B 73 -2.063 0.629 -1.327 1.00 0.00 C ATOM 0 H LEU B 73 -5.425 -0.818 -0.098 1.00 0.00 H new ATOM 0 HA LEU B 73 -2.754 -1.792 -0.460 1.00 0.00 H new ATOM 0 HB2 LEU B 73 -3.994 0.176 1.490 1.00 0.00 H new ATOM 0 HB3 LEU B 73 -2.272 -0.104 1.323 1.00 0.00 H new ATOM 0 HG LEU B 73 -4.108 0.972 -0.837 1.00 0.00 H new ATOM 0 HD11 LEU B 73 -2.864 3.080 -0.505 1.00 0.00 H new ATOM 0 HD12 LEU B 73 -3.723 2.580 0.971 1.00 0.00 H new ATOM 0 HD13 LEU B 73 -1.966 2.331 0.836 1.00 0.00 H new ATOM 0 HD21 LEU B 73 -2.034 1.400 -2.097 1.00 0.00 H new ATOM 0 HD22 LEU B 73 -1.098 0.585 -0.822 1.00 0.00 H new ATOM 0 HD23 LEU B 73 -2.276 -0.336 -1.788 1.00 0.00 H new ATOM 1188 N ALA B 74 -4.453 -2.689 2.212 1.00 0.00 N ATOM 1189 CA ALA B 74 -4.475 -3.658 3.302 1.00 0.00 C ATOM 1190 C ALA B 74 -4.378 -5.076 2.756 1.00 0.00 C ATOM 1191 O ALA B 74 -3.818 -5.965 3.400 1.00 0.00 O ATOM 1192 CB ALA B 74 -5.731 -3.495 4.141 1.00 0.00 C ATOM 0 H ALA B 74 -5.320 -2.165 2.094 1.00 0.00 H new ATOM 0 HA ALA B 74 -3.612 -3.474 3.941 1.00 0.00 H new ATOM 0 HB1 ALA B 74 -5.727 -4.228 4.948 1.00 0.00 H new ATOM 0 HB2 ALA B 74 -5.759 -2.490 4.563 1.00 0.00 H new ATOM 0 HB3 ALA B 74 -6.610 -3.650 3.515 1.00 0.00 H new ATOM 1198 N LYS B 75 -4.917 -5.274 1.559 1.00 0.00 N ATOM 1199 CA LYS B 75 -4.834 -6.561 0.883 1.00 0.00 C ATOM 1200 C LYS B 75 -3.382 -6.968 0.674 1.00 0.00 C ATOM 1201 O LYS B 75 -3.022 -8.128 0.874 1.00 0.00 O ATOM 1202 CB LYS B 75 -5.550 -6.512 -0.470 1.00 0.00 C ATOM 1203 CG LYS B 75 -7.059 -6.348 -0.373 1.00 0.00 C ATOM 1204 CD LYS B 75 -7.724 -7.549 0.288 1.00 0.00 C ATOM 1205 CE LYS B 75 -7.478 -8.829 -0.491 1.00 0.00 C ATOM 1206 NZ LYS B 75 -8.208 -9.986 0.092 1.00 0.00 N1+ ATOM 0 H LYS B 75 -5.418 -4.556 1.036 1.00 0.00 H new ATOM 0 HA LYS B 75 -5.323 -7.300 1.517 1.00 0.00 H new ATOM 0 HB2 LYS B 75 -5.143 -5.686 -1.054 1.00 0.00 H new ATOM 0 HB3 LYS B 75 -5.330 -7.428 -1.018 1.00 0.00 H new ATOM 0 HG2 LYS B 75 -7.290 -5.447 0.196 1.00 0.00 H new ATOM 0 HG3 LYS B 75 -7.473 -6.209 -1.372 1.00 0.00 H new ATOM 0 HD2 LYS B 75 -7.343 -7.662 1.303 1.00 0.00 H new ATOM 0 HD3 LYS B 75 -8.797 -7.372 0.368 1.00 0.00 H new ATOM 0 HE2 LYS B 75 -7.789 -8.689 -1.526 1.00 0.00 H new ATOM 0 HE3 LYS B 75 -6.410 -9.045 -0.506 1.00 0.00 H new ATOM 0 HZ1 LYS B 75 -8.012 -10.839 -0.470 1.00 0.00 H new ATOM 0 HZ2 LYS B 75 -7.893 -10.137 1.072 1.00 0.00 H new ATOM 0 HZ3 LYS B 75 -9.230 -9.792 0.083 1.00 0.00 H new ATOM 1220 N VAL B 76 -2.547 -6.009 0.285 1.00 0.00 N ATOM 1221 CA VAL B 76 -1.144 -6.300 0.035 1.00 0.00 C ATOM 1222 C VAL B 76 -0.376 -6.368 1.350 1.00 0.00 C ATOM 1223 O VAL B 76 0.562 -7.147 1.484 1.00 0.00 O ATOM 1224 CB VAL B 76 -0.485 -5.279 -0.929 1.00 0.00 C ATOM 1225 CG1 VAL B 76 -1.391 -5.006 -2.115 1.00 0.00 C ATOM 1226 CG2 VAL B 76 -0.119 -3.981 -0.228 1.00 0.00 C ATOM 0 H VAL B 76 -2.815 -5.036 0.138 1.00 0.00 H new ATOM 0 HA VAL B 76 -1.101 -7.271 -0.458 1.00 0.00 H new ATOM 0 HB VAL B 76 0.443 -5.725 -1.287 1.00 0.00 H new ATOM 0 HG11 VAL B 76 -0.913 -4.288 -2.781 1.00 0.00 H new ATOM 0 HG12 VAL B 76 -1.574 -5.935 -2.655 1.00 0.00 H new ATOM 0 HG13 VAL B 76 -2.339 -4.599 -1.763 1.00 0.00 H new ATOM 0 HG21 VAL B 76 0.339 -3.298 -0.943 1.00 0.00 H new ATOM 0 HG22 VAL B 76 -1.018 -3.524 0.185 1.00 0.00 H new ATOM 0 HG23 VAL B 76 0.585 -4.189 0.578 1.00 0.00 H new ATOM 1236 N TYR B 77 -0.803 -5.572 2.329 1.00 0.00 N ATOM 1237 CA TYR B 77 -0.197 -5.588 3.656 1.00 0.00 C ATOM 1238 C TYR B 77 -0.250 -6.993 4.248 1.00 0.00 C ATOM 1239 O TYR B 77 0.715 -7.463 4.860 1.00 0.00 O ATOM 1240 CB TYR B 77 -0.911 -4.590 4.576 1.00 0.00 C ATOM 1241 CG TYR B 77 -0.472 -4.654 6.023 1.00 0.00 C ATOM 1242 CD1 TYR B 77 0.872 -4.729 6.362 1.00 0.00 C ATOM 1243 CD2 TYR B 77 -1.406 -4.635 7.051 1.00 0.00 C ATOM 1244 CE1 TYR B 77 1.274 -4.786 7.681 1.00 0.00 C ATOM 1245 CE2 TYR B 77 -1.012 -4.691 8.374 1.00 0.00 C ATOM 1246 CZ TYR B 77 0.328 -4.767 8.684 1.00 0.00 C ATOM 1247 OH TYR B 77 0.726 -4.822 10.001 1.00 0.00 O ATOM 0 H TYR B 77 -1.569 -4.906 2.226 1.00 0.00 H new ATOM 0 HA TYR B 77 0.848 -5.292 3.567 1.00 0.00 H new ATOM 0 HB2 TYR B 77 -0.740 -3.581 4.201 1.00 0.00 H new ATOM 0 HB3 TYR B 77 -1.985 -4.771 4.526 1.00 0.00 H new ATOM 0 HD1 TYR B 77 1.616 -4.743 5.580 1.00 0.00 H new ATOM 0 HD2 TYR B 77 -2.458 -4.575 6.812 1.00 0.00 H new ATOM 0 HE1 TYR B 77 2.324 -4.845 7.926 1.00 0.00 H new ATOM 0 HE2 TYR B 77 -1.751 -4.675 9.161 1.00 0.00 H new ATOM 0 HH TYR B 77 -0.063 -4.798 10.582 1.00 0.00 H new ATOM 1257 N ARG B 78 -1.376 -7.664 4.044 1.00 0.00 N ATOM 1258 CA ARG B 78 -1.541 -9.031 4.505 1.00 0.00 C ATOM 1259 C ARG B 78 -0.546 -9.950 3.807 1.00 0.00 C ATOM 1260 O ARG B 78 -0.010 -10.876 4.411 1.00 0.00 O ATOM 1261 CB ARG B 78 -2.963 -9.512 4.262 1.00 0.00 C ATOM 1262 CG ARG B 78 -3.996 -8.687 5.001 1.00 0.00 C ATOM 1263 CD ARG B 78 -5.260 -9.479 5.243 1.00 0.00 C ATOM 1264 NE ARG B 78 -5.022 -10.633 6.109 1.00 0.00 N ATOM 1265 CZ ARG B 78 -5.979 -11.448 6.552 1.00 0.00 C ATOM 1266 NH1 ARG B 78 -7.252 -11.224 6.239 1.00 0.00 N1+ ATOM 1267 NH2 ARG B 78 -5.663 -12.482 7.323 1.00 0.00 N ATOM 0 H ARG B 78 -2.189 -7.281 3.561 1.00 0.00 H new ATOM 0 HA ARG B 78 -1.348 -9.056 5.577 1.00 0.00 H new ATOM 0 HB2 ARG B 78 -3.175 -9.479 3.193 1.00 0.00 H new ATOM 0 HB3 ARG B 78 -3.047 -10.554 4.572 1.00 0.00 H new ATOM 0 HG2 ARG B 78 -3.585 -8.354 5.954 1.00 0.00 H new ATOM 0 HG3 ARG B 78 -4.230 -7.792 4.425 1.00 0.00 H new ATOM 0 HD2 ARG B 78 -6.012 -8.833 5.697 1.00 0.00 H new ATOM 0 HD3 ARG B 78 -5.664 -9.818 4.289 1.00 0.00 H new ATOM 0 HE ARG B 78 -4.061 -10.827 6.392 1.00 0.00 H new ATOM 0 HH11 ARG B 78 -7.501 -10.425 5.657 1.00 0.00 H new ATOM 0 HH12 ARG B 78 -7.979 -11.852 6.581 1.00 0.00 H new ATOM 0 HH21 ARG B 78 -4.689 -12.651 7.575 1.00 0.00 H new ATOM 0 HH22 ARG B 78 -6.394 -13.107 7.663 1.00 0.00 H new ATOM 1281 N ILE B 79 -0.281 -9.655 2.540 1.00 0.00 N ATOM 1282 CA ILE B 79 0.644 -10.439 1.735 1.00 0.00 C ATOM 1283 C ILE B 79 2.064 -10.349 2.285 1.00 0.00 C ATOM 1284 O ILE B 79 2.716 -11.369 2.483 1.00 0.00 O ATOM 1285 CB ILE B 79 0.643 -9.973 0.264 1.00 0.00 C ATOM 1286 CG1 ILE B 79 -0.754 -10.120 -0.337 1.00 0.00 C ATOM 1287 CG2 ILE B 79 1.661 -10.760 -0.551 1.00 0.00 C ATOM 1288 CD1 ILE B 79 -0.850 -9.626 -1.762 1.00 0.00 C ATOM 0 H ILE B 79 -0.700 -8.868 2.044 1.00 0.00 H new ATOM 0 HA ILE B 79 0.305 -11.474 1.781 1.00 0.00 H new ATOM 0 HB ILE B 79 0.925 -8.921 0.235 1.00 0.00 H new ATOM 0 HG12 ILE B 79 -1.047 -11.169 -0.304 1.00 0.00 H new ATOM 0 HG13 ILE B 79 -1.466 -9.570 0.279 1.00 0.00 H new ATOM 0 HG21 ILE B 79 1.644 -10.416 -1.585 1.00 0.00 H new ATOM 0 HG22 ILE B 79 2.657 -10.608 -0.134 1.00 0.00 H new ATOM 0 HG23 ILE B 79 1.412 -11.821 -0.518 1.00 0.00 H new ATOM 0 HD11 ILE B 79 -1.869 -9.760 -2.126 1.00 0.00 H new ATOM 0 HD12 ILE B 79 -0.588 -8.569 -1.799 1.00 0.00 H new ATOM 0 HD13 ILE B 79 -0.163 -10.192 -2.390 1.00 0.00 H new ATOM 1300 N LEU B 80 2.530 -9.126 2.549 1.00 0.00 N ATOM 1301 CA LEU B 80 3.889 -8.916 3.056 1.00 0.00 C ATOM 1302 C LEU B 80 4.099 -9.608 4.398 1.00 0.00 C ATOM 1303 O LEU B 80 5.234 -9.867 4.800 1.00 0.00 O ATOM 1304 CB LEU B 80 4.224 -7.421 3.203 1.00 0.00 C ATOM 1305 CG LEU B 80 4.564 -6.669 1.908 1.00 0.00 C ATOM 1306 CD1 LEU B 80 5.427 -7.520 0.994 1.00 0.00 C ATOM 1307 CD2 LEU B 80 3.307 -6.205 1.199 1.00 0.00 C ATOM 0 H LEU B 80 1.990 -8.270 2.421 1.00 0.00 H new ATOM 0 HA LEU B 80 4.560 -9.355 2.317 1.00 0.00 H new ATOM 0 HB2 LEU B 80 3.375 -6.925 3.674 1.00 0.00 H new ATOM 0 HB3 LEU B 80 5.068 -7.325 3.886 1.00 0.00 H new ATOM 0 HG LEU B 80 5.138 -5.783 2.178 1.00 0.00 H new ATOM 0 HD11 LEU B 80 5.653 -6.963 0.085 1.00 0.00 H new ATOM 0 HD12 LEU B 80 6.356 -7.774 1.504 1.00 0.00 H new ATOM 0 HD13 LEU B 80 4.892 -8.434 0.736 1.00 0.00 H new ATOM 0 HD21 LEU B 80 3.579 -5.676 0.286 1.00 0.00 H new ATOM 0 HD22 LEU B 80 2.691 -7.068 0.948 1.00 0.00 H new ATOM 0 HD23 LEU B 80 2.746 -5.537 1.852 1.00 0.00 H new ATOM 1319 N SER B 81 3.011 -9.900 5.091 1.00 0.00 N ATOM 1320 CA SER B 81 3.094 -10.581 6.368 1.00 0.00 C ATOM 1321 C SER B 81 2.978 -12.090 6.168 1.00 0.00 C ATOM 1322 O SER B 81 3.820 -12.859 6.643 1.00 0.00 O ATOM 1323 CB SER B 81 1.983 -10.082 7.291 1.00 0.00 C ATOM 1324 OG SER B 81 1.951 -8.663 7.324 1.00 0.00 O ATOM 0 H SER B 81 2.063 -9.676 4.790 1.00 0.00 H new ATOM 0 HA SER B 81 4.059 -10.365 6.826 1.00 0.00 H new ATOM 0 HB2 SER B 81 1.021 -10.464 6.948 1.00 0.00 H new ATOM 0 HB3 SER B 81 2.139 -10.470 8.298 1.00 0.00 H new ATOM 0 HG SER B 81 1.527 -8.326 6.507 1.00 0.00 H new ATOM 1509 N LEU B 96 9.730 -13.254 -0.841 1.00 0.00 N ATOM 1510 CA LEU B 96 8.790 -13.963 -1.695 1.00 0.00 C ATOM 1511 C LEU B 96 7.436 -13.272 -1.614 1.00 0.00 C ATOM 1512 O LEU B 96 6.690 -13.214 -2.591 1.00 0.00 O ATOM 1513 CB LEU B 96 8.701 -15.452 -1.300 1.00 0.00 C ATOM 1514 CG LEU B 96 7.567 -15.860 -0.346 1.00 0.00 C ATOM 1515 CD1 LEU B 96 6.269 -16.106 -1.107 1.00 0.00 C ATOM 1516 CD2 LEU B 96 7.957 -17.102 0.432 1.00 0.00 C ATOM 0 HA LEU B 96 9.137 -13.936 -2.728 1.00 0.00 H new ATOM 0 HB2 LEU B 96 8.601 -16.038 -2.213 1.00 0.00 H new ATOM 0 HB3 LEU B 96 9.648 -15.737 -0.841 1.00 0.00 H new ATOM 0 HG LEU B 96 7.402 -15.039 0.351 1.00 0.00 H new ATOM 0 HD11 LEU B 96 5.485 -16.393 -0.406 1.00 0.00 H new ATOM 0 HD12 LEU B 96 5.974 -15.195 -1.628 1.00 0.00 H new ATOM 0 HD13 LEU B 96 6.418 -16.906 -1.832 1.00 0.00 H new ATOM 0 HD21 LEU B 96 7.145 -17.380 1.104 1.00 0.00 H new ATOM 0 HD22 LEU B 96 8.150 -17.920 -0.262 1.00 0.00 H new ATOM 0 HD23 LEU B 96 8.856 -16.899 1.014 1.00 0.00 H new ATOM 1528 N GLN B 97 7.140 -12.719 -0.444 1.00 0.00 N ATOM 1529 CA GLN B 97 5.891 -12.010 -0.237 1.00 0.00 C ATOM 1530 C GLN B 97 5.914 -10.682 -0.980 1.00 0.00 C ATOM 1531 O GLN B 97 4.876 -10.204 -1.432 1.00 0.00 O ATOM 1532 CB GLN B 97 5.627 -11.789 1.258 1.00 0.00 C ATOM 1533 CG GLN B 97 5.627 -13.068 2.094 1.00 0.00 C ATOM 1534 CD GLN B 97 4.357 -13.904 1.965 1.00 0.00 C ATOM 1535 OE1 GLN B 97 3.983 -14.627 2.889 1.00 0.00 O ATOM 1536 NE2 GLN B 97 3.672 -13.804 0.839 1.00 0.00 N ATOM 0 H GLN B 97 7.750 -12.750 0.373 1.00 0.00 H new ATOM 0 HA GLN B 97 5.079 -12.619 -0.634 1.00 0.00 H new ATOM 0 HB2 GLN B 97 6.385 -11.112 1.652 1.00 0.00 H new ATOM 0 HB3 GLN B 97 4.664 -11.293 1.375 1.00 0.00 H new ATOM 0 HG2 GLN B 97 6.481 -13.679 1.802 1.00 0.00 H new ATOM 0 HG3 GLN B 97 5.768 -12.803 3.142 1.00 0.00 H new ATOM 0 HE21 GLN B 97 4.007 -13.197 0.091 1.00 0.00 H new ATOM 0 HE22 GLN B 97 2.809 -14.334 0.718 1.00 0.00 H new ATOM 1545 N LYS B 98 7.106 -10.099 -1.111 1.00 0.00 N ATOM 1546 CA LYS B 98 7.282 -8.895 -1.916 1.00 0.00 C ATOM 1547 C LYS B 98 6.792 -9.135 -3.338 1.00 0.00 C ATOM 1548 O LYS B 98 6.119 -8.290 -3.918 1.00 0.00 O ATOM 1549 CB LYS B 98 8.751 -8.444 -1.946 1.00 0.00 C ATOM 1550 CG LYS B 98 9.094 -7.349 -0.942 1.00 0.00 C ATOM 1551 CD LYS B 98 9.149 -7.877 0.480 1.00 0.00 C ATOM 1552 CE LYS B 98 9.308 -6.757 1.494 1.00 0.00 C ATOM 1553 NZ LYS B 98 10.565 -5.988 1.299 1.00 0.00 N1+ ATOM 0 H LYS B 98 7.960 -10.441 -0.671 1.00 0.00 H new ATOM 0 HA LYS B 98 6.692 -8.103 -1.455 1.00 0.00 H new ATOM 0 HB2 LYS B 98 9.388 -9.308 -1.755 1.00 0.00 H new ATOM 0 HB3 LYS B 98 8.989 -8.088 -2.949 1.00 0.00 H new ATOM 0 HG2 LYS B 98 10.056 -6.907 -1.202 1.00 0.00 H new ATOM 0 HG3 LYS B 98 8.351 -6.554 -1.005 1.00 0.00 H new ATOM 0 HD2 LYS B 98 8.238 -8.435 0.696 1.00 0.00 H new ATOM 0 HD3 LYS B 98 9.981 -8.575 0.576 1.00 0.00 H new ATOM 0 HE2 LYS B 98 8.457 -6.080 1.420 1.00 0.00 H new ATOM 0 HE3 LYS B 98 9.295 -7.177 2.500 1.00 0.00 H new ATOM 0 HZ1 LYS B 98 10.549 -5.138 1.898 1.00 0.00 H new ATOM 0 HZ2 LYS B 98 11.379 -6.581 1.561 1.00 0.00 H new ATOM 0 HZ3 LYS B 98 10.648 -5.706 0.301 1.00 0.00 H new ATOM 1567 N GLU B 99 7.111 -10.306 -3.881 1.00 0.00 N ATOM 1568 CA GLU B 99 6.706 -10.654 -5.237 1.00 0.00 C ATOM 1569 C GLU B 99 5.185 -10.639 -5.352 1.00 0.00 C ATOM 1570 O GLU B 99 4.619 -9.905 -6.162 1.00 0.00 O ATOM 1571 CB GLU B 99 7.234 -12.038 -5.615 1.00 0.00 C ATOM 1572 CG GLU B 99 7.248 -12.302 -7.110 1.00 0.00 C ATOM 1573 CD GLU B 99 8.140 -11.336 -7.859 1.00 0.00 C ATOM 1574 OE1 GLU B 99 9.365 -11.576 -7.922 1.00 0.00 O1- ATOM 1575 OE2 GLU B 99 7.622 -10.326 -8.379 1.00 0.00 O ATOM 0 H GLU B 99 7.648 -11.029 -3.402 1.00 0.00 H new ATOM 0 HA GLU B 99 7.126 -9.916 -5.920 1.00 0.00 H new ATOM 0 HB2 GLU B 99 8.246 -12.149 -5.227 1.00 0.00 H new ATOM 0 HB3 GLU B 99 6.621 -12.796 -5.127 1.00 0.00 H new ATOM 0 HG2 GLU B 99 7.587 -13.322 -7.293 1.00 0.00 H new ATOM 0 HG3 GLU B 99 6.232 -12.230 -7.498 1.00 0.00 H new ATOM 1582 N LEU B 100 4.530 -11.434 -4.511 1.00 0.00 N ATOM 1583 CA LEU B 100 3.073 -11.549 -4.533 1.00 0.00 C ATOM 1584 C LEU B 100 2.406 -10.207 -4.248 1.00 0.00 C ATOM 1585 O LEU B 100 1.319 -9.929 -4.751 1.00 0.00 O ATOM 1586 CB LEU B 100 2.591 -12.595 -3.520 1.00 0.00 C ATOM 1587 CG LEU B 100 2.699 -14.065 -3.957 1.00 0.00 C ATOM 1588 CD1 LEU B 100 1.897 -14.309 -5.226 1.00 0.00 C ATOM 1589 CD2 LEU B 100 4.150 -14.477 -4.159 1.00 0.00 C ATOM 0 H LEU B 100 4.986 -12.010 -3.803 1.00 0.00 H new ATOM 0 HA LEU B 100 2.788 -11.870 -5.535 1.00 0.00 H new ATOM 0 HB2 LEU B 100 3.161 -12.469 -2.600 1.00 0.00 H new ATOM 0 HB3 LEU B 100 1.549 -12.385 -3.280 1.00 0.00 H new ATOM 0 HG LEU B 100 2.283 -14.679 -3.158 1.00 0.00 H new ATOM 0 HD11 LEU B 100 1.987 -15.355 -5.518 1.00 0.00 H new ATOM 0 HD12 LEU B 100 0.849 -14.072 -5.045 1.00 0.00 H new ATOM 0 HD13 LEU B 100 2.280 -13.675 -6.026 1.00 0.00 H new ATOM 0 HD21 LEU B 100 4.192 -15.522 -4.468 1.00 0.00 H new ATOM 0 HD22 LEU B 100 4.602 -13.852 -4.930 1.00 0.00 H new ATOM 0 HD23 LEU B 100 4.697 -14.352 -3.224 1.00 0.00 H new ATOM 1601 N ALA B 101 3.062 -9.379 -3.447 1.00 0.00 N ATOM 1602 CA ALA B 101 2.550 -8.052 -3.144 1.00 0.00 C ATOM 1603 C ALA B 101 2.575 -7.168 -4.391 1.00 0.00 C ATOM 1604 O ALA B 101 1.586 -6.510 -4.710 1.00 0.00 O ATOM 1605 CB ALA B 101 3.346 -7.422 -2.009 1.00 0.00 C ATOM 0 H ALA B 101 3.949 -9.603 -2.996 1.00 0.00 H new ATOM 0 HA ALA B 101 1.513 -8.144 -2.820 1.00 0.00 H new ATOM 0 HB1 ALA B 101 2.950 -6.429 -1.794 1.00 0.00 H new ATOM 0 HB2 ALA B 101 3.265 -8.045 -1.118 1.00 0.00 H new ATOM 0 HB3 ALA B 101 4.393 -7.340 -2.301 1.00 0.00 H new ATOM 1611 N VAL B 102 3.697 -7.188 -5.112 1.00 0.00 N ATOM 1612 CA VAL B 102 3.839 -6.411 -6.346 1.00 0.00 C ATOM 1613 C VAL B 102 2.797 -6.842 -7.376 1.00 0.00 C ATOM 1614 O VAL B 102 2.331 -6.040 -8.190 1.00 0.00 O ATOM 1615 CB VAL B 102 5.256 -6.564 -6.956 1.00 0.00 C ATOM 1616 CG1 VAL B 102 5.375 -5.808 -8.272 1.00 0.00 C ATOM 1617 CG2 VAL B 102 6.314 -6.082 -5.979 1.00 0.00 C ATOM 0 H VAL B 102 4.522 -7.734 -4.863 1.00 0.00 H new ATOM 0 HA VAL B 102 3.684 -5.364 -6.087 1.00 0.00 H new ATOM 0 HB VAL B 102 5.418 -7.623 -7.156 1.00 0.00 H new ATOM 0 HG11 VAL B 102 6.380 -5.935 -8.675 1.00 0.00 H new ATOM 0 HG12 VAL B 102 4.647 -6.199 -8.983 1.00 0.00 H new ATOM 0 HG13 VAL B 102 5.183 -4.749 -8.102 1.00 0.00 H new ATOM 0 HG21 VAL B 102 7.301 -6.198 -6.426 1.00 0.00 H new ATOM 0 HG22 VAL B 102 6.142 -5.031 -5.746 1.00 0.00 H new ATOM 0 HG23 VAL B 102 6.259 -6.671 -5.063 1.00 0.00 H new ATOM 1627 N ASN B 103 2.422 -8.113 -7.318 1.00 0.00 N ATOM 1628 CA ASN B 103 1.409 -8.660 -8.212 1.00 0.00 C ATOM 1629 C ASN B 103 0.060 -7.974 -8.006 1.00 0.00 C ATOM 1630 O ASN B 103 -0.720 -7.825 -8.945 1.00 0.00 O ATOM 1631 CB ASN B 103 1.273 -10.171 -8.005 1.00 0.00 C ATOM 1632 CG ASN B 103 2.300 -10.970 -8.788 1.00 0.00 C ATOM 1633 OD1 ASN B 103 2.057 -11.355 -9.932 1.00 0.00 O ATOM 1634 ND2 ASN B 103 3.451 -11.227 -8.185 1.00 0.00 N ATOM 0 H ASN B 103 2.807 -8.788 -6.657 1.00 0.00 H new ATOM 0 HA ASN B 103 1.730 -8.472 -9.236 1.00 0.00 H new ATOM 0 HB2 ASN B 103 1.376 -10.398 -6.944 1.00 0.00 H new ATOM 0 HB3 ASN B 103 0.272 -10.485 -8.303 1.00 0.00 H new ATOM 0 HD21 ASN B 103 4.173 -11.761 -8.670 1.00 0.00 H new ATOM 0 HD22 ASN B 103 3.616 -10.891 -7.236 1.00 0.00 H new ATOM 1641 N TYR B 104 -0.203 -7.531 -6.779 1.00 0.00 N ATOM 1642 CA TYR B 104 -1.451 -6.848 -6.470 1.00 0.00 C ATOM 1643 