USER MOD reduce.3.24.130724 H: found=0, std=0, add=882, rem=0, adj=22 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 54 TYR OH : rot 30:sc= 0.223 USER MOD Set 1.2: B 61 GLN : amide:sc= -0.823 K(o=-0.6,f=1.2) USER MOD Single : A 9 ASN : amide:sc= -0.525 X(o=-0.53,f=-0.2) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -2.62! K(o=-2.6!,f=-0.43) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.507 X(o=-0.51,f=-0.16) USER MOD Single : A 32 GLN : amide:sc= -1.19 K(o=-1.2,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 44 THR OG1 : rot 180:sc= 0 USER MOD Single : B 46 LYS NZ :NH3+ 167:sc= 1.19 (180deg=1.13) USER MOD Single : B 47 THR OG1 : rot 117:sc= 1.22 USER MOD Single : B 48 LYS NZ :NH3+ 160:sc= 1.17 (180deg=0.902) USER MOD Single : B 55 GLN : amide:sc= -0.671 K(o=-0.67,f=-1.3) USER MOD Single : B 56 ASN : amide:sc= 1.18 K(o=1.2,f=-0.12) USER MOD Single : B 57 SER OG : rot 180:sc= 0 USER MOD Single : B 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 66 TYR OH : rot 180:sc= 0 USER MOD Single : B 67 ASN : amide:sc= 1.09 K(o=1.1,f=-1.3) USER MOD Single : B 68 THR OG1 : rot 180:sc= -0.302 USER MOD Single : B 70 LYS NZ :NH3+ -153:sc= 1.69 (180deg=0.823) USER MOD Single : B 72 HIS : no HE2:sc= 1.07 K(o=1.1,f=-4.8!) 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 180:sc= 0 USER MOD Single : B 97 GLN : amide:sc= -1.36 K(o=-1.4,f=-0.31) USER MOD Single : B 98 LYS NZ :NH3+ -162:sc= 1.25 (180deg=1.12) USER MOD Single : B 103 ASN : amide:sc= 1.68 K(o=1.7,f=-0.037) USER MOD Single : B 104 TYR OH : rot 180:sc= 0 USER MOD Single : B 106 ASN : amide:sc= 0.184 K(o=0.18,f=-6.2!) USER MOD Single : B 107 THR OG1 : rot 5:sc= 1.2 USER MOD Single : B 110 TYR OH : rot 180:sc= 0 USER MOD Single : B 114 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : B 115 TYR OH : rot 85:sc= 0.0948 USER MOD Single : B 116 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 123 CYS SG : rot 70:sc= 0.946 USER MOD Single : B 124 GLN : amide:sc= -0.188 X(o=-0.19,f=-0.18) USER MOD Single : B 129 LYS NZ :NH3+ -163:sc= 1.3 (180deg=1.12) USER MOD Single : B 131 ASN : amide:sc= 1.21 K(o=1.2,f=-0.019) USER MOD ----------------------------------------------------------------- ATOM 103 N GLU A 8 10.350 0.467 -7.342 1.00 0.00 N ATOM 104 CA GLU A 8 9.563 1.336 -6.491 1.00 0.00 C ATOM 105 C GLU A 8 8.639 0.516 -5.601 1.00 0.00 C ATOM 106 O GLU A 8 8.442 0.840 -4.431 1.00 0.00 O ATOM 107 CB GLU A 8 8.734 2.300 -7.343 1.00 0.00 C ATOM 108 CG GLU A 8 7.786 1.593 -8.295 1.00 0.00 C ATOM 109 CD GLU A 8 8.264 1.589 -9.726 1.00 0.00 C ATOM 110 OE1 GLU A 8 8.032 2.583 -10.441 1.00 0.00 O1- ATOM 111 OE2 GLU A 8 8.855 0.580 -10.146 1.00 0.00 O ATOM 0 HA GLU A 8 10.244 1.908 -5.861 1.00 0.00 H new ATOM 0 HB2 GLU A 8 8.159 2.953 -6.686 1.00 0.00 H new ATOM 0 HB3 GLU A 8 9.406 2.938 -7.917 1.00 0.00 H new ATOM 0 HG2 GLU A 8 7.650 0.564 -7.963 1.00 0.00 H new ATOM 0 HG3 GLU A 8 6.809 2.075 -8.248 1.00 0.00 H new ATOM 118 N ASN A 9 8.104 -0.565 -6.160 1.00 0.00 N ATOM 119 CA ASN A 9 7.114 -1.386 -5.472 1.00 0.00 C ATOM 120 C ASN A 9 7.688 -1.928 -4.177 1.00 0.00 C ATOM 121 O ASN A 9 7.014 -1.940 -3.155 1.00 0.00 O ATOM 122 CB ASN A 9 6.651 -2.550 -6.352 1.00 0.00 C ATOM 123 CG ASN A 9 6.252 -2.112 -7.747 1.00 0.00 C ATOM 124 OD1 ASN A 9 5.099 -1.767 -8.001 1.00 0.00 O ATOM 125 ND2 ASN A 9 7.210 -2.131 -8.659 1.00 0.00 N ATOM 0 H ASN A 9 8.342 -0.895 -7.095 1.00 0.00 H new ATOM 0 HA ASN A 9 6.254 -0.754 -5.252 1.00 0.00 H new ATOM 0 HB2 ASN A 9 7.452 -3.286 -6.423 1.00 0.00 H new ATOM 0 HB3 ASN A 9 5.804 -3.045 -5.876 1.00 0.00 H new ATOM 0 HD21 ASN A 9 7.006 -1.852 -9.619 1.00 0.00 H new ATOM 0 HD22 ASN A 9 8.153 -2.425 -8.403 1.00 0.00 H new ATOM 132 N SER A 10 8.948 -2.347 -4.229 1.00 0.00 N ATOM 133 CA SER A 10 9.638 -2.882 -3.063 1.00 0.00 C ATOM 134 C SER A 10 9.604 -1.885 -1.903 1.00 0.00 C ATOM 135 O SER A 10 9.489 -2.272 -0.740 1.00 0.00 O ATOM 136 CB SER A 10 11.083 -3.221 -3.434 1.00 0.00 C ATOM 137 OG SER A 10 11.130 -4.095 -4.552 1.00 0.00 O ATOM 0 H SER A 10 9.516 -2.325 -5.076 1.00 0.00 H new ATOM 0 HA SER A 10 9.128 -3.789 -2.739 1.00 0.00 H new ATOM 0 HB2 SER A 10 11.628 -2.305 -3.661 1.00 0.00 H new ATOM 0 HB3 SER A 10 11.581 -3.686 -2.583 1.00 0.00 H new ATOM 0 HG SER A 10 12.064 -4.296 -4.771 1.00 0.00 H new ATOM 143 N GLN A 11 9.679 -0.601 -2.233 1.00 0.00 N ATOM 144 CA GLN A 11 9.630 0.450 -1.229 1.00 0.00 C ATOM 145 C GLN A 11 8.186 0.702 -0.802 1.00 0.00 C ATOM 146 O GLN A 11 7.896 0.889 0.379 1.00 0.00 O ATOM 147 CB GLN A 11 10.247 1.728 -1.783 1.00 0.00 C ATOM 148 CG GLN A 11 11.577 1.498 -2.486 1.00 0.00 C ATOM 149 CD GLN A 11 12.358 2.775 -2.690 1.00 0.00 C ATOM 150 OE1 GLN A 11 13.085 2.925 -3.670 1.00 0.00 O ATOM 151 NE2 GLN A 11 12.232 3.692 -1.749 1.00 0.00 N ATOM 0 H GLN A 11 9.774 -0.264 -3.191 1.00 0.00 H new ATOM 0 HA GLN A 11 10.201 0.133 -0.357 1.00 0.00 H new ATOM 0 HB2 GLN A 11 9.549 2.187 -2.483 1.00 0.00 H new ATOM 0 HB3 GLN A 11 10.393 2.436 -0.967 1.00 0.00 H new ATOM 0 HG2 GLN A 11 12.176 0.800 -1.901 1.00 0.00 H new ATOM 0 HG3 GLN A 11 11.396 1.030 -3.453 1.00 0.00 H new ATOM 0 HE21 GLN A 11 11.617 3.525 -0.953 1.00 0.00 H new ATOM 0 HE22 GLN A 11 12.750 4.568 -1.818 1.00 0.00 H new ATOM 160 N LEU A 12 7.287 0.694 -1.784 1.00 0.00 N ATOM 161 CA LEU A 12 5.856 0.869 -1.542 1.00 0.00 C ATOM 162 C LEU A 12 5.326 -0.182 -0.571 1.00 0.00 C ATOM 163 O LEU A 12 4.550 0.128 0.330 1.00 0.00 O ATOM 164 CB LEU A 12 5.081 0.773 -2.859 1.00 0.00 C ATOM 165 CG LEU A 12 4.882 2.085 -3.626 1.00 0.00 C ATOM 166 CD1 LEU A 12 6.199 2.805 -3.859 1.00 0.00 C ATOM 167 CD2 LEU A 12 4.201 1.806 -4.951 1.00 0.00 C ATOM 0 H LEU A 12 7.529 0.567 -2.767 1.00 0.00 H new ATOM 0 HA LEU A 12 5.714 1.856 -1.101 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.600 0.071 -3.511 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.100 0.347 -2.649 1.00 0.00 H new ATOM 0 HG LEU A 12 4.252 2.736 -3.020 1.00 0.00 H new ATOM 0 HD11 LEU A 12 6.016 3.730 -4.406 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.662 3.036 -2.900 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.865 2.166 -4.439 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.062 2.742 -5.493 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.820 1.132 -5.544 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.231 1.343 -4.771 1.00 0.00 H new ATOM 179 N LEU A 13 5.764 -1.421 -0.763 1.00 0.00 N ATOM 180 CA LEU A 13 5.280 -2.552 0.022 1.00 0.00 C ATOM 181 C LEU A 13 5.522 -2.352 1.510 1.00 0.00 C ATOM 182 O LEU A 13 4.605 -2.494 2.317 1.00 0.00 O ATOM 183 CB LEU A 13 5.955 -3.841 -0.435 1.00 0.00 C ATOM 184 CG LEU A 13 5.780 -4.175 -1.914 1.00 0.00 C ATOM 185 CD1 LEU A 13 6.468 -5.482 -2.244 1.00 0.00 C ATOM 186 CD2 LEU A 13 4.308 -4.222 -2.288 1.00 0.00 C ATOM 0 H LEU A 13 6.462 -1.670 -1.464 1.00 0.00 H new ATOM 0 HA LEU A 13 4.204 -2.623 -0.140 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.021 -3.771 -0.218 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.563 -4.668 0.157 1.00 0.00 H new ATOM 0 HG LEU A 13 6.247 -3.386 -2.504 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.334 -5.707 -3.302 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.532 -5.399 -2.022 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.034 -6.283 -1.645 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.209 -4.462 -3.347 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.806 -4.986 -1.694 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.852 -3.252 -2.092 1.00 0.00 H new ATOM 198 N ASP A 14 6.754 -2.025 1.877 1.00 0.00 N ATOM 199 CA ASP A 14 7.089 -1.840 3.282 1.00 0.00 C ATOM 200 C ASP A 14 6.479 -0.559 3.824 1.00 0.00 C ATOM 201 O ASP A 14 6.213 -0.458 5.016 1.00 0.00 O ATOM 202 CB ASP A 14 8.600 -1.862 3.512 1.00 0.00 C ATOM 203 CG ASP A 14 9.128 -3.275 3.678 1.00 0.00 C ATOM 204 OD1 ASP A 14 8.880 -3.888 4.744 1.00 0.00 O1- ATOM 205 OD2 ASP A 14 9.777 -3.786 2.748 1.00 0.00 O ATOM 0 H ASP A 14 7.530 -1.884 1.230 1.00 0.00 H new ATOM 0 HA ASP A 14 6.662 -2.680 3.830 1.00 0.00 H new ATOM 0 HB2 ASP A 14 9.102 -1.384 2.671 1.00 0.00 H new ATOM 0 HB3 ASP A 14 8.840 -1.278 4.401 1.00 0.00 H new ATOM 210 N PHE A 15 6.242 0.403 2.944 1.00 0.00 N ATOM 211 CA PHE A 15 5.549 1.633 3.314 1.00 0.00 C ATOM 212 C PHE A 15 4.122 1.308 3.752 1.00 0.00 C ATOM 213 O PHE A 15 3.685 1.697 4.835 1.00 0.00 O ATOM 214 CB PHE A 15 5.542 2.589 2.119 1.00 0.00 C ATOM 215 CG PHE A 15 4.953 3.945 2.393 1.00 0.00 C ATOM 216 CD1 PHE A 15 3.587 4.160 2.290 1.00 0.00 C ATOM 217 CD2 PHE A 15 5.773 5.013 2.719 1.00 0.00 C ATOM 218 CE1 PHE A 15 3.051 5.414 2.502 1.00 0.00 C ATOM 219 CE2 PHE A 15 5.242 6.268 2.941 1.00 0.00 C ATOM 220 CZ PHE A 15 3.880 6.468 2.831 1.00 0.00 C ATOM 0 H PHE A 15 6.520 0.357 1.964 1.00 0.00 H new ATOM 0 HA PHE A 15 6.065 2.112 4.146 1.00 0.00 H new ATOM 0 HB2 PHE A 15 6.567 2.718 1.770 1.00 0.00 H new ATOM 0 HB3 PHE A 15 4.985 2.125 1.305 1.00 0.00 H new ATOM 0 HD1 PHE A 15 2.935 3.336 2.041 1.00 0.00 H new ATOM 0 HD2 PHE A 15 6.839 4.862 2.800 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.986 5.570 2.411 1.00 0.00 H new ATOM 0 HE2 PHE A 15 5.891 7.092 3.200 1.00 0.00 H new ATOM 0 HZ PHE A 15 3.463 7.449 3.002 1.00 0.00 H new ATOM 230 N ILE A 16 3.414 0.576 2.898 1.00 0.00 N ATOM 231 CA ILE A 16 2.062 0.115 3.194 1.00 0.00 C ATOM 232 C ILE A 16 2.069 -0.806 4.412 1.00 0.00 C ATOM 233 O ILE A 16 1.148 -0.793 5.234 1.00 0.00 O ATOM 234 CB ILE A 16 1.469 -0.636 1.981 1.00 0.00 C ATOM 235 CG1 ILE A 16 1.442 0.278 0.752 1.00 0.00 C ATOM 236 CG2 ILE A 16 0.072 -1.148 2.295 1.00 0.00 C ATOM 237 CD1 ILE A 16 1.112 -0.448 -0.533 1.00 0.00 C ATOM 0 H ILE A 16 3.760 0.286 1.983 1.00 0.00 H new ATOM 0 HA ILE A 16 1.444 0.987 3.409 1.00 0.00 H new ATOM 0 HB ILE A 16 2.105 -1.494 1.763 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.708 1.068 0.913 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.413 0.762 0.648 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.326 -1.674 1.427 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.117 -1.831 3.144 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.577 -0.307 2.540 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.110 0.261 -1.361 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.859 -1.220 -0.717 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.128 -0.909 -0.448 1.00 0.00 H new ATOM 249 N ARG A 17 3.125 -1.596 4.520 1.00 0.00 N ATOM 250 CA ARG A 17 3.298 -2.512 5.635 1.00 0.00 C ATOM 251 C ARG A 17 3.417 -1.747 6.952 1.00 0.00 C ATOM 252 O ARG A 17 2.726 -2.055 7.921 1.00 0.00 O ATOM 253 CB ARG A 17 4.537 -3.373 5.395 1.00 0.00 C ATOM 254 CG ARG A 17 4.838 -4.365 6.500 1.00 0.00 C ATOM 255 CD ARG A 17 6.027 -5.230 6.127 1.00 0.00 C ATOM 256 NE ARG A 17 6.481 -6.050 7.243 1.00 0.00 N ATOM 257 CZ ARG A 17 7.751 -6.394 7.452 1.00 0.00 C ATOM 258 NH1 ARG A 17 8.715 -5.942 6.654 1.00 0.00 N1+ ATOM 259 NH2 ARG A 17 8.058 -7.178 8.478 1.00 0.00 N ATOM 0 H ARG A 17 3.884 -1.620 3.839 1.00 0.00 H new ATOM 0 HA ARG A 17 2.422 -3.157 5.706 1.00 0.00 H new ATOM 0 HB2 ARG A 17 4.409 -3.918 4.460 1.00 0.00 H new ATOM 0 HB3 ARG A 17 5.399 -2.719 5.267 1.00 0.00 H new ATOM 0 HG2 ARG A 17 5.045 -3.833 7.428 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.966 -4.993 6.680 1.00 0.00 H new ATOM 0 HD2 ARG A 17 5.757 -5.875 5.290 1.00 0.00 H new ATOM 0 HD3 ARG A 17 6.845 -4.594 5.789 1.00 0.00 H new ATOM 0 HE ARG A 17 5.781 -6.382 7.907 1.00 0.00 H new ATOM 0 HH11 ARG A 17 8.485 -5.326 5.874 