C TYR B 104 -1.384 -5.390 -6.901 1.00 0.00 C ATOM 1644 O TYR B 104 -2.337 -4.864 -7.471 1.00 0.00 O ATOM 1645 CB TYR B 104 -1.776 -6.946 -4.977 1.00 0.00 C ATOM 1646 CG TYR B 104 -2.577 -8.175 -4.597 1.00 0.00 C ATOM 1647 CD1 TYR B 104 -2.222 -9.437 -5.056 1.00 0.00 C ATOM 1648 CD2 TYR B 104 -3.695 -8.066 -3.777 1.00 0.00 C ATOM 1649 CE1 TYR B 104 -2.957 -10.554 -4.710 1.00 0.00 C ATOM 1650 CE2 TYR B 104 -4.435 -9.179 -3.424 1.00 0.00 C ATOM 1651 CZ TYR B 104 -4.060 -10.421 -3.893 1.00 0.00 C ATOM 1652 OH TYR B 104 -4.793 -11.535 -3.550 1.00 0.00 O ATOM 0 H TYR B 104 0.431 -7.634 -5.986 1.00 0.00 H new ATOM 0 HA TYR B 104 -2.249 -7.340 -7.026 1.00 0.00 H new ATOM 0 HB2 TYR B 104 -0.844 -6.944 -4.412 1.00 0.00 H new ATOM 0 HB3 TYR B 104 -2.331 -6.057 -4.678 1.00 0.00 H new ATOM 0 HD1 TYR B 104 -1.357 -9.547 -5.694 1.00 0.00 H new ATOM 0 HD2 TYR B 104 -3.990 -7.094 -3.409 1.00 0.00 H new ATOM 0 HE1 TYR B 104 -2.669 -11.528 -5.078 1.00 0.00 H new ATOM 0 HE2 TYR B 104 -5.300 -9.077 -2.786 1.00 0.00 H new ATOM 0 HH TYR B 104 -5.537 -11.271 -2.969 1.00 0.00 H new ATOM 1662 N LEU B 105 -0.249 -4.745 -6.654 1.00 0.00 N ATOM 1663 CA LEU B 105 -0.057 -3.358 -7.080 1.00 0.00 C ATOM 1664 C LEU B 105 -0.150 -3.253 -8.597 1.00 0.00 C ATOM 1665 O LEU B 105 -0.583 -2.236 -9.136 1.00 0.00 O ATOM 1666 CB LEU B 105 1.289 -2.797 -6.598 1.00 0.00 C ATOM 1667 CG LEU B 105 1.341 -2.341 -5.132 1.00 0.00 C ATOM 1668 CD1 LEU B 105 0.210 -1.374 -4.827 1.00 0.00 C ATOM 1669 CD2 LEU B 105 1.290 -3.527 -4.187 1.00 0.00 C ATOM 0 H LEU B 105 0.548 -5.154 -6.165 1.00 0.00 H new ATOM 0 HA LEU B 105 -0.850 -2.763 -6.627 1.00 0.00 H new ATOM 0 HB2 LEU B 105 2.053 -3.560 -6.748 1.00 0.00 H new ATOM 0 HB3 LEU B 105 1.555 -1.951 -7.231 1.00 0.00 H new ATOM 0 HG LEU B 105 2.289 -1.825 -4.979 1.00 0.00 H new ATOM 0 HD11 LEU B 105 0.267 -1.065 -3.783 1.00 0.00 H new ATOM 0 HD12 LEU B 105 0.297 -0.498 -5.470 1.00 0.00 H new ATOM 0 HD13 LEU B 105 -0.747 -1.864 -5.008 1.00 0.00 H new ATOM 0 HD21 LEU B 105 1.328 -3.173 -3.157 1.00 0.00 H new ATOM 0 HD22 LEU B 105 0.364 -4.080 -4.347 1.00 0.00 H new ATOM 0 HD23 LEU B 105 2.141 -4.181 -4.378 1.00 0.00 H new ATOM 1681 N ASN B 106 0.236 -4.323 -9.279 1.00 0.00 N ATOM 1682 CA ASN B 106 0.153 -4.378 -10.732 1.00 0.00 C ATOM 1683 C ASN B 106 -1.293 -4.415 -11.207 1.00 0.00 C ATOM 1684 O ASN B 106 -1.597 -3.985 -12.318 1.00 0.00 O ATOM 1685 CB ASN B 106 0.906 -5.588 -11.276 1.00 0.00 C ATOM 1686 CG ASN B 106 2.269 -5.217 -11.816 1.00 0.00 C ATOM 1687 OD1 ASN B 106 2.405 -4.860 -12.987 1.00 0.00 O ATOM 1688 ND2 ASN B 106 3.284 -5.297 -10.976 1.00 0.00 N ATOM 0 H ASN B 106 0.611 -5.168 -8.847 1.00 0.00 H new ATOM 0 HA ASN B 106 0.618 -3.470 -11.115 1.00 0.00 H new ATOM 0 HB2 ASN B 106 1.020 -6.329 -10.485 1.00 0.00 H new ATOM 0 HB3 ASN B 106 0.318 -6.054 -12.067 1.00 0.00 H new ATOM 0 HD21 ASN B 106 4.225 -5.058 -11.289 1.00 0.00 H new ATOM 0 HD22 ASN B 106 3.127 -5.597 -10.014 1.00 0.00 H new ATOM 1695 N THR B 107 -2.184 -4.932 -10.372 1.00 0.00 N ATOM 1696 CA THR B 107 -3.598 -4.959 -10.714 1.00 0.00 C ATOM 1697 C THR B 107 -4.284 -3.682 -10.240 1.00 0.00 C ATOM 1698 O THR B 107 -5.457 -3.448 -10.537 1.00 0.00 O ATOM 1699 CB THR B 107 -4.320 -6.192 -10.122 1.00 0.00 C ATOM 1700 OG1 THR B 107 -4.245 -6.194 -8.690 1.00 0.00 O ATOM 1701 CG2 THR B 107 -3.723 -7.482 -10.666 1.00 0.00 C ATOM 0 H THR B 107 -1.956 -5.334 -9.463 1.00 0.00 H new ATOM 0 HA THR B 107 -3.663 -5.028 -11.800 1.00 0.00 H new ATOM 0 HB THR B 107 -5.367 -6.133 -10.419 1.00 0.00 H new ATOM 0 HG1 THR B 107 -3.683 -5.449 -8.391 1.00 0.00 H new ATOM 0 HG21 THR B 107 -4.247 -8.335 -10.235 1.00 0.00 H new ATOM 0 HG22 THR B 107 -3.827 -7.502 -11.751 1.00 0.00 H new ATOM 0 HG23 THR B 107 -2.667 -7.534 -10.402 1.00 0.00 H new ATOM 1709 N LEU B 108 -3.535 -2.858 -9.508 1.00 0.00 N ATOM 1710 CA LEU B 108 -4.050 -1.594 -9.000 1.00 0.00 C ATOM 1711 C LEU B 108 -3.514 -0.426 -9.819 1.00 0.00 C ATOM 1712 O LEU B 108 -3.875 0.728 -9.587 1.00 0.00 O ATOM 1713 CB LEU B 108 -3.687 -1.407 -7.528 1.00 0.00 C ATOM 1714 CG LEU B 108 -4.206 -2.488 -6.582 1.00 0.00 C ATOM 1715 CD1 LEU B 108 -3.803 -2.184 -5.148 1.00 0.00 C ATOM 1716 CD2 LEU B 108 -5.719 -2.622 -6.697 1.00 0.00 C ATOM 0 H LEU B 108 -2.565 -3.048 -9.254 1.00 0.00 H new ATOM 0 HA LEU B 108 -5.136 -1.618 -9.089 1.00 0.00 H new ATOM 0 HB2 LEU B 108 -2.601 -1.364 -7.442 1.00 0.00 H new ATOM 0 HB3 LEU B 108 -4.072 -0.443 -7.196 1.00 0.00 H new ATOM 0 HG LEU B 108 -3.756 -3.438 -6.870 1.00 0.00 H new ATOM 0 HD11 LEU B 108 -4.182 -2.966 -4.490 1.00 0.00 H new ATOM 0 HD12 LEU B 108 -2.716 -2.145 -5.076 1.00 0.00 H new ATOM 0 HD13 LEU B 108 -4.221 -1.223 -4.848 1.00 0.00 H new ATOM 0 HD21 LEU B 108 -6.068 -3.397 -6.015 1.00 0.00 H new ATOM 0 HD22 LEU B 108 -6.189 -1.673 -6.439 1.00 0.00 H new ATOM 0 HD23 LEU B 108 -5.984 -2.892 -7.719 1.00 0.00 H new ATOM 1728 N ARG B 109 -2.654 -0.737 -10.775 1.00 0.00 N ATOM 1729 CA ARG B 109 -2.141 0.259 -11.701 1.00 0.00 C ATOM 1730 C ARG B 109 -2.968 0.222 -12.984 1.00 0.00 C ATOM 1731 O ARG B 109 -3.651 -0.770 -13.246 1.00 0.00 O ATOM 1732 CB ARG B 109 -0.650 -0.004 -11.979 1.00 0.00 C ATOM 1733 CG ARG B 109 -0.022 0.945 -12.989 1.00 0.00 C ATOM 1734 CD ARG B 109 1.497 0.874 -12.960 1.00 0.00 C ATOM 1735 NE ARG B 109 2.054 1.524 -11.772 1.00 0.00 N ATOM 1736 CZ ARG B 109 3.339 1.457 -11.413 1.00 0.00 C ATOM 1737 NH1 ARG B 109 4.202 0.758 -12.137 1.00 0.00 N1+ ATOM 1738 NH2 ARG B 109 3.765 2.094 -10.331 1.00 0.00 N ATOM 0 H ARG B 109 -2.294 -1.679 -10.930 1.00 0.00 H new ATOM 0 HA ARG B 109 -2.225 1.255 -11.267 1.00 0.00 H new ATOM 0 HB2 ARG B 109 -0.100 0.067 -11.041 1.00 0.00 H new ATOM 0 HB3 ARG B 109 -0.535 -1.026 -12.339 1.00 0.00 H new ATOM 0 HG2 ARG B 109 -0.379 0.699 -13.989 1.00 0.00 H new ATOM 0 HG3 ARG B 109 -0.343 1.965 -12.778 1.00 0.00 H new ATOM 0 HD2 ARG B 109 1.812 -0.169 -12.983 1.00 0.00 H new ATOM 0 HD3 ARG B 109 1.899 1.348 -13.855 1.00 0.00 H new ATOM 0 HE ARG B 109 1.421 2.062 -11.181 1.00 0.00 H new ATOM 0 HH11 ARG B 109 3.886 0.267 -12.974 1.00 0.00 H new ATOM 0 HH12 ARG B 109 5.182 0.711 -11.857 1.00 0.00 H new ATOM 0 HH21 ARG B 109 3.111 2.638 -9.769 1.00 0.00 H new ATOM 0 HH22 ARG B 109 4.747 2.040 -10.061 1.00 0.00 H new ATOM 1752 N TYR B 110 -2.933 1.308 -13.756 1.00 0.00 N ATOM 1753 CA TYR B 110 -3.707 1.413 -14.994 1.00 0.00 C ATOM 1754 C TYR B 110 -3.533 0.178 -15.873 1.00 0.00 C ATOM 1755 O TYR B 110 -2.410 -0.260 -16.143 1.00 0.00 O ATOM 1756 CB TYR B 110 -3.296 2.667 -15.769 1.00 0.00 C ATOM 1757 CG TYR B 110 -3.987 2.817 -17.108 1.00 0.00 C ATOM 1758 CD1 TYR B 110 -5.358 3.027 -17.186 1.00 0.00 C ATOM 1759 CD2 TYR B 110 -3.266 2.754 -18.292 1.00 0.00 C ATOM 1760 CE1 TYR B 110 -5.989 3.170 -18.406 1.00 0.00 C ATOM 1761 CE2 TYR B 110 -3.890 2.895 -19.515 1.00 0.00 C ATOM 1762 CZ TYR B 110 -5.251 3.102 -19.568 1.00 0.00 C ATOM 1763 OH TYR B 110 -5.873 3.247 -20.787 1.00 0.00 O ATOM 0 H TYR B 110 -2.373 2.133 -13.544 1.00 0.00 H new ATOM 0 HA TYR B 110 -4.760 1.484 -14.721 1.00 0.00 H new ATOM 0 HB2 TYR B 110 -3.511 3.545 -15.160 1.00 0.00 H new ATOM 0 HB3 TYR B 110 -2.218 2.646 -15.928 1.00 0.00 H new ATOM 0 HD1 TYR B 110 -5.940 3.079 -16.278 1.00 0.00 H new ATOM 0 HD2 TYR B 110 -2.199 2.592 -18.256 1.00 0.00 H new ATOM 0 HE1 TYR B 110 -7.056 3.334 -18.449 1.00 0.00 H new ATOM 0 HE2 TYR B 110 -3.314 2.843 -20.427 1.00 0.00 H new ATOM 0 HH TYR B 110 -5.209 3.174 -21.504 1.00 0.00 H new ATOM 1773 N GLY B 111 -4.653 -0.370 -16.319 1.00 0.00 N ATOM 1774 CA GLY B 111 -4.628 -1.569 -17.126 1.00 0.00 C ATOM 1775 C GLY B 111 -4.812 -2.817 -16.292 1.00 0.00 C ATOM 1776 O GLY B 111 -4.628 -3.931 -16.780 1.00 0.00 O ATOM 0 H GLY B 111 -5.586 -0.001 -16.134 1.00 0.00 H new ATOM 0 HA2 GLY B 111 -5.415 -1.516 -17.878 1.00 0.00 H new ATOM 0 HA3 GLY B 111 -3.680 -1.627 -17.660 1.00 0.00 H new ATOM 1780 N GLY B 112 -5.170 -2.630 -15.029 1.00 0.00 N ATOM 1781 CA GLY B 112 -5.389 -3.752 -14.148 1.00 0.00 C ATOM 1782 C GLY B 112 -6.798 -4.295 -14.251 1.00 0.00 C ATOM 1783 O GLY B 112 -7.441 -4.192 -15.299 1.00 0.00 O ATOM 0 H GLY B 112 -5.312 -1.715 -14.600 1.00 0.00 H new ATOM 0 HA2 GLY B 112 -4.678 -4.543 -14.387 1.00 0.00 H new ATOM 0 HA3 GLY B 112 -5.193 -3.448 -13.120 1.00 0.00 H new ATOM 1787 N ILE B 113 -7.282 -4.865 -13.162 1.00 0.00 N ATOM 1788 CA ILE B 113 -8.604 -5.477 -13.147 1.00 0.00 C ATOM 1789 C ILE B 113 -9.544 -4.746 -12.200 1.00 0.00 C ATOM 1790 O ILE B 113 -10.716 -4.554 -12.506 1.00 0.00 O ATOM 1791 CB ILE B 113 -8.534 -6.970 -12.760 1.00 0.00 C ATOM 1792 CG1 ILE B 113 -7.651 -7.166 -11.524 1.00 0.00 C ATOM 1793 CG2 ILE B 113 -8.015 -7.789 -13.930 1.00 0.00 C ATOM 1794 CD1 ILE B 113 -7.555 -8.603 -11.061 1.00 0.00 C ATOM 0 H ILE B 113 -6.781 -4.918 -12.275 1.00 0.00 H new ATOM 0 HA ILE B 113 -8.997 -5.399 -14.161 1.00 0.00 H new ATOM 0 HB ILE B 113 -9.538 -7.315 -12.514 1.00 0.00 H new ATOM 0 HG12 ILE B 113 -6.649 -6.798 -11.743 1.00 0.00 H new ATOM 0 HG13 ILE B 113 -8.043 -6.557 -10.709 1.00 0.00 H new ATOM 0 HG21 ILE B 113 -7.970 -8.840 -13.646 1.00 0.00 H new ATOM 0 HG22 ILE B 113 -8.685 -7.672 -14.782 1.00 0.00 H new ATOM 0 HG23 ILE B 113 -7.018 -7.443 -14.202 1.00 0.00 H new ATOM 0 HD11 ILE B 113 -6.913 -8.660 -10.182 1.00 0.00 H new ATOM 0 HD12 ILE B 113 -8.549 -8.971 -10.808 1.00 0.00 H new ATOM 0 HD13 ILE B 113 -7.133 -9.215 -11.859 1.00 0.00 H new ATOM 1806 N HIS B 114 -9.030 -4.350 -11.045 1.00 0.00 N ATOM 1807 CA HIS B 114 -9.821 -3.613 -10.071 1.00 0.00 C ATOM 1808 C HIS B 114 -9.015 -2.424 -9.571 1.00 0.00 C ATOM 1809 O HIS B 114 -8.996 -2.131 -8.375 1.00 0.00 O ATOM 1810 CB HIS B 114 -10.208 -4.509 -8.882 1.00 0.00 C ATOM 1811 CG HIS B 114 -10.813 -5.824 -9.267 1.00 0.00 C ATOM 1812 ND1 HIS B 114 -10.287 -7.036 -8.869 1.00 0.00 N ATOM 1813 CD2 HIS B 114 -11.905 -6.119 -10.013 1.00 0.00 C ATOM 1814 CE1 HIS B 114 -11.028 -8.015 -9.353 1.00 0.00 C ATOM 1815 NE2 HIS B 114 -12.015 -7.485 -10.048 1.00 0.00 N ATOM 0 H HIS B 114 -8.067 -4.527 -10.759 1.00 0.00 H new ATOM 0 HA HIS B 114 -10.737 -3.271 -10.553 1.00 0.00 H new ATOM 0 HB2 HIS B 114 -9.319 -4.695 -8.279 1.00 0.00 H new ATOM 0 HB3 HIS B 114 -10.914 -3.969 -8.251 1.00 0.00 H new ATOM 0 HD2 HIS B 114 -12.565 -5.410 -10.491 1.00 0.00 H new ATOM 0 HE1 HIS B 114 -10.855 -9.071 -9.205 1.00 0.00 H new ATOM 0 HE2 HIS B 114 -12.744 -8.008 -10.534 1.00 0.00 H new ATOM 1824 N TYR B 115 -8.345 -1.744 -10.493 1.00 0.00 N ATOM 1825 CA TYR B 115 -7.409 -0.699 -10.118 1.00 0.00 C ATOM 1826 C TYR B 115 -8.131 0.561 -9.663 1.00 0.00 C ATOM 1827 O TYR B 115 -9.258 0.834 -10.077 1.00 0.00 O ATOM 1828 CB TYR B 115 -6.422 -0.405 -11.259 1.00 0.00 C ATOM 1829 CG TYR B 115 -6.862 0.634 -12.263 