1.00 0.00 H new ATOM 0 HH12 ARG A 17 9.684 -6.211 6.822 1.00 0.00 H new ATOM 0 HH21 ARG A 17 7.323 -7.514 9.101 1.00 0.00 H new ATOM 0 HH22 ARG A 17 9.028 -7.445 8.643 1.00 0.00 H new ATOM 273 N GLU A 18 4.284 -0.739 6.974 1.00 0.00 N ATOM 274 CA GLU A 18 4.448 0.104 8.153 1.00 0.00 C ATOM 275 C GLU A 18 3.162 0.852 8.445 1.00 0.00 C ATOM 276 O GLU A 18 2.774 1.020 9.601 1.00 0.00 O ATOM 277 CB GLU A 18 5.590 1.098 7.952 1.00 0.00 C ATOM 278 CG GLU A 18 6.942 0.430 7.811 1.00 0.00 C ATOM 279 CD GLU A 18 8.077 1.426 7.692 1.00 0.00 C ATOM 280 OE1 GLU A 18 7.945 2.552 8.213 1.00 0.00 O1- ATOM 281 OE2 GLU A 18 9.114 1.078 7.085 1.00 0.00 O ATOM 0 H GLU A 18 4.884 -0.486 6.189 1.00 0.00 H new ATOM 0 HA GLU A 18 4.689 -0.538 9.000 1.00 0.00 H new ATOM 0 HB2 GLU A 18 5.392 1.695 7.062 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.618 1.786 8.797 1.00 0.00 H new ATOM 0 HG2 GLU A 18 7.117 -0.212 8.674 1.00 0.00 H new ATOM 0 HG3 GLU A 18 6.935 -0.213 6.931 1.00 0.00 H new ATOM 288 N LEU A 19 2.506 1.292 7.381 1.00 0.00 N ATOM 289 CA LEU A 19 1.236 1.967 7.462 1.00 0.00 C ATOM 290 C LEU A 19 0.243 1.152 8.285 1.00 0.00 C ATOM 291 O LEU A 19 -0.372 1.658 9.224 1.00 0.00 O ATOM 292 CB LEU A 19 0.721 2.138 6.044 1.00 0.00 C ATOM 293 CG LEU A 19 0.030 3.448 5.729 1.00 0.00 C ATOM 294 CD1 LEU A 19 0.976 4.619 5.935 1.00 0.00 C ATOM 295 CD2 LEU A 19 -0.465 3.410 4.301 1.00 0.00 C ATOM 0 H LEU A 19 2.853 1.185 6.428 1.00 0.00 H new ATOM 0 HA LEU A 19 1.354 2.934 7.952 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.562 2.023 5.360 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.025 1.326 5.834 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.815 3.582 6.405 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.459 5.550 5.703 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.310 4.639 6.972 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.839 4.510 5.278 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.965 4.349 4.064 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.380 3.268 3.627 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.168 2.585 4.181 1.00 0.00 H new ATOM 307 N GLY A 20 0.095 -0.114 7.926 1.00 0.00 N ATOM 308 CA GLY A 20 -0.791 -0.994 8.654 1.00 0.00 C ATOM 309 C GLY A 20 -0.275 -1.343 10.036 1.00 0.00 C ATOM 310 O GLY A 20 -1.064 -1.531 10.960 1.00 0.00 O ATOM 0 H GLY A 20 0.576 -0.548 7.139 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.769 -0.521 8.746 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.933 -1.911 8.083 1.00 0.00 H new ATOM 314 N ASP A 21 1.045 -1.404 10.189 1.00 0.00 N ATOM 315 CA ASP A 21 1.648 -1.842 11.447 1.00 0.00 C ATOM 316 C ASP A 21 1.420 -0.827 12.567 1.00 0.00 C ATOM 317 O ASP A 21 1.310 -1.199 13.736 1.00 0.00 O ATOM 318 CB ASP A 21 3.147 -2.092 11.262 1.00 0.00 C ATOM 319 CG ASP A 21 3.796 -2.681 12.498 1.00 0.00 C ATOM 320 OD1 ASP A 21 3.713 -3.913 12.691 1.00 0.00 O ATOM 321 OD2 ASP A 21 4.406 -1.924 13.278 1.00 0.00 O1- ATOM 0 H ASP A 21 1.716 -1.157 9.462 1.00 0.00 H new ATOM 0 HA ASP A 21 1.162 -2.774 11.736 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.298 -2.768 10.420 1.00 0.00 H new ATOM 0 HB3 ASP A 21 3.640 -1.153 11.010 1.00 0.00 H new ATOM 326 N VAL A 22 1.333 0.449 12.213 1.00 0.00 N ATOM 327 CA VAL A 22 1.123 1.499 13.205 1.00 0.00 C ATOM 328 C VAL A 22 -0.344 1.890 13.278 1.00 0.00 C ATOM 329 O VAL A 22 -0.763 2.635 14.165 1.00 0.00 O ATOM 330 CB VAL A 22 1.962 2.758 12.909 1.00 0.00 C ATOM 331 CG1 VAL A 22 3.440 2.474 13.094 1.00 0.00 C ATOM 332 CG2 VAL A 22 1.689 3.270 11.504 1.00 0.00 C ATOM 0 H VAL A 22 1.404 0.782 11.252 1.00 0.00 H new ATOM 0 HA VAL A 22 1.445 1.087 14.162 1.00 0.00 H new ATOM 0 HB VAL A 22 1.671 3.533 13.618 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.013 3.376 12.880 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.625 2.162 14.122 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.746 1.680 12.413 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.292 4.159 11.317 1.00 0.00 H new ATOM 0 HG22 VAL A 22 1.946 2.498 10.779 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.633 3.521 11.407 1.00 0.00 H new ATOM 342 N GLY A 23 -1.122 1.383 12.335 1.00 0.00 N ATOM 343 CA GLY A 23 -2.542 1.649 12.331 1.00 0.00 C ATOM 344 C GLY A 23 -2.909 2.912 11.574 1.00 0.00 C ATOM 345 O GLY A 23 -3.810 3.645 11.972 1.00 0.00 O ATOM 0 H GLY A 23 -0.794 0.791 11.572 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.063 0.801 11.886 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -2.893 1.734 13.360 1.00 0.00 H new ATOM 349 N LEU A 24 -2.202 3.174 10.488 1.00 0.00 N ATOM 350 CA LEU A 24 -2.538 4.284 9.606 1.00 0.00 C ATOM 351 C LEU A 24 -3.328 3.777 8.414 1.00 0.00 C ATOM 352 O LEU A 24 -4.007 4.536 7.726 1.00 0.00 O ATOM 353 CB LEU A 24 -1.269 4.986 9.129 1.00 0.00 C ATOM 354 CG LEU A 24 -0.518 5.762 10.205 1.00 0.00 C ATOM 355 CD1 LEU A 24 0.835 6.216 9.684 1.00 0.00 C ATOM 356 CD2 LEU A 24 -1.341 6.953 10.662 1.00 0.00 C ATOM 0 H LEU A 24 -1.389 2.633 10.193 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.146 4.999 10.160 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.597 4.240 8.705 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.532 5.672 8.324 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.353 5.106 11.060 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.359 6.769 10.464 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.425 5.346 9.397 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.693 6.860 8.816 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.794 7.500 11.431 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.531 7.611 9.814 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.290 6.605 11.070 1.00 0.00 H new ATOM 368 N LEU A 25 -3.241 2.478 8.185 1.00 0.00 N ATOM 369 CA LEU A 25 -3.901 1.859 7.051 1.00 0.00 C ATOM 370 C LEU A 25 -5.210 1.219 7.485 1.00 0.00 C ATOM 371 O LEU A 25 -6.011 0.786 6.660 1.00 0.00 O ATOM 372 CB LEU A 25 -2.979 0.820 6.422 1.00 0.00 C ATOM 373 CG LEU A 25 -3.534 0.117 5.190 1.00 0.00 C ATOM 374 CD1 LEU A 25 -3.828 1.119 4.084 1.00 0.00 C ATOM 375 CD2 LEU A 25 -2.563 -0.947 4.720 1.00 0.00 C ATOM 0 H LEU A 25 -2.717 1.830 8.773 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.126 2.625 6.309 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.042 1.307 6.151 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.741 0.067 7.173 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.474 -0.367 5.455 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.223 0.595 3.214 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.562 1.844 4.436 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.909 1.637 3.809 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.967 -1.445 3.839 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.609 -0.484 4.469 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.413 -1.679 5.514 1.00 0.00 H new ATOM 387 N GLU A 26 -5.424 1.183 8.791 1.00 0.00 N ATOM 388 CA GLU A 26 -6.634 0.607 9.347 1.00 0.00 C ATOM 389 C GLU A 26 -7.853 1.397 8.892 1.00 0.00 C ATOM 390 O GLU A 26 -7.797 2.618 8.723 1.00 0.00 O ATOM 391 CB GLU A 26 -6.559 0.561 10.874 1.00 0.00 C ATOM 392 CG GLU A 26 -6.435 1.923 11.536 1.00 0.00 C ATOM 393 CD GLU A 26 -6.483 1.834 13.047 1.00 0.00 C ATOM 394 OE1 GLU A 26 -5.547 1.262 13.643 1.00 0.00 O1- ATOM 395 OE2 GLU A 26 -7.468 2.320 13.644 1.00 0.00 O ATOM 0 H GLU A 26 -4.772 1.548 9.486 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.729 -0.416 8.982 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -7.452 0.065 11.255 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.705 -0.051 11.166 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.498 2.389 11.231 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.240 2.569 11.187 1.00 0.00 H new ATOM 402 N TYR A 27 -8.942 0.690 8.666 1.00 0.00 N ATOM 403 CA TYR A 27 -10.153 1.302 8.150 1.00 0.00 C ATOM 404 C TYR A 27 -11.389 0.629 8.735 1.00 0.00 C ATOM 405 O TYR A 27 -11.284 -0.360 9.464 1.00 0.00 O ATOM 406 CB TYR A 27 -10.167 1.205 6.620 1.00 0.00 C ATOM 407 CG TYR A 27 -10.097 -0.217 6.104 1.00 0.00 C ATOM 408 CD1 TYR A 27 -11.250 -0.960 5.895 1.00 0.00 C ATOM 409 CD2 TYR A 27 -8.874 -0.818 5.837 1.00 0.00 C ATOM 410 CE1 TYR A 27 -11.189 -2.262 5.438 1.00 0.00 C ATOM 411 CE2 TYR A 27 -8.804 -2.117 5.377 1.00 0.00 C ATOM 412 CZ TYR A 27 -9.963 -2.836 5.179 1.00 0.00 C ATOM 413 OH TYR A 27 -9.894 -4.136 4.728 1.00 0.00 O ATOM 0 H TYR A 27 -9.014 -0.314 8.832 1.00 0.00 H new ATOM 0 HA TYR A 27 -10.169 2.352 8.443 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -11.075 1.676 6.242 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -9.325 1.770 6.220 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -12.213 -0.512 6.093 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -7.963 -0.260 5.992 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -12.097 -2.827 5.285 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -7.844 -2.569 5.173 1.00 0.00 H new ATOM 0 HH TYR A 27 -8.956 -4.386 4.594 1.00 0.00 H new ATOM 423 N GLU A 28 -12.550 1.165 8.405 1.00 0.00 N ATOM 424 CA GLU A 28 -13.817 0.608 8.842 1.00 0.00 C ATOM 425 C GLU A 28 -14.853 0.829 7.754 1.00 0.00 C ATOM 426 O GLU A 28 -15.064 1.957 7.306 1.00 0.00 O ATOM 427 CB GLU A 28 -14.269 1.249 10.157 1.00 0.00 C ATOM 428 CG GLU A 28 -15.567 0.675 10.701 1.00 0.00 C ATOM 429 CD GLU A 28 -15.500 -0.823 10.926 1.00 0.00 C ATOM 430 OE1 GLU A 28 -14.869 -1.255 11.915 1.00 0.00 O1- ATOM 431 OE2 GLU A 28 -16.079 -1.579 10.114 1.00 0.00 O ATOM 0 H GLU A 28 -12.641 2.000 7.826 1.00 0.00 H new ATOM 0 HA GLU A 28 -13.699 -0.461 9.021 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -13.484 1.120 10.902 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -14.392 2.321 10.005 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -15.811 1.168 11.642 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -16.376 0.897 10.006 1.00 0.00 H new ATOM 438 N LEU A 29 -15.484 -0.245 7.317 1.00 0.00 N ATOM 439 CA LEU A 29 -16.378 -0.181 6.179 1.00 0.00 C ATOM 440 C LEU A 29 -17.836 -0.269 6.597 1.00 0.00 C ATOM 441 O LEU A 29 -18.230 -1.155 7.359 1.00 0.00 O ATOM 442 CB LEU A 29 -16.059 -1.304 5.198 1.00 0.00 C ATOM 443 CG LEU A 29 -14.626 -1.318 4.671 1.00 0.00 C ATOM 444 CD1 LEU A 29 -14.423 -2.494 3.741 1.00 0.00 C ATOM 445 CD2 LEU A 29 -14.297 -0.016 3.958 1.00 0.00 C ATOM 0 H LEU A 29 -15.393 -1.172 7.734 1.00 0.00 H new ATOM 0 HA LEU A 29 -16.224 0.785 5.698 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -16.260 -2.258 5.685 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -16.740 -1.229 4.350 1.00 0.00 H new ATOM 0 HG LEU A 29 -13.950 -1.419 5.520 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -13.397 -2.493 3.372 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -14.614 -3.422 4.281 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -15.112 -2.416 2.900 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -13.271 -0.051 3.592 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -14.978 0.121 3.118 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -14.406 0.817 4.653 1.00 0.00 H new ATOM 457 N SER A 30 -18.624 0.661 6.089 1.00 0.00 N ATOM 458 CA SER A 30 -20.063 0.643 6.276 1.00 0.00 C ATOM 459 C SER A 30 -20.697 -0.230 5.198 1.00 0.00 C ATOM 460 O SER A 30 -19.991 -0.708 4.309 1.00 0.00 O ATOM 461 CB SER A 30 -20.605 2.070 6.200 1.00 0.00 C ATOM 462 OG SER A 30 -19.792 2.954 6.956 1.00 0.00 O ATOM 0 H SER A 30 -18.285 1.448 5.536 1.00 0.00 H new ATOM 0 HA SER A 30 -20.308 0.230 7.255 1.00 0.00 H new ATOM 0 HB2 SER A 30 -20.639 2.397 5.161 1.00 0.00 H new ATOM 0 HB3 SER A 30 -21.628 2.097 6.576 1.00 0.00 H new ATOM 0 HG SER A 30 -20.153 3.863 6.895 1.00 0.00 H new ATOM 468 N GLN A 31 -22.004 -0.439 5.257 1.00 0.00 N ATOM 469 CA GLN A 31 -22.682 -1.271 4.268 1.00 0.00 C ATOM 470 C GLN A 31 -22.442 -0.740 2.859 1.00 0.00 C ATOM 471 O GLN A 31 -22.205 -1.507 1.928 1.00 0.00 O ATOM 472 CB GLN A 31 -24.179 -1.349 4.569 1.00 0.00 C ATOM 473 CG GLN A 31 -24.504 -2.156 5.816 1.00 0.00 C ATOM 474 CD GLN A 31 -24.103 -3.615 5.689 1.00 0.00 C ATOM 475 OE1 GLN A 31 -24.889 -4.451 5.242 1.00 0.00 O ATOM 476 NE2 GLN A 31 -22.882 -3.935 6.084 1.00 0.00 N ATOM 0 H GLN A 31 -22.615 -0.048 5.974 1.00 0.00 H new ATOM 0 HA GLN A 31 -22.268 -2.277 4.326 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -24.571 -0.339 4.687 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -24.691 -1.792 3.715 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -23.993 -1.716 6.672 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -25.574 -2.093 6.016 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -22.259 -3.215 6.449 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -22.563 -4.902 6.024 1.00 0.00 H new ATOM 485 N GLN A 32 -22.461 0.579 2.721 1.00 0.00 N ATOM 486 CA GLN A 32 -22.214 1.221 1.437 1.00 0.00 C ATOM 487 C GLN A 32 -20.767 1.023 1.006 1.00 0.00 C ATOM 488 O GLN A 32 -20.484 0.732 -0.157 1.00 0.00 O ATOM 489 CB GLN A 32 -22.530 2.700 1.536 1.00 0.00 C ATOM 490 CG GLN A 32 -22.431 3.436 0.215 1.00 0.00 C ATOM 491 CD GLN A 32 -22.834 4.883 0.349 1.00 0.00 C ATOM 492 OE1 GLN A 32 -23.346 5.490 -0.589 1.00 0.00 O ATOM 493 NE2 GLN A 32 -22.614 5.443 1.522 1.00 0.00 N ATOM 0 H GLN A 32 -22.646 1.228 3.486 1.00 0.00 H new ATOM 0 HA GLN A 32 -22.860 0.764 0.688 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -23.537 2.821 1.934 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -21.848 3.161 2.250 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -21.409 3.376 -0.159 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -23.069 2.948 -0.522 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -22.186 4.902 2.273 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -22.871 6.418 1.678 1.00 0.00 H new ATOM 502 N GLU A 33 -19.855 1.169 1.957 1.00 0.00 N ATOM 503 CA GLU A 33 -18.434 1.010 1.687 1.00 0.00 C ATOM 504 C GLU A 33 -18.128 -0.434 1.302 1.00 0.00 C ATOM 505 O GLU A 33 -17.223 -0.702 0.517 1.00 0.00 O ATOM 506 CB GLU A 33 -17.609 1.401 2.914 1.00 0.00 C ATOM 507 CG GLU A 33 -17.974 2.755 3.500 1.00 0.00 C ATOM 508 CD GLU A 33 -17.774 3.899 2.529 1.00 0.00 C ATOM 509 OE1 GLU A 33 -16.629 4.374 2.395 1.00 0.00 O ATOM 510 OE2 GLU A 33 -18.766 4.348 1.921 1.00 0.00 O1- ATOM 0 H GLU A 33 -20.076 1.398 2.926 1.00 0.00 H new ATOM 0 HA GLU A 33 -18.167 1.666 0.858 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -17.736 0.638 3.682 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -16.553 1.407 2.642 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -19.016 2.736 3.820 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -17.371 2.933 4.390 1.00 0.00 H new ATOM 517 N LYS A 34 -18.903 -1.360 1.847 1.00 0.00 N ATOM 518 CA LYS A 34 -18.712 -2.772 1.566 1.00 0.00 C ATOM 519 C LYS A 34 -19.367 -3.136 0.244 1.00 0.00 C ATOM 520 O LYS A 34 -18.921 -4.040 -0.457 1.00 0.00 O ATOM 521 CB LYS A 34 -19.286 -3.633 2.697 1.00 0.00 C ATOM 522 CG LYS A 34 -18.479 -3.571 3.983 1.00 0.00 C ATOM 523 CD LYS A 34 -19.041 -4.501 5.049 1.00 0.00 C ATOM 524 CE LYS A 34 -18.231 -4.421 6.335 1.00 0.00 C ATOM 525 NZ LYS A 34 -18.758 -5.331 7.388 1.00 0.00 N1+ ATOM 0 H LYS A 34 -19.671 -1.157 2.487 1.00 0.00 H new ATOM 0 HA LYS A 34 -17.642 -2.967 1.496 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -20.307 -3.312 2.904 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -19.339 -4.669 2.362 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -17.443 -3.840 3.775 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -18.473 -2.548 4.359 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -20.079 -4.238 5.253 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -19.039 -5.526 4.678 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -17.192 -4.675 6.125 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -18.240 -3.396 6.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -18.176 -5.243 8.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -19.741 -5.074 7.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -18.726 -6.313 7.046 1.00 0.00 H new ATOM 539 N ASP A 35 -20.405 -2.394 -0.103 1.00 0.00 N ATOM 540 CA ASP A 35 -21.173 -2.648 -1.315 1.00 0.00 C ATOM 541 C ASP A 35 -20.370 -2.299 -2.562 1.00 0.00 C ATOM 542 O ASP A 35 -20.482 -2.960 -3.593 1.00 0.00 O ATOM 543 CB ASP A 35 -22.465 -1.832 -1.286 1.00 0.00 C ATOM 544 CG ASP A 35 -23.324 -2.038 -2.520 1.00 0.00 C ATOM 545 OD1 ASP A 35 -23.953 -3.106 -2.646 1.00 0.00 O ATOM 546 OD2 ASP A 35 -23.390 -1.120 -3.367 1.00 0.00 O1- ATOM 0 H ASP A 35 -20.740 -1.601 0.444 1.00 0.00 H new ATOM 0 HA ASP A 35 -21.410 -3.711 -1.352 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -23.040 -2.103 -0.400 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -22.218 -0.774 -1.194 1.00 0.00 H new ATOM 551 N VAL A 36 -19.553 -1.265 -2.464 1.00 0.00 N ATOM 552 CA VAL A 36 -18.770 -0.818 -3.607 1.00 0.00 C ATOM 553 C VAL A 36 -17.513 -1.668 -3.787 1.00 0.00 C ATOM 554 O VAL A 36 -16.961 -1.754 -4.882 1.00 0.00 O ATOM 555 CB VAL A 36 -18.384 0.671 -3.477 1.00 0.00 C ATOM 556 CG1 VAL A 36 -19.634 1.528 -3.359 1.00 0.00 C ATOM 557 CG2 VAL A 36 -17.468 0.905 -2.287 1.00 0.00 C ATOM 0 H VAL A 36 -19.414 -0.721 -1.612 1.00 0.00 H new ATOM 0 HA VAL A 36 -19.398 -0.937 -4.490 1.00 0.00 H new ATOM 0 HB VAL A 36 -17.840 0.957 -4.377 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -19.349 2.576 -3.268 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -20.251 1.396 -4.248 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -20.199 1.228 -2.477 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -17.216 1.964 -2.225 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -17.975 0.598 -1.372 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -16.556 0.321 -2.410 1.00 0.00 H new ATOM 567 N LEU A 37 -17.065 -2.294 -2.707 1.00 0.00 N ATOM 568 CA LEU A 37 -15.865 -3.121 -2.753 1.00 0.00 C ATOM 569 C LEU A 37 -16.215 -4.583 -2.978 1.00 0.00 C ATOM 570 O LEU A 37 -15.755 -5.208 -3.934 1.00 0.00 O ATOM 571 CB LEU A 37 -15.078 -2.970 -1.452 1.00 0.00 C ATOM 572 CG LEU A 37 -14.745 -1.530 -1.078 1.00 0.00 C ATOM 573 CD1 LEU A 37 -13.889 -1.478 0.175 1.00 0.00 C ATOM 574 CD2 LEU A 37 -14.054 -0.838 -2.237 1.00 0.00 C ATOM 0 H LEU A 37 -17.512 -2.246 -1.791 1.00 0.00 H new ATOM 0 HA LEU A 37 -15.253 -2.784 -3.589 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -15.651 -3.419 -0.641 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -14.149 -3.534 -1.536 1.00 0.00 H new ATOM 0 HG LEU A 37 -15.675 -1.003 -0.864 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -13.666 -0.440 0.420 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -14.428 -1.939 1.003 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -12.958 -2.018 0.002 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -13.820 0.190 -1.960 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -13.132 -1.367 -2.479 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -14.712 -0.839 -3.106 1.00 0.00 H new ATOM 659 N LYS B 43 -0.674 8.569 13.576 1.00 0.00 N ATOM 660 CA LYS B 43 0.572 7.869 13.848 1.00 0.00 C ATOM 661 C LYS B 43 1.619 8.191 12.790 1.00 0.00 C ATOM 662 O LYS B 43 1.324 8.800 11.759 1.00 0.00 O ATOM 663 CB LYS B 43 0.349 6.349 13.901 1.00 0.00 C ATOM 664 CG LYS B 43 -0.699 5.910 14.914 1.00 0.00 C ATOM 665 CD LYS B 43 -2.096 5.902 14.312 1.00 0.00 C ATOM 666 CE LYS B 43 -3.165 5.864 15.386 1.00 0.00 C ATOM 667 NZ LYS B 43 -3.098 4.624 16.201 1.00 0.00 N1+ ATOM 0 HA LYS B 43 0.932 8.209 14.819 1.00 0.00 H new ATOM 0 HB2 LYS B 43 0.051 6.002 12.912 1.00 0.00 H new ATOM 0 HB3 LYS B 43 1.295 5.862 14.138 1.00 0.00 H new ATOM 0 HG2 LYS B 43 -0.455 4.913 15.281 1.00 0.00 H new ATOM 0 HG3 LYS B 43 -0.677 6.580 15.774 1.00 0.00 H new ATOM 0 HD2 LYS B 43 -2.232 6.789 13.694 1.00 0.00 H new ATOM 0 HD3 LYS B 43 -2.206 5.037 13.657 1.00 0.00 H new ATOM 0 HE2 LYS B 43 -3.054 6.731 16.037 1.00 0.00 H new ATOM 0 HE3 LYS B 43 -4.148 5.938 14.921 1.00 0.00 H new ATOM 0 HZ1 LYS B 43 -3.847 4.642 16.922 1.00 0.00 H new ATOM 0 HZ2 LYS B 43 -3.230 3.796 15.585 1.00 0.00 H new ATOM 0 HZ3 LYS B 43 -2.170 4.565 16.667 1.00 0.00 H new ATOM 681 N THR B 44 2.838 7.782 13.060 1.00 0.00 N ATOM 682 CA THR B 44 3.934 7.970 12.134 1.00 0.00 C ATOM 683 C THR B 44 4.447 6.630 11.648 1.00 0.00 C ATOM 684 O THR B 44 4.061 5.587 12.177 1.00 0.00 O ATOM 685 CB THR B 44 5.077 8.747 12.797 1.00 0.00 C ATOM 686 OG1 THR B 44 5.189 8.368 14.177 1.00 0.00 O ATOM 687 CG2 THR B 44 4.843 10.240 12.682 1.00 0.00 C ATOM 0 H THR B 44 3.098 7.310 13.926 1.00 0.00 H new ATOM 0 HA THR B 44 3.564 8.544 11.284 1.00 0.00 H new ATOM 0 HB THR B 44 6.008 8.504 12.284 1.00 0.00 H new ATOM 0 HG1 THR B 44 5.922 8.867 14.595 1.00 0.00 H new ATOM 0 HG21 THR B 44 5.665 10.775 13.158 1.00 0.00 H new ATOM 0 HG22 THR B 44 4.789 10.520 11.630 1.00 0.00 H new ATOM 0 HG23 THR B 44 3.906 10.501 13.175 1.00 0.00 H new ATOM 695 N LEU B 45 5.314 6.650 10.654 1.00 0.00 N ATOM 696 CA LEU B 45 5.855 5.418 10.115 1.00 0.00 C ATOM 697 C LEU B 45 7.001 4.914 10.975 1.00 0.00 C ATOM 698 O LEU B 45 7.438 5.587 11.912 1.00 0.00 O ATOM 699 CB LEU B 45 6.306 5.610 8.669 1.00 0.00 C ATOM 700 CG LEU B 45 5.193 6.020 7.708 1.00 0.00 C ATOM 701 CD1 LEU B 45 5.696 6.033 6.280 1.00 0.00 C ATOM 702 CD2 LEU B 45 4.006 5.086 7.848 1.00 0.00 C ATOM 0 H LEU B 45 5.657 7.500 10.206 1.00 0.00 H new ATOM 0 HA LEU B 45 5.065 4.667 10.125 1.00 0.00 H new ATOM 0 HB2 LEU B 45 7.089 6.368 8.643 1.00 0.00 H new ATOM 0 HB3 LEU B 45 6.751 4.681 8.314 1.00 0.00 H new ATOM 0 HG LEU B 45 4.872 7.030 7.963 1.00 0.00 H new ATOM 0 HD11 LEU B 45 4.887 6.328 5.612 1.00 0.00 H new ATOM 0 HD12 LEU B 45 6.518 6.743 6.190 1.00 0.00 H new ATOM 0 HD13 LEU B 45 6.046 5.037 6.008 1.00 0.00 H new ATOM 0 HD21 LEU B 45 3.220 5.390 7.157 1.00 0.00 H new ATOM 0 HD22 LEU B 45 4.316 4.067 7.619 1.00 0.00 H new ATOM 0 HD23 LEU B 45 3.628 5.129 8.869 1.00 0.00 H new ATOM 714 N LYS B 46 7.487 3.735 10.645 1.00 0.00 N ATOM 715 CA LYS B 46 8.490 3.065 11.451 1.00 0.00 C ATOM 716 C LYS B 46 9.881 3.406 10.952 1.00 0.00 C ATOM 717 O LYS B 46 10.814 3.564 11.735 1.00 0.00 O ATOM 718 CB LYS B 46 8.243 1.565 11.419 1.00 0.00 C ATOM 719 CG LYS B 46 6.929 1.187 12.072 1.00 0.00 C ATOM 720 CD LYS B 46 6.328 -0.044 11.437 1.00 0.00 C ATOM 721 CE LYS B 46 7.143 -1.293 11.736 1.00 0.00 C ATOM 722 NZ LYS B 46 7.059 -1.674 13.169 1.00 0.00 N1+ ATOM 0 H LYS B 46 7.201 3.215 9.815 1.00 0.00 H new ATOM 0 HA LYS B 46 8.418 3.407 12.484 1.00 0.00 H new ATOM 0 HB2 LYS B 46 8.245 1.220 10.385 1.00 0.00 H new ATOM 0 HB3 LYS B 46 9.060 1.053 11.928 1.00 0.00 H new ATOM 0 HG2 LYS B 46 7.088 1.008 13.135 1.00 0.00 H new ATOM 0 HG3 LYS B 46 6.229 2.018 11.990 1.00 0.00 H new ATOM 0 HD2 LYS B 46 5.310 -0.180 11.801 1.00 0.00 H new ATOM 0 HD3 LYS B 46 6.265 0.098 10.358 1.00 0.00 H new ATOM 0 HE2 LYS B 46 6.785 -2.117 11.119 1.00 0.00 H new ATOM 0 HE3 LYS B 46 8.185 -1.121 11.466 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 7.436 -2.635 13.295 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 7.616 -1.006 13.739 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 6.066 -1.648 13.477 1.00 0.00 H new ATOM 736 N THR B 47 10.013 3.525 9.645 1.00 0.00 N ATOM 737 CA THR B 47 11.240 4.007 9.049 1.00 0.00 C ATOM 738 C THR B 47 11.151 5.515 8.862 1.00 0.00 C ATOM 739 O THR B 47 10.217 6.016 8.241 1.00 0.00 O ATOM 740 CB THR B 47 11.496 3.345 7.686 1.00 0.00 C ATOM 741 OG1 THR B 47 11.490 1.920 7.828 1.00 0.00 O ATOM 742 CG2 THR B 47 12.826 3.803 7.113 1.00 0.00 C ATOM 0 H THR B 47 9.281 3.293 8.974 1.00 0.00 H new ATOM 0 HA THR B 47 12.065 3.754 9.715 1.00 0.00 H new ATOM 0 HB THR B 47 10.702 3.641 7.000 1.00 0.00 H new ATOM 0 HG1 THR B 47 10.751 1.542 7.307 1.00 0.00 H new ATOM 0 HG21 THR B 47 12.991 3.324 6.148 1.00 0.00 H new ATOM 0 HG22 THR B 47 12.813 4.885 6.984 1.00 0.00 H new ATOM 0 HG23 THR B 47 13.630 3.529 7.796 1.00 0.00 H new ATOM 750 N LYS B 48 12.124 6.232 9.405 1.00 0.00 N ATOM 751 CA LYS B 48 12.128 7.688 9.351 1.00 0.00 C ATOM 752 C LYS B 48 12.269 8.179 7.917 1.00 0.00 C ATOM 753 O LYS B 48 11.708 9.209 7.546 1.00 0.00 O ATOM 754 CB LYS B 48 13.257 8.237 10.219 1.00 0.00 C ATOM 755 CG LYS B 48 13.262 9.756 10.350 1.00 0.00 C ATOM 756 CD LYS B 48 11.904 10.314 10.767 1.00 0.00 C ATOM 757 CE LYS B 48 11.438 9.751 12.100 1.00 0.00 C ATOM 758 NZ LYS B 48 10.096 10.270 12.481 1.00 0.00 N1+ ATOM 0 H LYS B 48 12.925 5.828 9.890 1.00 0.00 H new ATOM 0 HA LYS B 48 11.176 8.052 9.737 1.00 0.00 H new ATOM 0 HB2 LYS B 48 13.182 7.798 11.214 1.00 0.00 H new ATOM 0 HB3 LYS B 48 14.211 7.916 9.800 1.00 0.00 H new ATOM 0 HG2 LYS B 48 14.013 10.051 11.083 1.00 0.00 H new ATOM 0 HG3 LYS B 48 13.555 10.198 9.398 1.00 0.00 H new ATOM 0 HD2 LYS B 48 11.964 11.400 10.834 1.00 0.00 H new ATOM 0 HD3 LYS B 48 11.166 10.083 9.999 1.00 0.00 H new ATOM 0 HE2 LYS B 48 11.404 8.663 12.043 1.00 0.00 H new ATOM 0 HE3 LYS B 48 12.160 10.007 12.875 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 9.667 9.638 13.186 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 10.194 11.223 12.885 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 9.488 10.312 11.638 1.00 0.00 H new ATOM 772 N ALA B 49 13.017 7.432 7.116 1.00 0.00 N ATOM 773 CA ALA B 49 13.162 7.737 5.701 1.00 0.00 C ATOM 774 C ALA B 49 11.809 7.677 5.002 1.00 0.00 C ATOM 775 O ALA B 49 11.536 8.456 4.096 1.00 0.00 O ATOM 776 CB ALA B 49 14.140 6.773 5.047 1.00 0.00 C ATOM 0 H ALA B 49 13.534 6.608 7.424 1.00 0.00 H new ATOM 0 HA ALA B 49 13.557 8.748 5.605 1.00 0.00 H new ATOM 0 HB1 ALA B 49 14.237 7.015 3.989 1.00 0.00 H new ATOM 0 HB2 ALA B 49 15.114 6.859 5.530 1.00 0.00 H new ATOM 0 HB3 ALA B 49 13.771 5.753 5.153 1.00 0.00 H new ATOM 782 N PHE B 50 10.964 6.755 5.454 1.00 0.00 N ATOM 783 CA PHE B 50 9.619 6.595 4.910 1.00 0.00 C ATOM 784 C PHE B 50 8.675 7.625 5.515 1.00 0.00 C ATOM 785 O PHE B 50 7.881 8.251 4.810 1.00 0.00 O ATOM 786 CB PHE B 50 9.084 5.190 5.205 1.00 0.00 C ATOM 787 CG PHE B 50 9.653 4.099 4.340 1.00 0.00 C ATOM 788 CD1 PHE B 50 10.977 4.120 3.928 1.00 0.00 C ATOM 789 CD2 PHE B 50 8.850 3.047 3.942 1.00 0.00 C ATOM 790 CE1 PHE B 50 11.486 3.109 3.134 1.00 0.00 C ATOM 791 CE2 PHE B 50 9.352 2.034 3.149 1.00 0.00 C ATOM 792 CZ PHE B 50 10.672 2.065 2.745 1.00 0.00 C ATOM 0 H PHE B 50 11.190 6.101 6.203 1.00 0.00 H new ATOM 0 HA PHE B 50 9.673 6.742 3.831 1.00 0.00 H new ATOM 0 HB2 PHE B 50 9.290 4.951 6.248 1.00 0.00 H new ATOM 0 HB3 PHE B 50 8.000 5.198 5.088 1.00 0.00 H new ATOM 0 HD1 PHE B 50 11.618 4.935 4.231 1.00 0.00 H new ATOM 0 HD2 PHE B 50 7.817 3.017 4.255 1.00 0.00 H new ATOM 0 HE1 PHE B 50 12.519 3.136 2.819 1.00 0.00 H new ATOM 0 HE2 PHE B 50 8.713 1.218 2.845 1.00 0.00 H new ATOM 0 HZ PHE B 50 11.067 1.273 2.125 1.00 0.00 H new ATOM 802 N ASP B 51 8.777 7.789 6.833 1.00 0.00 N ATOM 803 CA ASP B 51 7.926 8.709 7.584 1.00 0.00 C ATOM 804 C ASP B 51 8.017 10.122 7.021 1.00 0.00 C ATOM 805 O ASP B 51 7.041 10.868 7.030 1.00 0.00 O ATOM 806 CB ASP B 51 8.327 8.713 9.066 1.00 0.00 C ATOM 807 CG ASP B 51 7.494 9.665 9.897 1.00 0.00 C ATOM 808 OD1 ASP B 51 6.257 9.521 9.908 1.00 0.00 O1- ATOM 809 OD2 ASP B 51 8.083 10.563 10.546 1.00 0.00 O ATOM 0 H ASP B 51 9.452 7.287 7.410 1.00 0.00 H new ATOM 0 HA ASP B 51 6.895 8.366 7.491 1.00 0.00 H new ATOM 0 HB2 ASP B 51 8.227 7.705 9.467 1.00 0.00 H new ATOM 0 HB3 ASP B 51 9.378 8.987 9.152 1.00 0.00 H new ATOM 814 N ASP B 52 9.195 10.472 6.519 1.00 0.00 N ATOM 815 CA ASP B 52 9.432 11.797 5.960 1.00 0.00 C ATOM 816 C ASP B 52 8.447 12.105 4.836 1.00 0.00 C ATOM 817 O ASP B 52 7.818 13.163 4.828 1.00 0.00 O ATOM 818 CB ASP B 52 10.868 11.913 5.453 1.00 0.00 C ATOM 819 CG ASP B 52 11.240 13.341 5.114 1.00 0.00 C ATOM 820 OD1 ASP B 52 11.217 14.193 6.028 1.00 0.00 O1- ATOM 821 OD2 ASP B 52 11.558 13.619 3.938 1.00 0.00 O ATOM 0 H ASP B 52 10.005 9.853 6.488 1.00 0.00 H new ATOM 0 HA ASP B 52 9.279 12.528 6.754 1.00 0.00 H new ATOM 0 HB2 ASP B 52 11.551 11.531 6.211 1.00 0.00 H new ATOM 0 HB3 ASP B 52 10.991 11.287 4.569 1.00 0.00 H new ATOM 826 N ILE B 53 8.289 11.165 3.908 1.00 0.00 N ATOM 827 CA ILE B 53 7.361 11.339 2.793 1.00 0.00 C ATOM 828 C ILE B 53 5.933 11.456 3.302 1.00 0.00 C ATOM 829 O ILE B 53 5.165 12.296 2.840 1.00 0.00 O ATOM 830 CB ILE B 53 7.432 10.168 1.788 1.00 0.00 C ATOM 831 CG1 ILE B 53 8.846 10.019 1.239 1.00 0.00 C ATOM 832 CG2 ILE B 53 6.443 10.370 0.649 1.00 0.00 C ATOM 833 CD1 ILE B 53 9.610 8.871 1.845 1.00 0.00 C ATOM 0 H ILE B 53 8.790 10.277 3.905 1.00 0.00 H new ATOM 0 HA ILE B 53 7.656 12.255 2.281 1.00 0.00 H new ATOM 0 HB ILE B 53 7.164 9.253 2.316 1.00 0.00 H new ATOM 0 HG12 ILE B 53 8.795 9.881 0.159 1.00 0.00 H new ATOM 0 HG13 ILE B 53 9.395 10.944 1.416 1.00 0.00 H new ATOM 0 HG21 ILE B 53 6.512 9.533 -0.045 1.00 0.00 H new ATOM 0 HG22 ILE B 53 5.431 10.426 1.051 1.00 0.00 H new ATOM 0 HG23 ILE B 53 6.676 11.297 0.124 1.00 0.00 H new ATOM 0 HD11 ILE B 53 10.607 8.826 1.407 1.00 0.00 H new ATOM 0 HD12 ILE B 53 9.693 9.017 2.922 1.00 0.00 H new ATOM 0 HD13 ILE B 53 9.084 7.938 1.645 1.00 0.00 H new ATOM 845 N TYR B 54 5.598 10.630 4.281 1.00 0.00 N ATOM 846 CA TYR B 54 4.250 10.597 4.833 1.00 0.00 C ATOM 847 C TYR B 54 3.868 11.953 5.428 1.00 0.00 C ATOM 848 O TYR B 54 2.690 12.310 5.481 1.00 0.00 O ATOM 849 CB TYR B 54 4.152 9.499 5.896 1.00 0.00 C ATOM 850 CG TYR B 54 2.736 9.173 6.316 1.00 0.00 C ATOM 851 CD1 TYR B 54 1.884 8.491 5.459 1.00 0.00 C ATOM 852 CD2 TYR B 54 2.258 9.535 7.569 1.00 0.00 C ATOM 853 CE1 TYR B 54 0.595 8.176 5.837 1.00 0.00 C ATOM 854 CE2 TYR B 54 0.967 9.225 7.954 1.00 0.00 C ATOM 855 CZ TYR B 54 0.141 8.545 7.084 1.00 0.00 C ATOM 856 OH TYR B 54 -1.144 8.226 7.463 1.00 0.00 O ATOM 0 H TYR B 54 6.244 9.969 4.713 1.00 0.00 H new ATOM 0 HA TYR B 54 3.550 10.377 4.027 1.00 0.00 H new ATOM 0 HB2 TYR B 54 4.624 8.594 5.513 1.00 0.00 H new ATOM 0 HB3 TYR B 54 4.719 9.807 6.775 1.00 0.00 H new ATOM 0 HD1 TYR B 54 2.236 8.202 4.480 1.00 0.00 H new ATOM 0 HD2 TYR B 54 2.904 10.066 8.252 1.00 0.00 H new ATOM 0 HE1 TYR B 54 -0.055 7.643 5.159 1.00 0.00 H new ATOM 0 HE2 TYR B 54 0.607 9.514 8.931 1.00 0.00 H new ATOM 0 HH TYR B 54 -1.420 7.398 7.018 1.00 0.00 H new ATOM 866 N GLN B 55 4.870 12.712 5.859 1.00 0.00 N ATOM 867 CA GLN B 55 4.630 14.018 6.462 1.00 0.00 C ATOM 868 C GLN B 55 4.741 15.136 5.425 1.00 0.00 C ATOM 869 O GLN B 55 4.274 16.253 5.652 1.00 0.00 O ATOM 870 CB GLN B 55 5.620 14.273 7.604 1.00 0.00 C ATOM 871 CG GLN B 55 5.726 13.128 8.606 1.00 0.00 C ATOM 872 CD GLN B 55 4.387 12.701 9.176 1.00 0.00 C ATOM 873 OE1 GLN B 55 3.463 13.505 9.301 1.00 0.00 O ATOM 874 NE2 GLN B 55 4.275 11.433 9.542 1.00 0.00 N ATOM 0 H GLN B 55 5.853 12.446 5.802 1.00 0.00 H new ATOM 0 HA GLN B 55 3.615 14.016 6.860 1.00 0.00 H new ATOM 0 HB2 GLN B 55 6.606 14.462 7.180 1.00 0.00 H new ATOM 0 HB3 GLN B 55 5.322 15.178 8.133 1.00 0.00 H new ATOM 0 HG2 GLN B 55 6.195 12.272 8.121 1.00 0.00 H new ATOM 0 HG3 GLN B 55 6.381 13.430 9.423 1.00 0.00 H new ATOM 0 HE21 GLN B 55 5.063 10.796 9.423 1.00 0.00 H new ATOM 0 HE22 GLN B 55 3.401 11.093 9.943 1.00 0.00 H new ATOM 883 N ASN B 56 5.355 14.835 4.288 1.00 0.00 N ATOM 884 CA ASN B 56 5.595 15.845 3.255 1.00 0.00 C ATOM 885 C ASN B 56 4.605 15.741 2.102 1.00 0.00 C ATOM 886 O ASN B 56 4.362 16.718 1.393 1.00 0.00 O ATOM 887 CB ASN B 56 7.023 15.727 2.721 1.00 0.00 C ATOM 888 CG ASN B 56 8.022 16.443 3.604 1.00 0.00 C ATOM 889 OD1 ASN B 56 8.345 17.610 3.378 1.00 0.00 O ATOM 890 ND2 ASN B 56 8.504 15.759 4.626 1.00 0.00 N ATOM 0 H ASN B 56 5.697 13.903 4.054 1.00 0.00 H new ATOM 0 HA ASN B 56 5.455 16.820 3.723 1.00 0.00 H new ATOM 0 HB2 ASN B 56 7.296 14.674 2.646 1.00 0.00 H new ATOM 0 HB3 ASN B 56 7.068 16.141 1.714 1.00 0.00 H new ATOM 0 HD21 ASN B 56 9.170 16.196 5.263 1.00 0.00 H new ATOM 0 HD22 ASN B 56 8.210 14.794 4.778 1.00 0.00 H new ATOM 897 N SER B 57 4.030 14.571 1.914 1.00 0.00 N ATOM 898 CA SER B 57 3.112 14.346 0.817 1.00 0.00 C ATOM 899 C SER B 57 1.689 14.214 1.342 1.00 0.00 C ATOM 900 O SER B 57 1.207 13.117 1.621 1.00 0.00 O ATOM 901 CB SER B 57 3.523 13.098 0.036 1.00 0.00 C ATOM 902 OG SER B 57 4.851 13.223 -0.449 1.00 0.00 O ATOM 0 H SER B 57 4.183 13.758 2.510 1.00 0.00 H new ATOM 0 HA SER B 57 3.148 15.200 0.141 1.00 0.00 H new ATOM 0 HB2 SER B 57 3.446 12.220 0.677 1.00 0.00 H new ATOM 0 HB3 SER B 57 2.839 12.944 -0.799 1.00 0.00 H new ATOM 0 HG SER B 57 5.096 12.414 -0.944 1.00 0.00 H new ATOM 908 N ALA B 58 1.024 15.349 1.475 1.00 0.00 N ATOM 909 CA ALA B 58 -0.330 15.386 1.995 1.00 0.00 C ATOM 910 C ALA B 58 -1.322 14.900 0.946 1.00 0.00 C ATOM 911 O ALA B 58 -2.406 14.421 1.277 1.00 0.00 O ATOM 912 CB ALA B 58 -0.668 16.792 2.455 1.00 0.00 C ATOM 0 H ALA B 58 1.404 16.263 1.228 1.00 0.00 H new ATOM 0 HA ALA B 58 -0.398 14.716 2.852 1.00 0.00 H new ATOM 0 HB1 ALA B 58 -1.686 16.813 2.844 1.00 0.00 H new ATOM 0 HB2 ALA B 58 0.026 17.095 3.239 1.00 0.00 H new ATOM 0 HB3 ALA B 58 -0.588 17.480 1.613 1.00 0.00 H new ATOM 918 N GLU B 59 -0.934 15.002 -0.320 1.00 0.00 N ATOM 919 CA GLU B 59 -1.758 14.503 -1.411 1.00 0.00 C ATOM 920 C GLU B 59 -1.727 12.977 -1.428 1.00 0.00 C ATOM 921 O GLU B 59 -2.603 12.326 -1.989 1.00 0.00 O ATOM 922 CB GLU B 59 -1.281 15.075 -2.749 1.00 0.00 C ATOM 923 CG GLU B 59 0.190 14.831 -3.032 1.00 0.00 C ATOM 924 CD GLU B 59 0.644 15.476 -4.324 1.00 0.00 C ATOM 925 OE1 GLU B 59 -0.106 15.418 -5.321 1.00 0.00 O ATOM 926 OE2 GLU B 59 1.758 16.039 -4.351 1.00 0.00 O1- ATOM 0 H GLU B 59 -0.054 15.426 -0.615 1.00 0.00 H new ATOM 0 HA GLU B 59 -2.787 14.828 -1.256 1.00 0.00 H new ATOM 0 HB2 GLU B 59 -1.873 14.637 -3.552 1.00 0.00 H new ATOM 0 HB3 GLU B 59 -1.470 16.148 -2.763 1.00 0.00 H new ATOM 0 HG2 GLU B 59 0.785 15.220 -2.206 1.00 0.00 H new ATOM 0 HG3 GLU B 59 0.375 13.758 -3.080 1.00 0.00 H new ATOM 933 N LEU B 60 -0.707 12.419 -0.791 1.00 0.00 N ATOM 934 CA LEU B 60 -0.599 10.982 -0.611 1.00 0.00 C ATOM 935 C LEU B 60 -1.545 10.555 0.513 1.00 0.00 C ATOM 936 O LEU B 60 -2.108 9.462 0.495 1.00 0.00 O ATOM 937 CB LEU B 60 0.871 10.632 -0.298 1.00 0.00 C ATOM 938 CG LEU B 60 1.257 9.145 -0.222 1.00 0.00 C ATOM 939 CD1 LEU B 60 0.856 8.528 1.110 1.00 0.00 C ATOM 940 CD2 LEU B 60 0.651 8.370 -1.379 1.00 0.00 C ATOM 0 H LEU B 60 0.065 12.949 -0.387 1.00 0.00 H new ATOM 0 HA LEU B 60 -0.888 10.445 -1.515 1.00 0.00 H new ATOM 0 HB2 LEU B 60 1.495 11.101 -1.058 1.00 0.00 H new ATOM 0 HB3 LEU B 60 1.129 11.093 0.655 1.00 0.00 H new ATOM 0 HG LEU B 60 2.343 