1.00 0.00 C ATOM 1830 CD1 TYR B 115 -6.604 1.981 -12.047 1.00 0.00 C ATOM 1831 CD2 TYR B 115 -7.505 0.270 -13.436 1.00 0.00 C ATOM 1832 CE1 TYR B 115 -6.981 2.935 -12.962 1.00 0.00 C ATOM 1833 CE2 TYR B 115 -7.883 1.221 -14.362 1.00 0.00 C ATOM 1834 CZ TYR B 115 -7.619 2.553 -14.120 1.00 0.00 C ATOM 1835 OH TYR B 115 -7.984 3.507 -15.042 1.00 0.00 O ATOM 0 H TYR B 115 -8.433 -1.898 -11.498 1.00 0.00 H new ATOM 0 HA TYR B 115 -6.831 -1.062 -9.268 1.00 0.00 H new ATOM 0 HB2 TYR B 115 -5.477 -0.082 -10.822 1.00 0.00 H new ATOM 0 HB3 TYR B 115 -6.225 -1.336 -11.791 1.00 0.00 H new ATOM 0 HD1 TYR B 115 -6.097 2.285 -11.143 1.00 0.00 H new ATOM 0 HD2 TYR B 115 -7.713 -0.772 -13.628 1.00 0.00 H new ATOM 0 HE1 TYR B 115 -6.778 3.979 -12.773 1.00 0.00 H new ATOM 0 HE2 TYR B 115 -8.383 0.924 -15.272 1.00 0.00 H new ATOM 0 HH TYR B 115 -8.423 3.074 -15.804 1.00 0.00 H new ATOM 1845 N ASN B 116 -7.480 1.307 -8.789 1.00 0.00 N ATOM 1846 CA ASN B 116 -8.049 2.525 -8.234 1.00 0.00 C ATOM 1847 C ASN B 116 -7.273 3.728 -8.715 1.00 0.00 C ATOM 1848 O ASN B 116 -6.042 3.723 -8.745 1.00 0.00 O ATOM 1849 CB ASN B 116 -8.024 2.486 -6.705 1.00 0.00 C ATOM 1850 CG ASN B 116 -8.870 1.373 -6.112 1.00 0.00 C ATOM 1851 OD1 ASN B 116 -8.563 0.854 -5.039 1.00 0.00 O ATOM 1852 ND2 ASN B 116 -9.938 0.999 -6.799 1.00 0.00 N ATOM 0 H ASN B 116 -6.545 1.088 -8.444 1.00 0.00 H new ATOM 0 HA ASN B 116 -9.083 2.599 -8.570 1.00 0.00 H new ATOM 0 HB2 ASN B 116 -6.994 2.366 -6.370 1.00 0.00 H new ATOM 0 HB3 ASN B 116 -8.375 3.443 -6.320 1.00 0.00 H new ATOM 0 HD21 ASN B 116 -10.539 0.256 -6.442 1.00 0.00 H new ATOM 0 HD22 ASN B 116 -10.159 1.453 -7.685 1.00 0.00 H new ATOM 1859 N GLU B 117 -8.016 4.758 -9.080 1.00 0.00 N ATOM 1860 CA GLU B 117 -7.451 6.011 -9.549 1.00 0.00 C ATOM 1861 C GLU B 117 -6.582 6.649 -8.470 1.00 0.00 C ATOM 1862 O GLU B 117 -5.618 7.354 -8.772 1.00 0.00 O ATOM 1863 CB GLU B 117 -8.569 6.977 -9.967 1.00 0.00 C ATOM 1864 CG GLU B 117 -9.534 7.356 -8.844 1.00 0.00 C ATOM 1865 CD GLU B 117 -10.424 6.216 -8.398 1.00 0.00 C ATOM 1866 OE1 GLU B 117 -11.459 5.967 -9.049 1.00 0.00 O1- ATOM 1867 OE2 GLU B 117 -10.081 5.555 -7.396 1.00 0.00 O ATOM 0 H GLU B 117 -9.036 4.748 -9.059 1.00 0.00 H new ATOM 0 HA GLU B 117 -6.825 5.800 -10.416 1.00 0.00 H new ATOM 0 HB2 GLU B 117 -8.117 7.887 -10.362 1.00 0.00 H new ATOM 0 HB3 GLU B 117 -9.137 6.525 -10.780 1.00 0.00 H new ATOM 0 HG2 GLU B 117 -8.960 7.714 -7.989 1.00 0.00 H new ATOM 0 HG3 GLU B 117 -10.159 8.184 -9.178 1.00 0.00 H new ATOM 1874 N ALA B 118 -6.926 6.389 -7.213 1.00 0.00 N ATOM 1875 CA ALA B 118 -6.163 6.913 -6.092 1.00 0.00 C ATOM 1876 C ALA B 118 -4.886 6.110 -5.888 1.00 0.00 C ATOM 1877 O ALA B 118 -3.825 6.680 -5.673 1.00 0.00 O ATOM 1878 CB ALA B 118 -7.002 6.913 -4.829 1.00 0.00 C ATOM 0 H ALA B 118 -7.729 5.818 -6.948 1.00 0.00 H new ATOM 0 HA ALA B 118 -5.886 7.942 -6.319 1.00 0.00 H new ATOM 0 HB1 ALA B 118 -6.413 7.309 -4.001 1.00 0.00 H new ATOM 0 HB2 ALA B 118 -7.884 7.536 -4.978 1.00 0.00 H new ATOM 0 HB3 ALA B 118 -7.313 5.894 -4.599 1.00 0.00 H new ATOM 1884 N ILE B 119 -4.993 4.784 -5.955 1.00 0.00 N ATOM 1885 CA ILE B 119 -3.822 3.909 -5.855 1.00 0.00 C ATOM 1886 C ILE B 119 -2.833 4.205 -6.982 1.00 0.00 C ATOM 1887 O ILE B 119 -1.614 4.162 -6.787 1.00 0.00 O ATOM 1888 CB ILE B 119 -4.218 2.413 -5.901 1.00 0.00 C ATOM 1889 CG1 ILE B 119 -5.177 2.078 -4.754 1.00 0.00 C ATOM 1890 CG2 ILE B 119 -2.979 1.524 -5.830 1.00 0.00 C ATOM 1891 CD1 ILE B 119 -4.567 2.229 -3.381 1.00 0.00 C ATOM 0 H ILE B 119 -5.877 4.291 -6.078 1.00 0.00 H new ATOM 0 HA ILE B 119 -3.352 4.111 -4.893 1.00 0.00 H new ATOM 0 HB ILE B 119 -4.725 2.223 -6.847 1.00 0.00 H new ATOM 0 HG12 ILE B 119 -6.052 2.724 -4.825 1.00 0.00 H new ATOM 0 HG13 ILE B 119 -5.527 1.053 -4.874 1.00 0.00 H new ATOM 0 HG21 ILE B 119 -3.280 0.477 -5.864 1.00 0.00 H new ATOM 0 HG22 ILE B 119 -2.326 1.741 -6.675 1.00 0.00 H new ATOM 0 HG23 ILE B 119 -2.445 1.718 -4.900 1.00 0.00 H new ATOM 0 HD11 ILE B 119 -5.308 1.974 -2.624 1.00 0.00 H new ATOM 0 HD12 ILE B 119 -3.709 1.563 -3.289 1.00 0.00 H new ATOM 0 HD13 ILE B 119 -4.242 3.260 -3.238 1.00 0.00 H new ATOM 1903 N GLU B 120 -3.372 4.518 -8.155 1.00 0.00 N ATOM 1904 CA GLU B 120 -2.563 4.890 -9.310 1.00 0.00 C ATOM 1905 C GLU B 120 -1.700 6.110 -8.996 1.00 0.00 C ATOM 1906 O GLU B 120 -0.534 6.168 -9.382 1.00 0.00 O ATOM 1907 CB GLU B 120 -3.478 5.170 -10.505 1.00 0.00 C ATOM 1908 CG GLU B 120 -2.745 5.574 -11.773 1.00 0.00 C ATOM 1909 CD GLU B 120 -3.698 5.909 -12.902 1.00 0.00 C ATOM 1910 OE1 GLU B 120 -4.388 6.946 -12.815 1.00 0.00 O ATOM 1911 OE2 GLU B 120 -3.763 5.143 -13.884 1.00 0.00 O1- ATOM 0 H GLU B 120 -4.377 4.521 -8.332 1.00 0.00 H new ATOM 0 HA GLU B 120 -1.896 4.064 -9.557 1.00 0.00 H new ATOM 0 HB2 GLU B 120 -4.071 4.279 -10.710 1.00 0.00 H new ATOM 0 HB3 GLU B 120 -4.176 5.962 -10.235 1.00 0.00 H new ATOM 0 HG2 GLU B 120 -2.112 6.437 -11.566 1.00 0.00 H new ATOM 0 HG3 GLU B 120 -2.086 4.763 -12.084 1.00 0.00 H new ATOM 1918 N GLU B 121 -2.270 7.071 -8.280 1.00 0.00 N ATOM 1919 CA GLU B 121 -1.527 8.257 -7.873 1.00 0.00 C ATOM 1920 C GLU B 121 -0.682 7.959 -6.637 1.00 0.00 C ATOM 1921 O GLU B 121 0.437 8.451 -6.513 1.00 0.00 O ATOM 1922 CB GLU B 121 -2.482 9.420 -7.597 1.00 0.00 C ATOM 1923 CG GLU B 121 -3.341 9.792 -8.794 1.00 0.00 C ATOM 