9.084 -0.298 1.00 0.00 H new ATOM 0 HD11 LEU B 60 1.145 7.477 1.126 1.00 0.00 H new ATOM 0 HD12 LEU B 60 1.359 9.055 1.921 1.00 0.00 H new ATOM 0 HD13 LEU B 60 -0.223 8.609 1.238 1.00 0.00 H new ATOM 0 HD21 LEU B 60 0.938 7.321 -1.304 1.00 0.00 H new ATOM 0 HD22 LEU B 60 -0.435 8.453 -1.343 1.00 0.00 H new ATOM 0 HD23 LEU B 60 1.015 8.779 -2.321 1.00 0.00 H new ATOM 952 N GLN B 61 -1.744 11.459 1.467 1.00 0.00 N ATOM 953 CA GLN B 61 -2.605 11.199 2.612 1.00 0.00 C ATOM 954 C GLN B 61 -4.083 11.284 2.234 1.00 0.00 C ATOM 955 O GLN B 61 -4.895 10.514 2.739 1.00 0.00 O ATOM 956 CB GLN B 61 -2.292 12.182 3.747 1.00 0.00 C ATOM 957 CG GLN B 61 -3.247 12.091 4.934 1.00 0.00 C ATOM 958 CD GLN B 61 -3.295 10.709 5.566 1.00 0.00 C ATOM 959 OE1 GLN B 61 -4.316 10.302 6.115 1.00 0.00 O ATOM 960 NE2 GLN B 61 -2.199 9.977 5.486 1.00 0.00 N ATOM 0 H GLN B 61 -1.316 12.385 1.468 1.00 0.00 H new ATOM 0 HA GLN B 61 -2.405 10.183 2.953 1.00 0.00 H new ATOM 0 HB2 GLN B 61 -1.276 12.003 4.098 1.00 0.00 H new ATOM 0 HB3 GLN B 61 -2.318 13.197 3.351 1.00 0.00 H new ATOM 0 HG2 GLN B 61 -2.946 12.817 5.689 1.00 0.00 H new ATOM 0 HG3 GLN B 61 -4.249 12.368 4.607 1.00 0.00 H new ATOM 0 HE21 GLN B 61 -1.370 10.349 5.022 1.00 0.00 H new ATOM 0 HE22 GLN B 61 -2.181 9.040 5.888 1.00 0.00 H new ATOM 969 N GLU B 62 -4.434 12.210 1.340 1.00 0.00 N ATOM 970 CA GLU B 62 -5.834 12.391 0.957 1.00 0.00 C ATOM 971 C GLU B 62 -6.376 11.131 0.286 1.00 0.00 C ATOM 972 O GLU B 62 -7.569 10.837 0.368 1.00 0.00 O ATOM 973 CB GLU B 62 -6.019 13.603 0.036 1.00 0.00 C ATOM 974 CG GLU B 62 -5.411 13.437 -1.345 1.00 0.00 C ATOM 975 CD GLU B 62 -5.691 14.621 -2.248 1.00 0.00 C ATOM 976 OE1 GLU B 62 -5.235 15.741 -1.935 1.00 0.00 O1- ATOM 977 OE2 GLU B 62 -6.387 14.442 -3.270 1.00 0.00 O ATOM 0 H GLU B 62 -3.779 12.838 0.874 1.00 0.00 H new ATOM 0 HA GLU B 62 -6.399 12.577 1.870 1.00 0.00 H new ATOM 0 HB2 GLU B 62 -7.085 13.804 -0.071 1.00 0.00 H new ATOM 0 HB3 GLU B 62 -5.576 14.478 0.512 1.00 0.00 H new ATOM 0 HG2 GLU B 62 -4.333 13.303 -1.250 1.00 0.00 H new ATOM 0 HG3 GLU B 62 -5.806 12.531 -1.806 1.00 0.00 H new ATOM 984 N LEU B 63 -5.489 10.388 -0.362 1.00 0.00 N ATOM 985 CA LEU B 63 -5.850 9.121 -0.978 1.00 0.00 C ATOM 986 C LEU B 63 -6.113 8.081 0.104 1.00 0.00 C ATOM 987 O LEU B 63 -7.023 7.262 -0.005 1.00 0.00 O ATOM 988 CB LEU B 63 -4.727 8.652 -1.903 1.00 0.00 C ATOM 989 CG LEU B 63 -4.354 9.640 -3.009 1.00 0.00 C ATOM 990 CD1 LEU B 63 -3.066 9.217 -3.691 1.00 0.00 C ATOM 991 CD2 LEU B 63 -5.480 9.765 -4.025 1.00 0.00 C ATOM 0 H LEU B 63 -4.508 10.644 -0.474 1.00 0.00 H new ATOM 0 HA LEU B 63 -6.756 9.253 -1.569 1.00 0.00 H new ATOM 0 HB2 LEU B 63 -3.841 8.449 -1.302 1.00 0.00 H new ATOM 0 HB3 LEU B 63 -5.023 7.709 -2.362 1.00 0.00 H new ATOM 0 HG LEU B 63 -4.197 10.617 -2.552 1.00 0.00 H new ATOM 0 HD11 LEU B 63 -2.817 9.932 -4.475 1.00 0.00 H new ATOM 0 HD12 LEU B 63 -2.259 9.186 -2.958 1.00 0.00 H new ATOM 0 HD13 LEU B 63 -3.195 8.228 -4.130 1.00 0.00 H new ATOM 0 HD21 LEU B 63 -5.192 10.473 -4.802 1.00 0.00 H new ATOM 0 HD22 LEU B 63 -5.674 8.791 -4.475 1.00 0.00 H new ATOM 0 HD23 LEU B 63 -6.382 10.120 -3.527 1.00 0.00 H new ATOM 1003 N LEU B 64 -5.337 8.164 1.176 1.00 0.00 N ATOM 1004 CA LEU B 64 -5.459 7.250 2.306 1.00 0.00 C ATOM 1005 C LEU B 64 -6.645 7.611 3.196 1.00 0.00 C ATOM 1006 O LEU B 64 -6.747 7.142 4.327 1.00 0.00 O ATOM 1007 CB LEU B 64 -4.168 7.254 3.128 1.00 0.00 C ATOM 1008 CG LEU B 64 -3.043 6.378 2.576 1.00 0.00 C ATOM 1009 CD1 LEU B 64 -1.743 6.669 3.306 1.00 0.00 C ATOM 1010 CD2 LEU B 64 -3.407 4.907 2.704 1.00 0.00 C ATOM 0 H LEU B 64 -4.605 8.866 1.288 1.00 0.00 H new ATOM 0 HA LEU B 64 -5.632 6.250 1.907 1.00 0.00 H new ATOM 0 HB2 LEU B 64 -3.806 8.279 3.201 1.00 0.00 H new ATOM 0 HB3 LEU B 64 -4.400 6.925 4.141 1.00 0.00 H new ATOM 0 HG LEU B 64 -2.907 6.609 1.520 1.00 0.00 H new ATOM 0 HD11 LEU B 64 -0.950 6.038 2.903 1.00 0.00 H new ATOM 0 HD12 LEU B 64 -1.477 7.717 3.171 1.00 0.00 H new ATOM 0 HD13 LEU B 64 -1.868 6.460 4.369 1.00 0.00 H new ATOM 0 HD21 LEU B 64 -2.597 4.296 2.307 1.00 0.00 H new ATOM 0 HD22 LEU B 64 -3.566 4.661 3.754 1.00 0.00 H new ATOM 0 HD23 LEU B 64 -4.320 4.708 2.143 1.00 0.00 H new ATOM 1022 N LYS B 65 -7.532 8.453 2.689 1.00 0.00 N ATOM 1023 CA LYS B 65 -8.750 8.792 3.406 1.00 0.00 C ATOM 1024 C LYS B 65 -9.938 8.086 2.764 1.00 0.00 C ATOM 1025 O LYS B 65 -11.034 8.039 3.327 1.00 0.00 O ATOM 1026 CB LYS B 65 -8.954 10.309 3.420 1.00 0.00 C ATOM 1027 CG LYS B 65 -7.760 11.059 3.991 1.00 0.00 C ATOM 1028 CD LYS B 65 -7.970 12.566 4.012 1.00 0.00 C ATOM 1029 CE LYS B 65 -8.980 12.984 5.068 1.00 0.00 C ATOM 1030 NZ LYS B 65 -9.010 14.459 5.246 1.00 0.00 N1+ ATOM 0 H LYS B 65 -7.431 8.914 1.785 1.00 0.00 H new ATOM 0 HA LYS B 65 -8.665 8.456 4.439 1.00 0.00 H new ATOM 0 HB2 LYS B 65 -9.142 10.655 2.404 1.00 0.00 H new ATOM 0 HB3 LYS B 65 -9.841 10.546 4.007 1.00 0.00 H new ATOM 0 HG2 LYS B 65 -7.567 10.709 5.005 1.00 0.00 H new ATOM 0 HG3 LYS B 65 -6.874 10.828 3.400 1.00 0.00 H new ATOM 0 HD2 LYS B 65 -7.019 13.062 4.203 1.00 0.00 H new ATOM 0 HD3 LYS B 65 -8.311 12.898 3.032 1.00 0.00 H new ATOM 0 HE2 LYS B 65 -9.971 12.632 4.783 1.00 0.00 H new ATOM 0 HE3 LYS B 65 -8.733 12.508 6.017 1.00 0.00 H new ATOM 0 HZ1 LYS B 65 -9.710 14.707 5.974 1.00 0.00 H new ATOM 0 HZ2 LYS B 65 -8.070 14.792 5.542 1.00 0.00 H new ATOM 0 HZ3 LYS B 65 -9.270 14.912 4.347 1.00 0.00 H new ATOM 1044 N TYR B 66 -9.697 7.516 1.587 1.00 0.00 N ATOM 1045 CA TYR B 66 -10.715 6.761 0.872 1.00 0.00 C ATOM 1046 C TYR B 66 -10.676 5.300 1.298 1.00 0.00 C ATOM 1047 O TYR B 66 -9.614 4.674 1.322 1.00 0.00 O ATOM 1048 CB TYR B 66 -10.499 6.849 -0.639 1.00 0.00 C ATOM 1049 CG TYR B 66 -10.688 8.230 -1.224 1.00 0.00 C ATOM 1050 CD1 TYR B 66 -11.948 8.688 -1.577 1.00 0.00 C ATOM 1051 CD2 TYR B 66 -9.601 9.066 -1.439 1.00 0.00 C ATOM 1052 CE1 TYR B 66 -12.123 9.944 -2.126 1.00 0.00 C ATOM 1053 CE2 TYR B 66 -9.764 10.322 -1.990 1.00 0.00 C ATOM 1054 CZ TYR B 66 -11.028 10.756 -2.331 1.00 0.00 C ATOM 1055 OH TYR B 66 -11.198 12.005 -2.887 1.00 0.00 O ATOM 0 H TYR B 66 -8.798 7.565 1.107 1.00 0.00 H new ATOM 0 HA TYR B 66 -11.687 7.191 1.115 1.00 0.00 H new ATOM 0 HB2 TYR B 66 -9.490 6.507 -0.869 1.00 0.00 H new ATOM 0 HB3 TYR B 66 -11.188 6.163 -1.132 1.00 0.00 H new ATOM 0 HD1 TYR B 66 -12.807 8.053 -1.420 1.00 0.00 H new ATOM 0 HD2 TYR B 66 -8.611 8.729 -1.171 1.00 0.00 H new ATOM 0 HE1 TYR B 66 -13.112 10.287 -2.393 1.00 0.00 H new ATOM 0 HE2 TYR B 66 -8.908 10.960 -2.153 1.00 0.00 H new ATOM 0 HH TYR B 66 -10.328 12.450 -2.963 1.00 0.00 H new ATOM 1065 N ASN B 67 -11.841 4.761 1.621 1.00 0.00 N ATOM 1066 CA ASN B 67 -11.954 3.391 2.112 1.00 0.00 C ATOM 1067 C ASN B 67 -11.649 2.369 1.023 1.00 0.00 C ATOM 1068 O ASN B 67 -11.253 1.245 1.320 1.00 0.00 O ATOM 1069 CB ASN B 67 -13.350 3.145 2.686 1.00 0.00 C ATOM 1070 CG ASN B 67 -13.542 3.800 4.040 1.00 0.00 C ATOM 1071 OD1 ASN B 67 -12.600 3.917 4.827 1.00 0.00 O ATOM 1072 ND2 ASN B 67 -14.753 4.247 4.316 1.00 0.00 N ATOM 0 H ASN B 67 -12.731 5.254 1.552 1.00 0.00 H new ATOM 0 HA ASN B 67 -11.212 3.266 2.901 1.00 0.00 H new ATOM 0 HB2 ASN B 67 -14.098 3.527 1.991 1.00 0.00 H new ATOM 0 HB3 ASN B 67 -13.518 2.072 2.777 1.00 0.00 H new ATOM 0 HD21 ASN B 67 -14.935 4.709 5.207 1.00 0.00 H new ATOM 0 HD22 ASN B 67 -15.506 4.131 3.638 1.00 0.00 H new ATOM 1079 N THR B 68 -11.812 2.764 -0.232 1.00 0.00 N ATOM 1080 CA THR B 68 -11.532 1.873 -1.352 1.00 0.00 C ATOM 1081 C THR B 68 -10.026 1.717 -1.521 1.00 0.00 C ATOM 1082 O THR B 68 -9.522 0.647 -1.880 1.00 0.00 O ATOM 1083 CB THR B 68 -12.152 2.412 -2.665 1.00 0.00 C ATOM 1084 OG1 THR B 68 -13.578 2.495 -2.537 1.00 0.00 O ATOM 1085 CG2 THR B 68 -11.798 1.524 -3.850 1.00 0.00 C ATOM 0 H THR B 68 -12.136 3.693 -0.501 1.00 0.00 H new ATOM 0 HA THR B 68 -11.981 0.903 -1.136 1.00 0.00 H new ATOM 0 HB THR B 68 -11.741 3.405 -2.845 1.00 0.00 H new ATOM 0 HG1 THR B 68 -13.962 2.838 -3.371 1.00 0.00 H new ATOM 0 HG21 THR B 68 -12.248 1.930 -4.756 1.00 0.00 H new ATOM 0 HG22 THR B 68 -10.715 1.489 -3.967 1.00 0.00 H new ATOM 0 HG23 THR B 68 -12.177 0.517 -3.676 1.00 0.00 H new ATOM 1093 N VAL B 69 -9.319 2.793 -1.233 1.00 0.00 N ATOM 1094 CA VAL B 69 -7.872 2.822 -1.327 1.00 0.00 C ATOM 1095 C VAL B 69 -7.252 1.950 -0.253 1.00 0.00 C ATOM 1096 O VAL B 69 -6.547 0.981 -0.547 1.00 0.00 O ATOM 1097 CB VAL B 69 -7.362 4.262 -1.170 1.00 0.00 C ATOM 1098 CG1 VAL B 69 -5.847 4.320 -1.213 1.00 0.00 C ATOM 1099 CG2 VAL B 69 -7.964 5.138 -2.245 1.00 0.00 C ATOM 0 H VAL B 69 -9.733 3.674 -0.927 1.00 0.00 H new ATOM 0 HA VAL B 69 -7.585 2.439 -2.306 1.00 0.00 H new ATOM 0 HB VAL B 69 -7.674 4.633 -0.194 1.00 0.00 H new ATOM 0 HG11 VAL B 69 -5.519 5.353 -1.099 1.00 0.00 H new ATOM 0 HG12 VAL B 69 -5.437 3.718 -0.403 1.00 0.00 H new ATOM 0 HG13 VAL B 69 -5.495 3.931 -2.168 1.00 0.00 H new ATOM 0 HG21 VAL B 69 -7.599 6.159 -2.129 1.00 0.00 H new ATOM 0 HG22 VAL B 69 -7.677 4.759 -3.226 1.00 0.00 H new ATOM 0 HG23 VAL B 69 -9.050 5.129 -2.156 1.00 0.00 H new ATOM 1109 N LYS B 70 -7.546 2.302 0.988 1.00 0.00 N ATOM 1110 CA LYS B 70 -7.006 1.598 2.149 1.00 0.00 C ATOM 1111 C LYS B 70 -7.315 0.103 2.082 1.00 0.00 C ATOM 1112 O LYS B 70 -6.481 -0.721 2.445 1.00 0.00 O ATOM 1113 CB LYS B 70 -7.568 2.191 3.444 1.00 0.00 C ATOM 1114 CG LYS B 70 -7.486 3.708 3.496 1.00 0.00 C ATOM 1115 CD LYS B 70 -7.800 4.251 4.882 1.00 0.00 C ATOM 1116 CE LYS B 70 -6.619 4.083 5.827 1.00 0.00 C ATOM 1117 NZ LYS B 70 -6.853 4.742 7.138 1.00 0.00 N1+ ATOM 0 H LYS B 70 -8.163 3.080 1.223 1.00 0.00 H new ATOM 0 HA LYS B 70 -5.923 1.724 2.141 1.00 0.00 H new ATOM 0 HB2 LYS B 70 -8.609 1.886 3.553 1.00 0.00 H new ATOM 0 HB3 LYS B 70 -7.024 1.775 4.292 1.00 0.00 H new ATOM 0 HG2 LYS B 70 -6.487 4.027 3.200 1.00 0.00 H new ATOM 0 HG3 LYS B 70 -8.183 4.133 2.774 1.00 0.00 H new ATOM 0 HD2 LYS B 70 -8.062 5.306 4.810 1.00 0.00 H new ATOM 0 HD3 LYS B 70 -8.669 3.734 5.288 1.00 0.00 H new ATOM 0 HE2 LYS B 70 -6.430 3.021 5.984 1.00 0.00 H new ATOM 0 HE3 LYS B 70 -5.724 4.502 5.366 1.00 0.00 H new ATOM 0 HZ1 LYS B 70 -5.941 5.010 7.559 1.00 0.00 H new ATOM 0 HZ2 LYS B 70 -7.434 5.593 7.000 1.00 0.00 H new ATOM 0 HZ3 LYS B 70 -7.348 4.084 7.774 1.00 0.00 H new ATOM 1131 N PHE B 71 -8.508 -0.237 1.598 1.00 0.00 N ATOM 1132 CA PHE B 71 -8.914 -1.634 1.450 1.00 0.00 C ATOM 1133 C PHE B 71 -7.929 -2.411 0.579 1.00 0.00 C ATOM 1134 O PHE B 71 -7.446 -3.475 0.965 1.00 0.00 O ATOM 1135 CB PHE B 71 -10.318 -1.717 0.844 1.00 0.00 C ATOM 1136 CG PHE B 71 -10.656 -3.074 0.287 1.00 0.00 C ATOM 1137 CD1 PHE B 71 -10.857 -4.155 1.127 1.00 0.00 C ATOM 1138 CD2 PHE B 71 -10.753 -3.265 -1.084 1.00 0.00 C ATOM 1139 CE1 PHE B 71 -11.153 -5.402 0.611 1.00 0.00 C ATOM 1140 CE2 PHE B 71 -11.048 -4.509 -1.604 1.00 0.00 C ATOM 1141 CZ PHE B 71 -11.249 -5.579 -0.757 1.00 0.00 C ATOM 0 H PHE B 71 -9.213 0.438 1.301 1.00 0.00 H new ATOM 0 HA PHE B 71 -8.921 -2.084 2.443 1.00 0.00 H new ATOM 0 HB2 PHE B 71 -11.050 -1.455 1.608 1.00 0.00 H new ATOM 0 HB3 PHE B 71 -10.406 -0.976 0.050 1.00 0.00 H new ATOM 0 HD1 PHE B 71 -10.782 -4.023 2.196 1.00 0.00 H new ATOM 0 HD2 PHE B 71 -10.596 -2.431 -1.752 1.00 0.00 H new ATOM 0 HE1 PHE B 71 -11.309 -6.238 1.276 1.00 0.00 H new ATOM 0 HE2 PHE B 71 -11.121 -4.645 -2.673 1.00 0.00 H new ATOM 0 HZ PHE B 71 -11.481 -6.553 -1.162 1.00 0.00 H new ATOM 1151 N HIS B 72 -7.632 -1.866 -0.591 1.00 0.00 N ATOM 1152 CA HIS B 72 -6.772 -2.545 -1.552 1.00 0.00 C ATOM 1153 C HIS B 72 -5.351 -2.670 -1.026 1.00 