1924 CD GLU B 121 -4.168 11.041 -8.565 1.00 0.00 C ATOM 1925 OE1 GLU B 121 -3.664 12.147 -8.847 1.00 0.00 O1- ATOM 1926 OE2 GLU B 121 -5.330 10.927 -8.120 1.00 0.00 O ATOM 0 H GLU B 121 -3.242 7.053 -7.970 1.00 0.00 H new ATOM 0 HA GLU B 121 -0.862 8.542 -8.688 1.00 0.00 H new ATOM 0 HB2 GLU B 121 -3.131 9.157 -6.761 1.00 0.00 H new ATOM 0 HB3 GLU B 121 -1.903 10.291 -7.290 1.00 0.00 H new ATOM 0 HG2 GLU B 121 -2.699 9.942 -9.662 1.00 0.00 H new ATOM 0 HG3 GLU B 121 -4.006 8.961 -9.029 1.00 0.00 H new ATOM 1933 N PHE B 122 -1.229 7.142 -5.736 1.00 0.00 N ATOM 1934 CA PHE B 122 -0.542 6.744 -4.507 1.00 0.00 C ATOM 1935 C PHE B 122 0.861 6.246 -4.800 1.00 0.00 C ATOM 1936 O PHE B 122 1.842 6.813 -4.323 1.00 0.00 O ATOM 1937 CB PHE B 122 -1.331 5.643 -3.786 1.00 0.00 C ATOM 1938 CG PHE B 122 -0.612 5.045 -2.604 1.00 0.00 C ATOM 1939 CD1 PHE B 122 -0.696 5.630 -1.352 1.00 0.00 C ATOM 1940 CD2 PHE B 122 0.154 3.895 -2.748 1.00 0.00 C ATOM 1941 CE1 PHE B 122 -0.032 5.081 -0.270 1.00 0.00 C ATOM 1942 CE2 PHE B 122 0.818 3.345 -1.671 1.00 0.00 C ATOM 1943 CZ PHE B 122 0.725 3.938 -0.430 1.00 0.00 C ATOM 0 H PHE B 122 -2.160 6.738 -5.838 1.00 0.00 H new ATOM 0 HA PHE B 122 -0.475 7.624 -3.867 1.00 0.00 H new ATOM 0 HB2 PHE B 122 -2.283 6.054 -3.449 1.00 0.00 H new ATOM 0 HB3 PHE B 122 -1.560 4.850 -4.498 1.00 0.00 H new ATOM 0 HD1 PHE B 122 -1.286 6.525 -1.219 1.00 0.00 H new ATOM 0 HD2 PHE B 122 0.231 3.425 -3.717 1.00 0.00 H new ATOM 0 HE1 PHE B 122 -0.106 5.547 0.701 1.00 0.00 H new ATOM 0 HE2 PHE B 122 1.410 2.451 -1.800 1.00 0.00 H new ATOM 0 HZ PHE B 122 1.243 3.509 0.415 1.00 0.00 H new ATOM 1953 N CYS B 123 0.943 5.184 -5.592 1.00 0.00 N ATOM 1954 CA CYS B 123 2.217 4.569 -5.909 1.00 0.00 C ATOM 1955 C CYS B 123 3.168 5.589 -6.516 1.00 0.00 C ATOM 1956 O CYS B 123 4.325 5.675 -6.114 1.00 0.00 O ATOM 1957 CB CYS B 123 2.018 3.376 -6.849 1.00 0.00 C ATOM 1958 SG CYS B 123 0.989 3.723 -8.292 1.00 0.00 S ATOM 0 H CYS B 123 0.137 4.733 -6.025 1.00 0.00 H new ATOM 0 HA CYS B 123 2.663 4.201 -4.985 1.00 0.00 H new ATOM 0 HB2 CYS B 123 2.994 3.031 -7.189 1.00 0.00 H new ATOM 0 HB3 CYS B 123 1.569 2.557 -6.287 1.00 0.00 H new ATOM 0 HG CYS B 123 -0.232 3.955 -7.909 1.00 0.00 H new ATOM 1964 N GLN B 124 2.658 6.398 -7.437 1.00 0.00 N ATOM 1965 CA GLN B 124 3.487 7.369 -8.141 1.00 0.00 C ATOM 1966 C GLN B 124 4.035 8.436 -7.197 1.00 0.00 C ATOM 1967 O GLN B 124 5.238 8.661 -7.154 1.00 0.00 O ATOM 1968 CB GLN B 124 2.705 8.026 -9.280 1.00 0.00 C ATOM 1969 CG GLN B 124 2.314 7.058 -10.387 1.00 0.00 C ATOM 1970 CD GLN B 124 3.499 6.294 -10.951 1.00 0.00 C ATOM 1971 OE1 GLN B 124 4.631 6.776 -10.946 1.00 0.00 O ATOM 1972 NE2 GLN B 124 3.242 5.096 -11.453 1.00 0.00 N ATOM 0 H GLN B 124 1.676 6.401 -7.713 1.00 0.00 H new ATOM 0 HA GLN B 124 4.334 6.826 -8.560 1.00 0.00 H new ATOM 0 HB2 GLN B 124 1.803 8.484 -8.874 1.00 0.00 H new ATOM 0 HB3 GLN B 124 3.306 8.829 -9.706 1.00 0.00 H new ATOM 0 HG2 GLN B 124 1.582 6.349 -10.001 1.00 0.00 H new ATOM 0 HG3 GLN B 124 1.829 7.611 -11.191 1.00 0.00 H new ATOM 0 HE21 GLN B 124 2.290 4.731 -11.439 1.00 0.00 H new ATOM 0 HE22 GLN B 124 3.996 4.539 -11.854 1.00 0.00 H new ATOM 1981 N ILE B 125 3.154 9.081 -6.438 1.00 0.00 N ATOM 1982 CA ILE B 125 3.558 10.149 -5.520 1.00 0.00 C ATOM 1983 C ILE B 125 4.513 9.623 -4.450 1.00 0.00 C ATOM 1984 O ILE B 125 5.509 10.264 -4.113 1.00 0.00 O ATOM 1985 CB ILE B 125 2.326 10.781 -4.835 1.00 0.00 C ATOM 1986 CG1 ILE B 125 1.383 11.367 -5.887 1.00 0.00 C ATOM 1987 CG2 ILE B 125 2.746 11.859 -3.837 1.00 0.00 C ATOM 1988 CD1 ILE B 125 0.022 11.728 -5.341 1.00 0.00 C ATOM 0 H ILE B 125 2.153 8.885 -6.438 1.00 0.00 H new ATOM 0 HA ILE B 125 4.070 10.908 -6.111 1.00 0.00 H new ATOM 0 HB ILE B 125 1.802 9.999 -4.285 1.00 0.00 H new ATOM 0 HG12 ILE B 125 1.841 12.257 -6.318 1.00 0.00 H new ATOM 0 HG13 ILE B 125 1.262 10.647 -6.696 1.00 0.00 H new ATOM 0 HG21 ILE B 125 1.859 12.287 -3.369 1.00 0.00 H new ATOM 0 HG22 ILE B 125 3.383 11.417 -3.071 1.00 0.00 H new ATOM 0 HG23 ILE B 125 3.296 12.643 -4.358 1.00 0.00 H new ATOM 0 HD11 ILE B 125 -0.594 12.137 -6.141 1.00 0.00 H new ATOM 0 HD12 ILE B 125 -0.456 10.836 -4.935 1.00 0.00 H new ATOM 0 HD13 ILE B 125 0.132 12.471 -4.551 1.00 0.00 H new ATOM 2000 N LEU B 126 4.207 8.441 -3.945 1.00 0.00 N ATOM 2001 CA LEU B 126 4.970 7.837 -2.866 1.00 0.00 C ATOM 2002 C LEU B 126 6.358 7.410 -3.340 1.00 0.00 C ATOM 2003 O LEU B 126 7.375 7.870 -2.813 1.00 0.00 O ATOM 2004 CB LEU B 126 4.187 6.641 -2.326 1.00 0.00 C ATOM 2005 CG LEU B 126 4.721 5.992 -1.056 1.00 0.00 C ATOM 2006 CD1 LEU B 126 5.604 4.809 -1.379 1.00 0.00 C ATOM 2007 CD2 LEU B 126 5.459 7.006 -0.193 1.00 0.00 C ATOM 0 H LEU B 126 3.424 7.873 -4.270 1.00 0.00 H new ATOM 0 HA LEU B 126 5.116 8.570 -2.073 1.00 0.00 H new ATOM 0 HB2 LEU B 126 3.162 6.961 -2.140 1.00 0.00 H new ATOM 0 HB3 LEU B 126 4.146 5.881 -3.106 1.00 0.00 H new ATOM 0 HG LEU B 126 3.868 5.625 -0.485 1.00 0.00 H new ATOM 0 HD11 LEU B 126 5.971 4.365 -0.453 1.00 0.00 H new ATOM 0 HD12 LEU B 126 5.030 4.067 -1.934 1.00 0.00 H new ATOM 0 HD13 LEU B 126 6.449 5.140 -1.983 1.00 0.00 H new ATOM 0 HD21 LEU B 126 5.830 6.516 0.707 1.00 0.00 H new ATOM 0 HD22 LEU B 126 6.298 7.419 -0.753 1.00 0.00 H new ATOM 0 HD23 LEU B 126 4.778 7.810 0.086 1.00 0.00 H new ATOM 2019 N LEU B 127 6.393 6.533 -4.336 1.00 0.00 N ATOM 2020 CA LEU B 127 7.660 6.014 -4.852 1.00 0.00 C ATOM 2021 C LEU B 127 8.530 7.157 -5.368 1.00 0.00 C ATOM 2022 O LEU B 127 9.759 7.082 -5.324 1.00 0.00 O ATOM 2023 CB LEU B 127 7.429 4.966 -5.965 1.00 0.00 C ATOM 2024 CG LEU B 127 7.166 5.510 -7.382 1.00 0.00 C ATOM 2025 CD1 LEU B 127 8.473 5.738 -8.134 1.00 0.00 C ATOM 2026 CD2 LEU B 127 6.266 4.566 -8.165 1.00 0.00 C ATOM 0 H LEU B 127 5.564 6.166 -4.803 1.00 0.00 H new ATOM 0 HA LEU B 127 8.178 5.518 -4.031 1.00 0.00 H new ATOM 0 HB2 LEU B 127 8.303 4.315 -6.007 1.00 0.00 H new ATOM 0 HB3 LEU B 127 6.582 4.344 -5.676 1.00 0.00 H new ATOM 0 HG LEU B 127 6.658 6.469 -7.280 1.00 0.00 H new ATOM 0 HD11 LEU B 127 8.257 6.122 -9.131 1.00 0.00 H new ATOM 0 HD12 LEU B 127 9.084 6.460 -7.592 1.00 0.00 H new ATOM 0 HD13 LEU B 127 9.014 4.795 -8.218 1.00 0.00 H new ATOM 0 HD21 LEU B 127 6.094 4.971 -9.162 1.00 0.00 H new ATOM 0 HD22 LEU B 127 6.745 3.591 -8.247 1.00 0.00 H new ATOM 0 HD23 LEU B 127 5.313 4.459 -7.647 1.00 0.00 H new ATOM 2038 N ASP B 128 7.878 8.208 -5.848 1.00 0.00 N ATOM 2039 CA ASP B 128 8.559 9.371 -6.401 1.00 0.00 C ATOM 2040 C ASP B 128 9.537 9.953 -5.393 1.00 0.00 C ATOM 2041 O ASP B 128 10.725 10.099 -5.673 1.00 0.00 O ATOM 2042 CB ASP B 128 7.531 10.430 -6.788 1.00 0.00 C ATOM 2043 CG ASP B 128 8.125 11.568 -7.591 1.00 0.00 C ATOM 2044 OD1 ASP B 128 8.288 11.414 -8.821 1.00 0.00 O1- ATOM 2045 OD2 ASP B 128 8.419 12.625 -7.000 1.00 0.00 O ATOM 0 H ASP B 128 6.861 8.278 -5.865 1.00 0.00 H new ATOM 0 HA ASP B 128 9.116 9.059 -7.284 1.00 0.00 H new ATOM 0 HB2 ASP B 128 6.735 9.961 -7.367 1.00 0.00 H new ATOM 0 HB3 ASP B 128 7.073 10.831 -5.884 1.00 0.00 H new ATOM 2050 N LYS B 129 9.031 10.248 -4.206 1.00 0.00 N ATOM 2051 CA LYS B 129 9.844 10.836 -3.155 1.00 0.00 C ATOM 2052 C LYS B 129 10.831 9.812 -2.599 1.00 0.00 C ATOM 2053 O LYS B 129 11.965 10.148 -2.260 1.00 0.00 O ATOM 2054 CB LYS B 129 8.950 11.371 -2.039 1.00 0.00 C ATOM 2055 CG LYS B 129 7.943 12.412 -2.502 1.00 0.00 C ATOM 2056 CD LYS B 129 8.631 13.647 -3.060 1.00 0.00 C ATOM 2057 CE LYS B 129 7.625 14.680 -3.538 1.00 0.00 C ATOM 2058 NZ LYS B 129 6.772 15.188 -2.429 1.00 0.00 N1+ ATOM 0 H LYS B 129 8.057 10.089 -3.946 1.00 0.00 H new ATOM 0 HA LYS B 129 10.413 11.663 -3.579 1.00 0.00 H new ATOM 0 HB2 LYS B 129 8.414 10.538 -1.585 1.00 0.00 H new ATOM 0 HB3 LYS B 129 9.577 11.807 -1.262 1.00 0.00 H new ATOM 0 HG2 LYS B 129 7.296 11.979 -3.265 1.00 0.00 H new ATOM 0 HG3 LYS B 129 7.304 12.697 -1.667 1.00 0.00 H new ATOM 0 HD2 LYS B 129 9.268 14.087 -2.293 1.00 0.00 H new ATOM 0 HD3 LYS B 129 9.280 13.360 -3.888 1.00 0.00 H new ATOM 0 HE2 LYS B 129 8.154 15.514 -3.999 1.00 0.00 H new ATOM 0 HE3 LYS B 129 6.992 14.239 -4.308 1.00 0.00 H new ATOM 0 HZ1 LYS B 129 6.246 16.026 -2.751 1.00 0.00 H new ATOM 0 HZ2 LYS B 129 6.101 14.448 -2.140 1.00 0.00 H new ATOM 0 HZ3 LYS B 129 7.372 15.446 -1.620 1.00 0.00 H new ATOM 2072 N LEU B 130 10.404 8.557 -2.535 1.00 0.00 N ATOM 2073 CA LEU B 130 11.249 7.488 -2.009 1.00 0.00 C ATOM 2074 C LEU B 130 12.397 7.156 -2.957 1.00 0.00 C ATOM 2075 O LEU B 130 13.353 6.481 -2.571 1.00 0.00 O ATOM 2076 CB LEU B 130 10.420 6.236 -1.713 1.00 0.00 C ATOM 2077 CG LEU B 130 9.555 6.321 -0.453 1.00 0.00 C ATOM 2078 CD1 LEU B 130 8.680 5.089 -0.318 1.00 0.00 C ATOM 2079 CD2 LEU B 130 10.429 6.473 0.781 1.00 0.00 C ATOM 0 H LEU B 130 9.479 8.253 -2.840 1.00 0.00 H new ATOM 0 HA LEU B 130 11.684 7.847 -1.076 1.00 0.00 H new ATOM 0 HB2 LEU B 130 9.774 6.035 -2.567 1.00 0.00 H new ATOM 0 HB3 LEU B 130 11.095 5.385 -1.617 1.00 0.00 H new ATOM 0 HG LEU B 130 8.912 7.197 -0.542 1.00 0.00 H new ATOM 0 HD11 LEU B 130 8.074 5.170 0.584 1.00 0.00 H new ATOM 0 HD12 LEU B 130 8.028 5.009 -1.188 1.00 0.00 H new ATOM 0 HD13 LEU B 130 9.309 4.201 -0.253 1.00 0.00 H new ATOM 0 HD21 LEU B 130 9.799 6.532 1.668 1.00 0.00 H new ATOM 0 HD22 LEU B 130 11.093 5.613 0.864 1.00 0.00 H new ATOM 0 HD23 LEU B 130 11.023 7.383 0.697 1.00 0.00 H new ATOM 2091 N ASN B 131 12.303 7.602 -4.200 1.00 0.00 N ATOM 2092 CA ASN B 131 13.419 7.472 -5.129 1.00 0.00 C ATOM 2093 C ASN B 131 14.148 8.797 -5.299 1.00 0.00 C ATOM 2094 O ASN B 131 15.280 8.833 -5.776 1.00 0.00 O ATOM 2095 CB ASN B 131 12.955 6.942 -6.485 1.00 0.00 C ATOM 2096 CG ASN B 131 12.676 5.454 -6.453 1.00 0.00 C ATOM 2097 OD1 ASN B 131 13.570 4.640 -6.672 1.00 0.00 O ATOM 2098 ND2 ASN B 131 11.436 5.090 -6.175 1.00 0.00 N ATOM 0 H ASN B 131 11.475 8.053 -4.588 1.00 0.00 H new ATOM 0 HA ASN B 131 14.115 6.749 -4.702 1.00 0.00 H new ATOM 0 HB2 ASN B 131 12.053 7.472 -6.791 1.00 0.00 H new ATOM 0 HB3 ASN B 131 13.718 7.151 -7.235 1.00 0.00 H new ATOM 0 HD21 ASN B 131 11.192 4.100 -6.136 1.00 0.00 H new ATOM 0 HD22 ASN B 131 10.724 5.799 -5.999 1.00 0.00 H new ATOM 2105 N ALA B 132 13.514 9.880 -4.875 1.00 0.00 N ATOM 2106 CA ALA B 132 14.116 11.206 -4.973 1.00 0.00 C ATOM 2107 C ALA B 132 15.067 11.452 -3.814 1.00 0.00 C ATOM 2108 O ALA B 132 15.727 12.489 -3.735 1.00 0.00 O ATOM 2109 CB ALA B 132 13.043 12.282 -5.021 1.00 0.00 C ATOM 0 H ALA B 132 12.583 9.869 -4.459 1.00 0.00 H new ATOM 0 HA ALA B 132 14.688 11.251 -5.900 1.00 0.00 H new ATOM 0 HB1 ALA B 132 13.514 13.262 -5.094 1.00 0.00 H new ATOM 0 HB2 ALA B 132 12.404 12.121 -5.890 1.00 0.00 H new ATOM 0 HB3 ALA B 132 12.440 12.236 -4.114 1.00 0.00 H new