0.00 C ATOM 1154 O HIS B 72 -4.672 -3.665 -1.275 1.00 0.00 O ATOM 1155 CB HIS B 72 -6.773 -1.803 -2.889 1.00 0.00 C ATOM 1156 CG HIS B 72 -7.984 -2.067 -3.726 1.00 0.00 C ATOM 1157 ND1 HIS B 72 -9.107 -1.272 -3.708 1.00 0.00 N ATOM 1158 CD2 HIS B 72 -8.234 -3.044 -4.625 1.00 0.00 C ATOM 1159 CE1 HIS B 72 -9.995 -1.751 -4.561 1.00 0.00 C ATOM 1160 NE2 HIS B 72 -9.490 -2.825 -5.130 1.00 0.00 N ATOM 0 H HIS B 72 -7.973 -0.955 -0.899 1.00 0.00 H new ATOM 0 HA HIS B 72 -7.169 -3.549 -1.703 1.00 0.00 H new ATOM 0 HB2 HIS B 72 -6.701 -0.732 -2.699 1.00 0.00 H new ATOM 0 HB3 HIS B 72 -5.884 -2.088 -3.452 1.00 0.00 H new ATOM 0 HD1 HIS B 72 -9.234 -0.443 -3.127 1.00 0.00 H new ATOM 0 HD2 HIS B 72 -7.567 -3.849 -4.896 1.00 0.00 H new ATOM 0 HE1 HIS B 72 -10.971 -1.332 -4.758 1.00 0.00 H new ATOM 1169 N LEU B 73 -4.915 -1.666 -0.284 1.00 0.00 N ATOM 1170 CA LEU B 73 -3.570 -1.656 0.269 1.00 0.00 C ATOM 1171 C LEU B 73 -3.470 -2.606 1.461 1.00 0.00 C ATOM 1172 O LEU B 73 -2.436 -3.230 1.688 1.00 0.00 O ATOM 1173 CB LEU B 73 -3.185 -0.237 0.686 1.00 0.00 C ATOM 1174 CG LEU B 73 -3.266 0.815 -0.423 1.00 0.00 C ATOM 1175 CD1 LEU B 73 -2.926 2.190 0.126 1.00 0.00 C ATOM 1176 CD2 LEU B 73 -2.340 0.459 -1.578 1.00 0.00 C ATOM 0 H LEU B 73 -5.474 -0.845 -0.050 1.00 0.00 H new ATOM 0 HA LEU B 73 -2.877 -1.998 -0.499 1.00 0.00 H new ATOM 0 HB2 LEU B 73 -3.834 0.072 1.505 1.00 0.00 H new ATOM 0 HB3 LEU B 73 -2.167 -0.254 1.075 1.00 0.00 H new ATOM 0 HG LEU B 73 -4.288 0.833 -0.801 1.00 0.00 H new ATOM 0 HD11 LEU B 73 -2.988 2.927 -0.675 1.00 0.00 H new ATOM 0 HD12 LEU B 73 -3.631 2.451 0.915 1.00 0.00 H new ATOM 0 HD13 LEU B 73 -1.915 2.180 0.532 1.00 0.00 H new ATOM 0 HD21 LEU B 73 -2.416 1.222 -2.353 1.00 0.00 H new ATOM 0 HD22 LEU B 73 -1.312 0.408 -1.218 1.00 0.00 H new ATOM 0 HD23 LEU B 73 -2.628 -0.508 -1.991 1.00 0.00 H new ATOM 1188 N ALA B 74 -4.553 -2.728 2.214 1.00 0.00 N ATOM 1189 CA ALA B 74 -4.582 -3.624 3.361 1.00 0.00 C ATOM 1190 C ALA B 74 -4.479 -5.077 2.914 1.00 0.00 C ATOM 1191 O ALA B 74 -3.931 -5.918 3.628 1.00 0.00 O ATOM 1192 CB ALA B 74 -5.842 -3.402 4.179 1.00 0.00 C ATOM 0 H ALA B 74 -5.422 -2.219 2.052 1.00 0.00 H new ATOM 0 HA ALA B 74 -3.721 -3.401 3.991 1.00 0.00 H new ATOM 0 HB1 ALA B 74 -5.846 -4.080 5.032 1.00 0.00 H new ATOM 0 HB2 ALA B 74 -5.868 -2.372 4.534 1.00 0.00 H new ATOM 0 HB3 ALA B 74 -6.717 -3.594 3.558 1.00 0.00 H new ATOM 1198 N LYS B 75 -4.995 -5.365 1.723 1.00 0.00 N ATOM 1199 CA LYS B 75 -4.896 -6.703 1.160 1.00 0.00 C ATOM 1200 C LYS B 75 -3.438 -7.093 0.947 1.00 0.00 C ATOM 1201 O LYS B 75 -3.044 -8.226 1.233 1.00 0.00 O ATOM 1202 CB LYS B 75 -5.653 -6.802 -0.167 1.00 0.00 C ATOM 1203 CG LYS B 75 -7.160 -6.657 -0.031 1.00 0.00 C ATOM 1204 CD LYS B 75 -7.868 -6.936 -1.349 1.00 0.00 C ATOM 1205 CE LYS B 75 -7.643 -8.368 -1.814 1.00 0.00 C ATOM 1206 NZ LYS B 75 -8.387 -8.678 -3.063 1.00 0.00 N1+ ATOM 0 H LYS B 75 -5.484 -4.692 1.133 1.00 0.00 H new ATOM 0 HA LYS B 75 -5.349 -7.392 1.873 1.00 0.00 H new ATOM 0 HB2 LYS B 75 -5.284 -6.031 -0.843 1.00 0.00 H new ATOM 0 HB3 LYS B 75 -5.431 -7.764 -0.629 1.00 0.00 H new ATOM 0 HG2 LYS B 75 -7.525 -7.344 0.732 1.00 0.00 H new ATOM 0 HG3 LYS B 75 -7.401 -5.649 0.306 1.00 0.00 H new ATOM 0 HD2 LYS B 75 -8.937 -6.754 -1.234 1.00 0.00 H new ATOM 0 HD3 LYS B 75 -7.507 -6.245 -2.110 1.00 0.00 H new ATOM 0 HE2 LYS B 75 -6.578 -8.532 -1.978 1.00 0.00 H new ATOM 0 HE3 LYS B 75 -7.954 -9.056 -1.028 1.00 0.00 H new ATOM 0 HZ1 LYS B 75 -8.203 -9.663 -3.341 1.00 0.00 H new ATOM 0 HZ2 LYS B 75 -9.406 -8.548 -2.901 1.00 0.00 H new ATOM 0 HZ3 LYS B 75 -8.073 -8.040 -3.822 1.00 0.00 H new ATOM 1220 N VAL B 76 -2.632 -6.150 0.464 1.00 0.00 N ATOM 1221 CA VAL B 76 -1.230 -6.432 0.191 1.00 0.00 C ATOM 1222 C VAL B 76 -0.433 -6.457 1.492 1.00 0.00 C ATOM 1223 O VAL B 76 0.530 -7.207 1.618 1.00 0.00 O ATOM 1224 CB VAL B 76 -0.596 -5.426 -0.807 1.00 0.00 C ATOM 1225 CG1 VAL B 76 -1.525 -5.188 -1.986 1.00 0.00 C ATOM 1226 CG2 VAL B 76 -0.225 -4.110 -0.141 1.00 0.00 C ATOM 0 H VAL B 76 -2.924 -5.195 0.256 1.00 0.00 H new ATOM 0 HA VAL B 76 -1.192 -7.414 -0.281 1.00 0.00 H new ATOM 0 HB VAL B 76 0.330 -5.872 -1.171 1.00 0.00 H new ATOM 0 HG11 VAL B 76 -1.064 -4.480 -2.675 1.00 0.00 H new ATOM 0 HG12 VAL B 76 -1.707 -6.131 -2.502 1.00 0.00 H new ATOM 0 HG13 VAL B 76 -2.471 -4.782 -1.628 1.00 0.00 H new ATOM 0 HG21 VAL B 76 0.215 -3.440 -0.880 1.00 0.00 H new ATOM 0 HG22 VAL B 76 -1.119 -3.650 0.280 1.00 0.00 H new ATOM 0 HG23 VAL B 76 0.496 -4.296 0.655 1.00 0.00 H new ATOM 1236 N TYR B 77 -0.862 -5.656 2.464 1.00 0.00 N ATOM 1237 CA TYR B 77 -0.239 -5.636 3.783 1.00 0.00 C ATOM 1238 C TYR B 77 -0.245 -7.034 4.395 1.00 0.00 C ATOM 1239 O TYR B 77 0.743 -7.473 4.987 1.00 0.00 O ATOM 1240 CB TYR B 77 -0.976 -4.644 4.690 1.00 0.00 C ATOM 1241 CG TYR B 77 -0.570 -4.708 6.148 1.00 0.00 C ATOM 1242 CD1 TYR B 77 0.766 -4.783 6.521 1.00 0.00 C ATOM 1243 CD2 TYR B 77 -1.531 -4.691 7.150 1.00 0.00 C ATOM 1244 CE1 TYR B 77 1.134 -4.842 7.851 1.00 0.00 C ATOM 1245 CE2 TYR B 77 -1.172 -4.749 8.483 1.00 0.00 C ATOM 1246 CZ TYR B 77 0.159 -4.826 8.828 1.00 0.00 C ATOM 1247 OH TYR B 77 0.517 -4.881 10.155 1.00 0.00 O ATOM 0 H TYR B 77 -1.644 -5.009 2.361 1.00 0.00 H new ATOM 0 HA TYR B 77 0.798 -5.315 3.682 1.00 0.00 H new ATOM 0 HB2 TYR B 77 -0.801 -3.634 4.321 1.00 0.00 H new ATOM 0 HB3 TYR B 77 -2.048 -4.829 4.615 1.00 0.00 H new ATOM 0 HD1 TYR B 77 1.530 -4.795 5.758 1.00 0.00 H new ATOM 0 HD2 TYR B 77 -2.576 -4.631 6.883 1.00 0.00 H new ATOM 0 HE1 TYR B 77 2.177 -4.900 8.125 1.00 0.00 H new ATOM 0 HE2 TYR B 77 -1.932 -4.734 9.251 1.00 0.00 H new ATOM 0 HH TYR B 77 -0.289 -4.859 10.712 1.00 0.00 H new ATOM 1257 N ARG B 78 -1.358 -7.735 4.225 1.00 0.00 N ATOM 1258 CA ARG B 78 -1.483 -9.105 4.705 1.00 0.00 C ATOM 1259 C ARG B 78 -0.463 -10.002 4.018 1.00 0.00 C ATOM 1260 O ARG B 78 0.080 -10.926 4.620 1.00 0.00 O ATOM 1261 CB ARG B 78 -2.885 -9.629 4.448 1.00 0.00 C ATOM 1262 CG ARG B 78 -3.952 -8.793 5.112 1.00 0.00 C ATOM 1263 CD ARG B 78 -5.303 -9.470 5.048 1.00 0.00 C ATOM 1264 NE ARG B 78 -5.733 -9.722 3.672 1.00 0.00 N ATOM 1265 CZ ARG B 78 -7.006 -9.738 3.278 1.00 0.00 C ATOM 1266 NH1 ARG B 78 -7.980 -9.492 4.147 1.00 0.00 N1+ ATOM 1267 NH2 ARG B 78 -7.306 -9.994 2.011 1.00 0.00 N ATOM 0 H ARG B 78 -2.190 -7.376 3.757 1.00 0.00 H new ATOM 0 HA ARG B 78 -1.294 -9.112 5.778 1.00 0.00 H new ATOM 0 HB2 ARG B 78 -3.067 -9.656 3.374 1.00 0.00 H new ATOM 0 HB3 ARG B 78 -2.956 -10.655 4.809 1.00 0.00 H new ATOM 0 HG2 ARG B 78 -3.682 -8.615 6.153 1.00 0.00 H new ATOM 0 HG3 ARG B 78 -4.008 -7.819 4.626 1.00 0.00 H new ATOM 0 HD2 ARG B 78 -5.260 -10.414 5.592 1.00 0.00 H new ATOM 0 HD3 ARG B 78 -6.043 -8.847 5.549 1.00 0.00 H new ATOM 0 HE ARG B 78 -5.013 -9.896 2.971 1.00 0.00 H new ATOM 0 HH11 ARG B 78 -7.755 -9.290 5.121 1.00 0.00 H new ATOM 0 HH12 ARG B 78 -8.953 -9.505 3.840 1.00 0.00 H new ATOM 0 HH21 ARG B 78 -6.562 -10.179 1.338 1.00 0.00 H new ATOM 0 HH22 ARG B 78 -8.281 -10.006 1.710 1.00 0.00 H new ATOM 1281 N ILE B 79 -0.198 -9.698 2.756 1.00 0.00 N ATOM 1282 CA ILE B 79 0.746 -10.466 1.959 1.00 0.00 C ATOM 1283 C ILE B 79 2.167 -10.298 2.483 1.00 0.00 C ATOM 1284 O ILE B 79 2.896 -11.275 2.619 1.00 0.00 O ATOM 1285 CB ILE B 79 0.702 -10.057 0.473 1.00 0.00 C ATOM 1286 CG1 ILE B 79 -0.714 -10.212 -0.082 1.00 0.00 C ATOM 1287 CG2 ILE B 79 1.687 -10.890 -0.338 1.00 0.00 C ATOM 1288 CD1 ILE B 79 -0.849 -9.772 -1.522 1.00 0.00 C ATOM 0 H ILE B 79 -0.628 -8.918 2.259 1.00 0.00 H new ATOM 0 HA ILE B 79 0.451 -11.512 2.042 1.00 0.00 H new ATOM 0 HB ILE B 79 0.990 -9.009 0.394 1.00 0.00 H new ATOM 0 HG12 ILE B 79 -1.016 -11.256 0.000 1.00 0.00 H new ATOM 0 HG13 ILE B 79 -1.402 -9.632 0.533 1.00 0.00 H new ATOM 0 HG21 ILE B 79 1.643 -10.589 -1.385 1.00 0.00 H new ATOM 0 HG22 ILE B 79 2.696 -10.733 0.043 1.00 0.00 H new ATOM 0 HG23 ILE B 79 1.427 -11.945 -0.253 1.00 0.00 H new ATOM 0 HD11 ILE B 79 -1.879 -9.910 -1.849 1.00 0.00 H new ATOM 0 HD12 ILE B 79 -0.579 -8.720 -1.608 1.00 0.00 H new ATOM 0 HD13 ILE B 79 -0.186 -10.369 -2.149 1.00 0.00 H new ATOM 1300 N LEU B 80 2.560 -9.061 2.784 1.00 0.00 N ATOM 1301 CA LEU B 80 3.902 -8.805 3.308 1.00 0.00 C ATOM 1302 C LEU B 80 4.096 -9.476 4.662 1.00 0.00 C ATOM 1303 O LEU B 80 5.225 -9.763 5.067 1.00 0.00 O ATOM 1304 CB LEU B 80 4.202 -7.305 3.432 1.00 0.00 C ATOM 1305 CG LEU B 80 4.546 -6.571 2.127 1.00 0.00 C ATOM 1306 CD1 LEU B 80 5.454 -7.417 1.248 1.00 0.00 C ATOM 1307 CD2 LEU B 80 3.287 -6.164 1.385 1.00 0.00 C ATOM 0 H LEU B 80 1.978 -8.230 2.676 1.00 0.00 H new ATOM 0 HA LEU B 80 4.601 -9.231 2.589 1.00 0.00 H new ATOM 0 HB2 LEU B 80 3.336 -6.818 3.880 1.00 0.00 H new ATOM 0 HB3 LEU B 80 5.033 -7.178 4.126 1.00 0.00 H new ATOM 0 HG LEU B 80 5.088 -5.662 2.385 1.00 0.00 H new ATOM 0 HD11 LEU B 80 5.682 -6.874 0.331 1.00 0.00 H new ATOM 0 HD12 LEU B 80 6.380 -7.632 1.782 1.00 0.00 H new ATOM 0 HD13 LEU B 80 4.952 -8.352 1.000 1.00 0.00 H new ATOM 0 HD21 LEU B 80 3.558 -5.646 0.465 1.00 0.00 H new ATOM 0 HD22 LEU B 80 2.704 -7.053 1.143 1.00 0.00 H new ATOM 0 HD23 LEU B 80 2.693 -5.500 2.013 1.00 0.00 H new ATOM 1319 N SER B 81 3.001 -9.724 5.364 1.00 0.00 N ATOM 1320 CA SER B 81 3.067 -10.456 6.610 1.00 0.00 C ATOM 1321 C SER B 81 3.248 -11.943 6.307 1.00 0.00 C ATOM 1322 O SER B 81 4.174 -12.579 6.820 1.00 0.00 O ATOM 1323 CB SER B 81 1.800 -10.218 7.438 1.00 0.00 C ATOM 1324 OG SER B 81 1.909 -10.798 8.726 1.00 0.00 O ATOM 0 H SER B 81 2.063 -9.429 5.091 1.00 0.00 H new ATOM 0 HA SER B 81 3.917 -10.105 7.195 1.00 0.00 H new ATOM 0 HB2 SER B 81 1.621 -9.147 7.533 1.00 0.00 H new ATOM 0 HB3 SER B 81 0.939 -10.640 6.919 1.00 0.00 H new ATOM 0 HG SER B 81 1.087 -10.629 9.232 1.00 0.00 H new ATOM 1509 N LEU B 96 10.112 -13.167 -0.152 1.00 0.00 N ATOM 1510 CA LEU B 96 9.320 -13.795 -1.199 1.00 0.00 C ATOM 1511 C LEU B 96 7.943 -13.149 -1.253 1.00 0.00 C ATOM 1512 O LEU B 96 7.338 -13.035 -2.317 1.00 0.00 O ATOM 1513 CB LEU B 96 9.229 -15.319 -0.970 1.00 0.00 C ATOM 1514 CG LEU B 96 8.036 -15.839 -0.155 1.00 0.00 C ATOM 1515 CD1 LEU B 96 6.803 -16.014 -1.033 1.00 0.00 C ATOM 1516 CD2 LEU B 96 8.395 -17.155 0.507 1.00 0.00 C ATOM 0 HA LEU B 96 9.806 -13.643 -2.163 1.00 0.00 H new ATOM 0 HB2 LEU B 96 9.209 -15.806 -1.945 1.00 0.00 H new ATOM 0 HB3 LEU B 96 10.144 -15.640 -0.472 1.00 0.00 H new ATOM 0 HG LEU B 96 7.802 -15.101 0.613 1.00 0.00 H new ATOM 0 HD11 LEU B 96 5.975 -16.383 -0.428 1.00 0.00 H new ATOM 0 HD12 LEU B 96 6.531 -15.055 -1.474 1.00 0.00 H new ATOM 0 HD13 LEU B 96 7.020 -16.729 -1.826 1.00 0.00 H new ATOM 0 HD21 LEU B 96 7.543 -17.517 1.083 1.00 0.00 H new ATOM 0 HD22 LEU B 96 8.654 -17.888 -0.257 1.00 0.00 H new ATOM 0 HD23 LEU B 96 9.246 -17.008 1.172 1.00 0.00 H new ATOM 1528 N GLN B 97 7.467 -12.701 -0.093 1.00 0.00 N ATOM 1529 CA GLN B 97 6.172 -12.041 0.004 1.00 0.00 C ATOM 1530 C GLN B 97 6.173 -10.743 -0.794 1.00 0.00 C ATOM 1531 O GLN B 97 5.120 -10.267 -1.213 1.00 0.00 O ATOM 1532 CB GLN B 97 5.807 -11.766 1.465 1.00 0.00 C ATOM 1533 CG GLN B 97 5.628 -13.025 2.305 1.00 0.00 C ATOM 1534 CD GLN B 97 4.596 -13.982 1.731 1.00 0.00 C ATOM 1535 OE1 GLN B 97 4.691 -15.195 1.901 1.00 0.00 O ATOM 1536 NE2 GLN B 97 3.587 -13.444 1.067 1.00 0.00 N ATOM 0 H GLN B 97 7.963 -12.785 0.794 1.00 0.00 H new ATOM 0 HA GLN B 97 5.420 -12.709 -0.416 1.00 0.00 H new ATOM 0 HB2 GLN B 97 6.586 -11.149 1.914 1.00 0.00 H new ATOM 0 HB3 GLN B 97 4.884 -11.186 1.496 1.00 0.00 H new ATOM 0 HG2 GLN B 97 6.586 -13.539 2.387 1.00 0.00 H new ATOM 0 HG3 GLN B 97 5.331 -12.742 3.315 1.00 0.00 H new ATOM 0 HE21 GLN B 97 3.539 -12.433 0.944 1.00 0.00 H new ATOM 0 HE22 GLN B 97 2.857 -14.040 0.678 1.00 0.00 H new ATOM 1545 N LYS B 98 7.365 -10.182 -0.989 1.00 0.00 N ATOM 1546 CA LYS B 98 7.545 -9.017 -1.846 1.00 0.00 C ATOM 1547 C LYS B 98 6.909 -9.242 -3.214 1.00 0.00 C ATOM 1548 O LYS B 98 6.094 -8.442 -3.667 1.00 0.00 O ATOM 1549 CB LYS B 98 9.036 -8.722 -2.027 1.00 0.00 C ATOM 1550 CG LYS B 98 9.521 -7.475 -1.308 1.00 0.00 C ATOM 1551 CD LYS B 98 9.449 -7.611 0.203 1.00 0.00 C ATOM 1552 CE LYS B 98 9.885 -6.321 0.874 1.00 0.00 C ATOM 1553 NZ LYS B 98 9.895 -6.419 2.355 1.00 0.00 N1+ ATOM 0 H LYS B 98 8.226 -10.521 -0.560 1.00 0.00 H new ATOM 0 HA LYS B 98 7.057 -8.169 -1.366 1.00 0.00 H new ATOM 0 HB2 LYS B 98 9.609 -9.578 -1.671 1.00 0.00 H new ATOM 0 HB3 LYS B 98 9.247 -8.618 -3.091 1.00 0.00 H new ATOM 0 HG2 LYS B 98 10.550 -7.266 -1.602 1.00 0.00 H new ATOM 0 HG3 LYS B 98 8.920 -6.621 -1.622 1.00 0.00 H new ATOM 0 HD2 LYS B 98 8.431 -7.858 0.504 1.00 0.00 H new ATOM 0 HD3 LYS B 98 10.087 -8.432 0.531 1.00 0.00 H new ATOM 0 HE2 LYS B 98 10.883 -6.054 0.525 1.00 0.00 H new ATOM 0 HE3 LYS B 98 9.216 -5.515 0.572 1.00 0.00 H new ATOM 0 HZ1 LYS B 98 9.897 -5.464 2.766 1.00 0.00 H new ATOM 0 HZ2 LYS B 98 9.049 -6.932 2.675 1.00 0.00 H new ATOM 0 HZ3 LYS B 98 10.747 -6.930 2.663 1.00 0.00 H new ATOM 1567 N GLU B 99 7.272 -10.354 -3.847 1.00 0.00 N ATOM 1568 CA GLU B 99 6.810 -10.671 -5.194 1.00 0.00 C ATOM 1569 C GLU B 99 5.284 -10.710 -5.254 1.00 0.00 C ATOM 1570 O GLU B 99 4.665 -10.050 -6.089 1.00 0.00 O ATOM 1571 CB GLU B 99 7.379 -12.024 -5.631 1.00 0.00 C ATOM 1572 CG GLU B 99 7.923 -12.040 -7.052 1.00 0.00 C ATOM 1573 CD GLU B 99 6.897 -11.630 -8.086 1.00 0.00 C ATOM 1574 OE1 GLU B 99 6.016 -12.449 -8.417 1.00 0.00 O1- ATOM 1575 OE2 GLU B 99 6.972 -10.488 -8.583 1.00 0.00 O ATOM 0 H GLU B 99 7.891 -11.057 -3.443 1.00 0.00 H new ATOM 0 HA GLU B 99 7.161 -9.891 -5.869 1.00 0.00 H new ATOM 0 HB2 GLU B 99 8.177 -12.309 -4.945 1.00 0.00 H new ATOM 0 HB3 GLU B 99 6.598 -12.780 -5.544 1.00 0.00 H new ATOM 0 HG2 GLU B 99 8.780 -11.370 -7.114 1.00 0.00 H new ATOM 0 HG3 GLU B 99 8.284 -13.042 -7.285 1.00 0.00 H new ATOM 1582 N LEU B 100 4.683 -11.474 -4.350 1.00 0.00 N ATOM 1583 CA LEU B 100 3.232 -11.636 -4.324 1.00 0.00 C ATOM 1584 C LEU B 100 2.541 -10.308 -4.034 1.00 0.00 C ATOM 1585 O LEU B 100 1.464 -10.033 -4.561 1.00 0.00 O ATOM 1586 CB LEU B 100 2.813 -12.682 -3.282 1.00 0.00 C ATOM 1587 CG LEU B 100 3.133 -14.147 -3.622 1.00 0.00 C ATOM 1588 CD1 LEU B 100 2.579 -14.517 -4.990 1.00 0.00 C ATOM 1589 CD2 LEU B 100 4.629 -14.416 -3.563 1.00 0.00 C ATOM 0 H LEU B 100 5.177 -11.992 -3.624 1.00 0.00 H new ATOM 0 HA LEU B 100 2.922 -11.984 -5.310 1.00 0.00 H new ATOM 0 HB2 LEU B 100 3.297 -12.436 -2.337 1.00 0.00 H new ATOM 0 HB3 LEU B 100 1.738 -12.595 -3.122 1.00 0.00 H new ATOM 0 HG LEU B 100 2.650 -14.773 -2.871 1.00 0.00 H new ATOM 0 HD11 LEU B 100 2.817 -15.558 -5.210 1.00 0.00 H new ATOM 0 HD12 LEU B 100 1.497 -14.384 -4.993 1.00 0.00 H new ATOM 0 HD13 LEU B 100 3.025 -13.875 -5.749 1.00 0.00 H new ATOM 0 HD21 LEU B 100 4.821 -15.461 -3.808 1.00 0.00 H new ATOM 0 HD22 LEU B 100 5.143 -13.775 -4.279 1.00 0.00 H new ATOM 0 HD23 LEU B 100 4.997 -14.206 -2.559 1.00 0.00 H new ATOM 1601 N ALA B 101 3.173 -9.485 -3.208 1.00 0.00 N ATOM 1602 CA ALA B 101 2.635 -8.175 -2.885 1.00 0.00 C ATOM 1603 C ALA B 101 2.637 -7.274 -4.119 1.00 0.00 C ATOM 1604 O ALA B 101 1.643 -6.611 -4.410 1.00 0.00 O ATOM 1605 CB ALA B 101 3.423 -7.544 -1.745 1.00 0.00 C ATOM 0 H ALA B 101 4.058 -9.703 -2.751 1.00 0.00 H new ATOM 0 HA ALA B 101 1.602 -8.294 -2.558 1.00 0.00 H new ATOM 0 HB1 ALA B 101 3.008 -6.563 -1.515 1.00 0.00 H new ATOM 0 HB2 ALA B 101 3.360 -8.181 -0.863 1.00 0.00 H new ATOM 0 HB3 ALA B 101 4.467 -7.436 -2.040 1.00 0.00 H new ATOM 1611 N VAL B 102 3.745 -7.281 -4.860 1.00 0.00 N ATOM 1612 CA VAL B 102 3.858 -6.482 -6.081 1.00 0.00 C ATOM 1613 C VAL B 102 2.798 -6.905 -7.096 1.00 0.00 C ATOM 1614 O VAL B 102 2.247 -6.071 -7.816 1.00 0.00 O ATOM 1615 CB VAL B 102 5.256 -6.602 -6.733 1.00 0.00 C ATOM 1616 CG1 VAL B 102 5.339 -5.764 -8.000 1.00 0.00 C ATOM 1617 CG2 VAL B 102 6.347 -6.189 -5.762 1.00 0.00 C ATOM 0 H VAL B 102 4.576 -7.830 -4.637 1.00 0.00 H new ATOM 0 HA VAL B 102 3.705 -5.443 -5.790 1.00 0.00 H new ATOM 0 HB VAL B 102 5.407 -7.648 -6.998 1.00 0.00 H new ATOM 0 HG11 VAL B 102 6.331 -5.866 -8.439 1.00 0.00 H new ATOM 0 HG12 VAL B 102 4.590 -6.108 -8.713 1.00 0.00 H new ATOM 0 HG13 VAL B 102 5.155 -4.717 -7.757 1.00 0.00 H new ATOM 0 HG21 VAL B 102 7.319 -6.283 -6.246 1.00 0.00 H new ATOM 0 HG22 VAL B 102 6.191 -5.154 -5.458 1.00 0.00 H new ATOM 0 HG23 VAL B 102 6.315 -6.833 -4.883 1.00 0.00 H new ATOM 1627 N ASN B 103 2.498 -8.201 -7.122 1.00 0.00 N ATOM 1628 CA ASN B 103 1.502 -8.749 -8.045 1.00 0.00 C ATOM 1629 C ASN B 103 0.153 -8.059 -7.888 1.00 0.00 C ATOM 1630 O ASN B 103 -0.612 -7.948 -8.847 1.00 0.00 O ATOM 1631 CB ASN B 103 1.337 -10.256 -7.834 1.00 0.00 C ATOM 1632 CG ASN B 103 2.284 -11.078 -8.685 1.00 0.00 C ATOM 1633 OD1 ASN B 103 1.968 -11.430 -9.821 1.00 0.00 O ATOM 1634 ND2 ASN B 103 3.450 -11.385 -8.146 1.00 0.00 N ATOM 0 H ASN B 103 2.931 -8.895 -6.513 1.00 0.00 H new ATOM 0 HA ASN B 103 1.866 -8.566 -9.056 1.00 0.00 H new ATOM 0 HB2 ASN B 103 1.504 -10.491 -6.783 1.00 0.00 H new ATOM 0 HB3 ASN B 103 0.310 -10.540 -8.065 1.00 0.00 H new ATOM 0 HD21 ASN B 103 4.128 -11.934 -8.675 1.00 0.00 H new ATOM 0 HD22 ASN B 103 3.673 -11.073 -7.201 1.00 0.00 H new ATOM 1641 N TYR B 104 -0.138 -7.586 -6.686 1.00 0.00 N ATOM 1642 CA TYR B 104 -1.393 -6.901 -6.427 1.00 0.00 C ATOM 1643 C TYR B 104 -1.317 -5.446 -6.866 1.00 0.00 C ATOM 1644 O TYR B 104 -2.249 -4.931 -7.481 1.00 0.00 O ATOM 1645 CB TYR B 104 -1.771 -7.001 -4.951 1.00 0.00 C ATOM 1646 CG TYR B 104 -2.432 -8.312 -4.584 1.00 0.00 C ATOM 1647 CD1 TYR B 104 -1.855 -9.529 -4.928 1.00 0.00 C ATOM 1648 CD2 TYR B 104 -3.642 -8.330 -3.903 1.00 0.00 C ATOM 1649 CE1 TYR B 104 -2.464 -10.725 -4.602 1.00 0.00 C ATOM 1650 CE2 TYR B 104 -4.257 -9.522 -3.574 1.00 0.00 C ATOM 1651 CZ TYR B 104 -3.663 -10.717 -3.924 1.00 0.00 C ATOM 1652 OH TYR B 104 -4.272 -11.908 -3.600 1.00 0.00 O ATOM 0 H TYR B 104 0.477 -7.664 -5.876 1.00 0.00 H new ATOM 0 HA TYR B 104 -2.172 -7.391 -7.011 1.00 0.00 H new ATOM 0 HB2 TYR B 104 -0.874 -6.874 -4.345 1.00 0.00 H new ATOM 0 HB3 TYR B 104 -2.444 -6.181 -4.700 1.00 0.00 H new ATOM 0 HD1 TYR B 104 -0.915 -9.539 -5.459 1.00 0.00 H new ATOM 0 HD2 TYR B 104 -4.110 -7.397 -3.626 1.00 0.00 H new ATOM 0 HE1 TYR B 104 -2.002 -11.662 -4.877 1.00 0.00 H new ATOM 0 HE2 TYR B 104 -5.199 -9.519 -3.045 1.00 0.00 H new ATOM 0 HH TYR B 104 -5.109 -11.728 -3.123 1.00 0.00 H new ATOM 1662 N LEU B 105 -0.200 -4.789 -6.581 1.00 0.00 N ATOM 1663 CA LEU B 105 -0.024 -3.400 -6.993 1.00 0.00 C ATOM 1664 C LEU B 105 0.003 -3.294 -8.511 1.00 0.00 C ATOM 1665 O LEU B 105 -0.440 -2.299 -9.079 1.00 0.00 O ATOM 1666 CB LEU B 105 1.251 -2.786 -6.404 1.00 0.00 C ATOM 1667 CG LEU B 105 1.184 -2.373 -4.926 1.00 0.00 C ATOM 1668 CD1 LEU B 105 -0.026 -1.491 -4.664 1.00 0.00 C ATOM 1669 CD2 LEU B 105 1.162 -3.589 -4.016 1.00 0.00 C ATOM 0 H LEU B 105 0.589 -5.188 -6.073 1.00 0.00 H new ATOM 0 HA LEU B 105 -0.875 -2.838 -6.607 1.00 0.00 H new ATOM 0 HB2 LEU B 105 2.063 -3.503 -6.523 1.00 0.00 H new ATOM 0 HB3 LEU B 105 1.512 -1.907 -6.994 1.00 0.00 H new ATOM 0 HG LEU B 105 2.083 -1.799 -4.702 1.00 0.00 H new ATOM 0 HD11 LEU B 105 -0.051 -1.212 -3.611 1.00 0.00 H new ATOM 0 HD12 LEU B 105 0.040 -0.592 -5.276 1.00 0.00 H new ATOM 0 HD13 LEU B 105 -0.935 -2.036 -4.917 1.00 0.00 H new ATOM 0 HD21 LEU B 105 1.114 -3.265 -2.976 1.00 0.00 H new ATOM 0 HD22 LEU B 105 0.289 -4.200 -4.246 1.00 0.00 H new ATOM 0 HD23 LEU B 105 2.067 -4.176 -4.172 1.00 0.00 H new ATOM 1681 N ASN B 106 0.505 -4.332 -9.168 1.00 0.00 N ATOM 1682 CA ASN B 106 0.534 -4.371 -10.628 1.00 0.00 C ATOM 1683 C ASN B 106 -0.874 -4.358 -11.201 1.00 0.00 C ATOM 1684 O ASN B 106 -1.112 -3.817 -12.280 1.00 0.00 O ATOM 1685 CB ASN B 106 1.280 -5.604 -11.136 1.00 0.00 C ATOM 1686 CG ASN B 106 2.777 -5.495 -10.939 1.00 0.00 C ATOM 1687 OD1 ASN B 106 3.327 -4.396 -10.906 1.00 0.00 O ATOM 1688 ND2 ASN B 106 3.445 -6.627 -10.823 1.00 0.00 N ATOM 0 H ASN B 106 0.897 -5.158 -8.716 1.00 0.00 H new ATOM 0 HA ASN B 106 1.063 -3.479 -10.963 1.00 0.00 H new ATOM 0 HB2 ASN B 106 0.911 -6.488 -10.616 1.00 0.00 H new ATOM 0 HB3 ASN B 106 1.065 -5.744 -12.195 1.00 0.00 H new ATOM 0 HD21 ASN B 106 4.457 -6.611 -10.700 1.00 0.00 H new ATOM 0 HD22 ASN B 106 2.949 -7.518 -10.856 1.00 0.00 H new ATOM 1695 N THR B 107 -1.810 -4.943 -10.472 1.00 0.00 N ATOM 1696 CA THR B 107 -3.189 -4.999 -10.925 1.00 0.00 C ATOM 1697 C THR B 107 -3.967 -3.767 -10.473 1.00 0.00 C ATOM 1698 O THR B 107 -5.117 -3.570 -10.871 1.00 0.00 O ATOM 1699 CB THR B 107 -3.892 -6.278 -10.425 1.00 0.00 C ATOM 1700 OG1 THR B 107 -3.869 -6.346 -8.992 1.00 0.00 O ATOM 1701 CG2 THR B 107 -3.216 -7.514 -10.999 1.00 0.00 C ATOM 0 H THR B 107 -1.641 -5.384 -9.568 1.00 0.00 H new ATOM 0 HA THR B 107 -3.170 -5.019 -12.015 1.00 0.00 H new ATOM 0 HB THR B 107 -4.928 -6.243 -10.761 1.00 0.00 H new ATOM 0 HG1 THR B 107 -3.471 -5.526 -8.632 1.00 0.00 H new ATOM 0 HG21 THR B 107 -3.724 -8.408 -10.637 1.00 0.00 H new ATOM 0 HG22 THR B 107 -3.267 -7.484 -12.087 1.00 0.00 H new ATOM 0 HG23 THR B 107 -2.173 -7.537 -10.685 1.00 0.00 H new ATOM 1709 N LEU B 108 -3.327 -2.936 -9.650 1.00 0.00 N ATOM 1710 CA LEU B 108 -3.971 -1.736 -9.130 1.00 0.00 C ATOM 1711 C LEU B 108 -3.414 -0.479 -9.784 1.00 0.00 C ATOM 1712 O LEU B 108 -4.030 0.585 -9.718 1.00 0.00 O ATOM 1713 CB LEU B 108 -3.805 -1.638 -7.615 1.00 0.00 C ATOM 1714 CG LEU B 108 -4.347 -2.818 -6.814 1.00 0.00 C ATOM 1715 CD1 LEU B 108 -4.185 -2.565 -5.326 1.00 0.00 C ATOM 1716 CD2 LEU B 108 -5.807 -3.082 -7.161 1.00 0.00 C ATOM 0 H LEU B 108 -2.368 -3.073 -9.332 1.00 0.00 H new ATOM 0 HA LEU B 108 -5.032 -1.813 -9.368 1.00 0.00 H new ATOM 0 HB2 LEU B 108 -2.744 -1.526 -7.390 1.00 0.00 H new ATOM 0 HB3 LEU B 108 -4.301 -0.730 -7.271 1.00 0.00 H new ATOM 0 HG LEU B 108 -3.772 -3.706 -7.077 1.00 0.00 H new ATOM 0 HD11 LEU B 108 -4.576 -3.415 -4.768 1.00 0.00 H new ATOM 0 HD12 LEU B 108 -3.129 -2.432 -5.092 1.00 0.00 H new ATOM 0 HD13 LEU B 108 -4.734 -1.665 -5.048 1.00 0.00 H new ATOM 0 HD21 LEU B 108 -6.172 -3.927 -6.578 1.00 0.00 H new ATOM 0 HD22 LEU B 108 -6.401 -2.198 -6.930 1.00 0.00 H new ATOM 0 HD23 LEU B 108 -5.893 -3.310 -8.223 1.00 0.00 H new ATOM 1728 N ARG B 109 -2.241 -0.596 -10.394 1.00 0.00 N ATOM 1729 CA ARG B 109 -1.678 0.507 -11.157 1.00 0.00 C ATOM 1730 C ARG B 109 -2.341 0.564 -12.527 1.00 0.00 C ATOM 1731 O ARG B 109 -3.116 -0.327 -12.877 1.00 0.00 O ATOM 1732 CB ARG B 109 -0.154 0.369 -11.303 1.00 0.00 C ATOM 1733 CG ARG B 109 0.603 0.528 -9.992 1.00 0.00 C ATOM 1734 CD ARG B 109 2.110 0.590 -10.204 1.00 0.00 C ATOM 1735 NE ARG B 109 2.674 -0.683 -10.660 1.00 0.00 N ATOM 1736 CZ ARG B 109 3.872 -0.803 -11.245 1.00 0.00 C ATOM 1737 NH1 ARG B 109 4.612 0.276 -11.483 1.00 0.00 N1+ ATOM 1738 NH2 ARG B 109 4.328 -2.000 -11.586 1.00 0.00 N ATOM 0 H ARG B 109 -1.666 -1.438 -10.375 1.00 0.00 H new ATOM 0 HA ARG B 109 -1.872 1.435 -10.619 1.00 0.00 H new ATOM 0 HB2 ARG B 109 0.074 -0.608 -11.728 1.00 0.00 H new ATOM 0 HB3 ARG B 109 0.203 1.116 -12.012 1.00 0.00 H new ATOM 0 HG2 ARG B 109 0.270 1.436 -9.490 1.00 0.00 H new ATOM 0 HG3 ARG B 109 0.364 -0.306 -9.333 1.00 0.00 H new ATOM 0 HD2 ARG B 109 2.337 1.365 -10.936 1.00 0.00 H new ATOM 0 HD3 ARG B 109 2.592 0.881 -9.271 1.00 0.00 H new ATOM 0 HE ARG B 109 2.120 -1.529 -10.523 1.00 0.00 H new ATOM 0 HH11 ARG B 109 4.267 1.199 -11.220 1.00 0.00 H new ATOM 0 HH12 ARG B 109 5.524 0.180 -11.929 1.00 0.00 H new ATOM 0 HH21 ARG B 109 3.766 -2.831 -11.403 1.00 0.00 H new ATOM 0 HH22 ARG B 109 5.241 -2.090 -12.032 1.00 0.00 H new ATOM 1752 N TYR B 110 -2.048 1.607 -13.295 1.00 0.00 N ATOM 1753 CA TYR B 110 -2.640 1.759 -14.616 1.00 0.00 C ATOM 1754 C TYR B 110 -2.309 0.552 -15.487 1.00 0.00 C ATOM 1755 O TYR B 110 -1.178 0.062 -15.481 1.00 0.00 O ATOM 1756 CB TYR B 110 -2.156 3.048 -15.284 1.00 0.00 C ATOM 1757 CG TYR B 110 -2.794 3.295 -16.632 1.00 0.00 C ATOM 1758 CD1 TYR B 110 -4.142 3.611 -16.730 1.00 0.00 C ATOM 1759 CD2 TYR B 110 -2.055 3.199 -17.803 1.00 0.00 C ATOM 1760 CE1 TYR B 110 -4.736 3.827 -17.958 1.00 0.00 C ATOM 1761 CE2 TYR B 110 -2.642 3.411 -19.034 1.00 0.00 C ATOM 1762 CZ TYR B 110 -3.982 3.725 -19.106 1.00 0.00 C ATOM 1763 OH TYR B 110 -4.572 3.929 -20.334 1.00 0.00 O ATOM 0 H TYR B 110 -1.408 2.355 -13.027 1.00 0.00 H new ATOM 0 HA TYR B 110 -3.722 1.821 -14.501 1.00 0.00 H new ATOM 0 HB2 TYR B 110 -2.369 3.892 -14.628 1.00 0.00 H new ATOM 0 HB3 TYR B 110 -1.074 3.003 -15.404 1.00 0.00 H new ATOM 0 HD1 TYR B 110 -4.736 3.689 -15.831 1.00 0.00 H new ATOM 0 HD2 TYR B 110 -1.004 2.955 -17.750 1.00 0.00 H new ATOM 0 HE1 TYR B 110 -5.786 4.074 -18.018 1.00 0.00 H new ATOM 0 HE2 TYR B 110 -2.054 3.331 -19.936 1.00 0.00 H new ATOM 0 HH TYR B 110 -3.902 3.821 -21.041 1.00 0.00 H new ATOM 1773 N GLY B 111 -3.300 0.077 -16.226 1.00 0.00 N ATOM 1774 CA GLY B 111 -3.117 -1.113 -17.027 1.00 0.00 C ATOM 1775 C GLY B 111 -3.247 -2.373 -16.199 1.00 0.00 C ATOM 1776 O GLY B 111 -2.486 -3.325 -16.376 1.00 0.00 O ATOM 0 H GLY B 111 -4.228 0.496 -16.285 1.00 0.00 H new ATOM 0 HA2 GLY B 111 -3.854 -1.128 -17.830 1.00 0.00 H new ATOM 0 HA3 GLY B 111 -2.134 -1.087 -17.497 1.00 0.00 H new ATOM 1780 N GLY B 112 -4.198 -2.369 -15.277 1.00 0.00 N ATOM 1781 CA GLY B 112 -4.447 -3.538 -14.463 1.00 0.00 C ATOM 1782 C GLY B 112 -5.761 -4.197 -14.818 1.00 0.00 C ATOM 1783 O GLY B 112 -6.218 -4.104 -15.958 1.00 0.00 O ATOM 0 H GLY B 112 -4.804 -1.573 -15.078 1.00 0.00 H new ATOM 0 HA2 GLY B 112 -3.634 -4.253 -14.594 1.00 0.00 H new ATOM 0 HA3 GLY B 112 -4.455 -3.254 -13.411 1.00 0.00 H new ATOM 1787 N ILE B 113 -6.376 -4.852 -13.846 1.00 0.00 N ATOM 1788 CA ILE B 113 -7.648 -5.529 -14.068 1.00 0.00 C ATOM 1789 C ILE B 113 -8.754 -4.914 -13.223 1.00 0.00 C ATOM 1790 O ILE B 113 -9.885 -4.772 -13.679 1.00 0.00 O ATOM 1791 CB ILE B 113 -7.556 -7.042 -13.777 1.00 0.00 C ATOM 1792 CG1 ILE B 113 -6.869 -7.297 -12.431 1.00 0.00 C ATOM 1793 CG2 ILE B 113 -6.819 -7.747 -14.903 1.00 0.00 C ATOM 1794 CD1 ILE B 113 -6.788 -8.760 -12.054 1.00 0.00 C ATOM 0 H ILE B 113 -6.016 -4.930 -12.895 1.00 0.00 H new ATOM 0 HA ILE B 113 -7.890 -5.397 -15.123 1.00 0.00 H new ATOM 0 HB ILE B 113 -8.566 -7.447 -13.718 1.00 0.00 H new ATOM 0 HG12 ILE B 113 -5.861 -6.884 -12.464 1.00 0.00 H new ATOM 0 HG13 ILE B 113 -7.408 -6.760 -11.651 1.00 0.00 H new ATOM 0 HG21 ILE B 113 -6.760 -8.814 -14.687 1.00 0.00 H new ATOM 0 HG22 ILE B 113 -7.355 -7.595 -15.840 1.00 0.00 H new ATOM 0 HG23 ILE B 113 -5.812 -7.338 -14.991 1.00 0.00 H new ATOM 0 HD11 ILE B 113 -6.289 -8.860 -11.090 1.00 0.00 H new ATOM 0 HD12 ILE B 113 -7.794 -9.175 -11.987 1.00 0.00 H new ATOM 0 HD13 ILE B 113 -6.222 -9.301 -12.813 1.00 0.00 H new ATOM 1806 N HIS B 114 -8.424 -4.564 -11.987 1.00 0.00 N ATOM 1807 CA HIS B 114 -9.374 -3.917 -11.090 1.00 0.00 C ATOM 1808 C HIS B 114 -8.707 -2.707 -10.462 1.00 0.00 C ATOM 1809 O HIS B 114 -8.771 -2.501 -9.248 1.00 0.00 O ATOM 1810 CB HIS B 114 -9.838 -4.877 -9.986 1.00 0.00 C ATOM 1811 CG HIS B 114 -10.324 -6.203 -10.483 1.00 0.00 C ATOM 1812 ND1 HIS B 114 -9.815 -7.399 -10.034 1.00 0.00 N ATOM 1813 CD2 HIS B 114 -11.266 -6.521 -11.400 1.00 0.00 C ATOM 1814 CE1 HIS B 114 -10.421 -8.392 -10.650 1.00 0.00 C ATOM 1815 NE2 HIS B 114 -11.308 -7.889 -11.485 1.00 0.00 N ATOM 0 H HIS B 114 -7.501 -4.718 -11.581 1.00 0.00 H new ATOM 0 HA HIS B 114 -10.250 -3.615 -11.665 1.00 0.00 H new ATOM 0 HB2 HIS B 114 -9.012 -5.043 -9.295 1.00 0.00 H new ATOM 0 HB3 HIS B 114 -10.637 -4.400 -9.419 1.00 0.00 H new ATOM 0 HD2 HIS B 114 -11.873 -5.826 -11.961 1.00 0.00 H new ATOM 0 HE1 HIS B 114 -10.224 -9.443 -10.497 1.00 0.00 H new ATOM 0 HE2 HIS B 114 -11.924 -8.428 -12.094 1.00 0.00 H new ATOM 1824 N TYR B 115 -8.048 -1.918 -11.294 1.00 0.00 N ATOM 1825 CA TYR B 115 -7.219 -0.839 -10.799 1.00 0.00 C ATOM 1826 C TYR B 115 -8.061 0.381 -10.456 1.00 0.00 C ATOM 1827 O TYR B 115 -9.122 0.610 -11.038 1.00 0.00 O ATOM 1828 CB TYR B 115 -6.112 -0.491 -11.803 1.00 0.00 C ATOM 1829 CG TYR B 115 -6.502 0.500 -12.872 1.00 0.00 C ATOM 1830 CD1 TYR B 115 -6.355 1.864 -12.658 1.00 0.00 C ATOM 1831 CD2 TYR B 115 -7.003 0.077 -14.091 1.00 0.00 C ATOM 1832 CE1 TYR B 115 -6.700 2.779 -13.626 1.00 0.00 C ATOM 1833 CE2 TYR B 115 -7.351 0.985 -15.069 1.00 0.00 C ATOM 1834 CZ TYR B 115 -7.199 2.336 -14.832 1.00 0.00 C ATOM 1835 OH TYR B 115 -7.552 3.244 -15.805 1.00 0.00 O ATOM 0 H TYR B 115 -8.072 -2.006 -12.310 1.00 0.00 H new ATOM 0 HA TYR B 115 -6.737 -1.176 -9.881 1.00 0.00 H new ATOM 0 HB2 TYR B 115 -5.259 -0.092 -11.255 1.00 0.00 H new ATOM 0 HB3 TYR B 115 -5.780 -1.410 -12.286 1.00 0.00 H new ATOM 0 HD1 TYR B 115 -5.963 2.213 -11.714 1.00 0.00 H new ATOM 0 HD2 TYR B 115 -7.123 -0.980 -14.279 1.00 0.00 H new ATOM 0 HE1 TYR B 115 -6.581 3.837 -13.442 1.00 0.00 H new ATOM 0 HE2 TYR B 115 -7.741 0.640 -16.016 1.00 0.00 H new ATOM 0 HH TYR B 115 -6.759 3.492 -16.324 1.00 0.00 H new ATOM 1845 N ASN B 116 -7.576 1.152 -9.500 1.00 0.00 N ATOM 1846 CA ASN B 116 -8.284 2.326 -9.016 1.00 0.00 C ATOM 1847 C ASN B 116 -7.369 3.534 -9.087 1.00 0.00 C ATOM 1848 O ASN B 116 -6.175 3.444 -8.794 1.00 0.00 O ATOM 1849 CB ASN B 116 -8.763 2.091 -7.581 1.00 0.00 C ATOM 1850 CG ASN B 116 -9.960 1.156 -7.513 1.00 0.00 C ATOM 1851 OD1 ASN B 116 -11.108 1.597 -7.509 1.00 0.00 O ATOM 1852 ND2 ASN B 116 -9.702 -0.144 -7.473 1.00 0.00 N ATOM 0 H ASN B 116 -6.683 0.984 -9.037 1.00 0.00 H new ATOM 0 HA ASN B 116 -9.157 2.511 -9.642 1.00 0.00 H new ATOM 0 HB2 ASN B 116 -7.946 1.674 -6.992 1.00 0.00 H new ATOM 0 HB3 ASN B 116 -9.026 3.047 -7.128 1.00 0.00 H new ATOM 0 HD21 ASN B 116 -10.469 -0.815 -7.437 1.00 0.00 H new ATOM 0 HD22 ASN B 116 -8.736 -0.473 -7.478 1.00 0.00 H new ATOM 1859 N GLU B 117 -7.949 4.666 -9.484 1.00 0.00 N ATOM 1860 CA GLU B 117 -7.184 5.869 -9.798 1.00 0.00 C ATOM 1861 C GLU B 117 -6.406 6.378 -8.595 1.00 0.00 C ATOM 1862 O GLU B 117 -5.326 6.948 -8.749 1.00 0.00 O ATOM 1863 CB GLU B 117 -8.106 6.974 -10.319 1.00 0.00 C ATOM 1864 CG GLU B 117 -9.175 7.400 -9.328 1.00 0.00 C ATOM 1865 CD GLU B 117 -9.878 8.671 -9.744 1.00 0.00 C ATOM 1866 OE1 GLU B 117 -10.881 8.587 -10.481 1.00 0.00 O ATOM 1867 OE2 GLU B 117 -9.434 9.760 -9.329 1.00 0.00 O1- ATOM 0 H GLU B 117 -8.957 4.774 -9.596 1.00 0.00 H new ATOM 0 HA GLU B 117 -6.468 5.598 -10.574 1.00 0.00 H new ATOM 0 HB2 GLU B 117 -7.503 7.842 -10.584 1.00 0.00 H new ATOM 0 HB3 GLU B 117 -8.589 6.630 -11.234 1.00 0.00 H new ATOM 0 HG2 GLU B 117 -9.909 6.600 -9.224 1.00 0.00 H new ATOM 0 HG3 GLU B 117 -8.720 7.545 -8.348 1.00 0.00 H new ATOM 1874 N ALA B 118 -6.950 6.169 -7.402 1.00 0.00 N ATOM 1875 CA ALA B 118 -6.300 6.627 -6.187 1.00 0.00 C ATOM 1876 C ALA B 118 -5.099 5.756 -5.855 1.00 0.00 C ATOM 1877 O ALA B 118 -4.151 6.217 -5.235 1.00 0.00 O ATOM 1878 CB ALA B 118 -7.280 6.654 -5.030 1.00 0.00 C ATOM 0 H ALA B 118 -7.836 5.687 -7.253 1.00 0.00 H new ATOM 0 HA ALA B 118 -5.945 7.644 -6.356 1.00 0.00 H new ATOM 0 HB1 ALA B 118 -6.771 7.000 -4.130 1.00 0.00 H new ATOM 0 HB2 ALA B 118 -8.102 7.330 -5.265 1.00 0.00 H new ATOM 0 HB3 ALA B 118 -7.672 5.651 -4.862 1.00 0.00 H new ATOM 1884 N ILE B 119 -5.133 4.497 -6.283 1.00 0.00 N ATOM 1885 CA ILE B 119 -3.999 3.601 -6.084 1.00 0.00 C ATOM 1886 C ILE B 119 -2.911 3.927 -7.099 1.00 0.00 C ATOM 1887 O ILE B 119 -1.718 3.889 -6.790 1.00 0.00 O ATOM 1888 CB ILE B 119 -4.388 2.111 -6.225 1.00 0.00 C ATOM 1889 CG1 ILE B 119 -5.545 1.756 -5.284 1.00 0.00 C ATOM 1890 CG2 ILE B 119 -3.181 1.227 -5.934 1.00 0.00 C ATOM 1891 CD1 ILE B 119 -5.181 1.823 -3.817 1.00 0.00 C ATOM 0 H ILE B 119 -5.927 4.077 -6.766 1.00 0.00 H new ATOM 0 HA ILE B 119 -3.641 3.755 -5.066 1.00 0.00 H new ATOM 0 HB ILE B 119 -4.718 1.937 -7.249 1.00 0.00 H new ATOM 0 HG12 ILE B 119 -6.377 2.434 -5.474 1.00 0.00 H new ATOM 0 HG13 ILE B 119 -5.895 0.750 -5.517 1.00 0.00 H new ATOM 0 HG21 ILE B 119 -3.464 0.179 -6.036 1.00 0.00 H new ATOM 0 HG22 ILE B 119 -2.383 1.457 -6.640 1.00 0.00 H new ATOM 0 HG23 ILE B 119 -2.831 1.411 -4.918 1.00 0.00 H new ATOM 0 HD11 ILE B 119 -6.050 1.559 -3.214 1.00 0.00 H new ATOM 0 HD12 ILE B 119 -4.370 1.124 -3.611 1.00 0.00 H new ATOM 0 HD13 ILE B 119 -4.860 2.834 -3.568 1.00 0.00 H new ATOM 1903 N GLU B 120 -3.340 4.250 -8.314 1.00 0.00 N ATOM 1904 CA GLU B 120 -2.428 4.664 -9.368 1.00 0.00 C ATOM 1905 C GLU B 120 -1.671 5.915 -8.924 1.00 0.00 C ATOM 1906 O GLU B 120 -0.437 5.948 -8.951 1.00 0.00 O ATOM 1907 CB GLU B 120 -3.221 4.913 -10.659 1.00 0.00 C ATOM 1908 CG GLU B 120 -2.375 5.041 -11.921 1.00 0.00 C ATOM 1909 CD GLU B 120 -1.727 6.402 -12.081 1.00 0.00 C ATOM 1910 OE1 GLU B 120 -2.405 7.422 -11.836 1.00 0.00 O ATOM 1911 OE2 GLU B 120 -0.545 6.456 -12.479 1.00 0.00 O1- ATOM 0 H GLU B 120 -4.321 4.232 -8.592 1.00 0.00 H new ATOM 0 HA GLU B 120 -1.697 3.879 -9.565 1.00 0.00 H new ATOM 0 HB2 GLU B 120 -3.929 4.096 -10.796 1.00 0.00 H new ATOM 0 HB3 GLU B 120 -3.806 5.825 -10.538 1.00 0.00 H new ATOM 0 HG2 GLU B 120 -1.598 4.277 -11.906 1.00 0.00 H new ATOM 0 HG3 GLU B 120 -3.002 4.842 -12.790 1.00 0.00 H new ATOM 1918 N GLU B 121 -2.413 6.925 -8.476 1.00 0.00 N ATOM 1919 CA GLU B 121 -1.809 8.154 -7.975 1.00 0.00 C ATOM 1920 C GLU B 121 -1.028 7.895 -6.693 1.00 0.00 C ATOM 1921 O GLU B 121 0.022 8.495 -6.475 1.00 0.00 O ATOM 1922 CB GLU B 121 -2.868 9.229 -7.731 1.00 0.00 C ATOM 1923 CG GLU B 121 -3.540 9.711 -9.002 1.00 0.00 C ATOM 1924 CD GLU B 121 -4.414 10.925 -8.779 1.00 0.00 C ATOM 1925 OE1 GLU B 121 -3.883 12.057 -8.804 1.00 0.00 O ATOM 1926 OE2 GLU B 121 -5.634 10.758 -8.587 1.00 0.00 O1- ATOM 0 H GLU B 121 -3.433 6.915 -8.450 1.00 0.00 H new ATOM 0 HA GLU B 121 -1.119 8.513 -8.738 1.00 0.00 H new ATOM 0 HB2 GLU B 121 -3.626 8.835 -7.055 1.00 0.00 H new ATOM 0 HB3 GLU B 121 -2.404 10.078 -7.229 1.00 0.00 H new ATOM 0 HG2 GLU B 121 -2.777 9.950 -9.743 1.00 0.00 H new ATOM 0 HG3 GLU B 121 -4.145 8.904 -9.416 1.00 0.00 H new ATOM 1933 N PHE B 122 -1.545 6.999 -5.851 1.00 0.00 N ATOM 1934 CA PHE B 122 -0.854 6.595 -4.628 1.00 0.00 C ATOM 1935 C PHE B 122 0.566 6.176 -4.954 1.00 0.00 C ATOM 1936 O PHE B 122 1.525 6.692 -4.386 1.00 0.00 O ATOM 1937 CB PHE B 122 -1.595 5.432 -3.958 1.00 0.00 C ATOM 1938 CG PHE B 122 -0.978 4.957 -2.670 1.00 0.00 C ATOM 1939 CD1 PHE B 122 -1.296 5.569 -1.468 1.00 0.00 C ATOM 1940 CD2 PHE B 122 -0.084 3.896 -2.662 1.00 0.00 C ATOM 1941 CE1 PHE B 122 -0.731 5.134 -0.283 1.00 0.00 C ATOM 1942 CE2 PHE B 122 0.483 3.458 -1.481 1.00 0.00 C ATOM 1943 CZ PHE B 122 0.159 4.077 -0.289 1.00 0.00 C ATOM 0 H PHE B 122 -2.444 6.538 -5.996 1.00 0.00 H new ATOM 0 HA PHE B 122 -0.832 7.442 -3.942 1.00 0.00 H new ATOM 0 HB2 PHE B 122 -2.623 5.737 -3.763 1.00 0.00 H new ATOM 0 HB3 PHE B 122 -1.638 4.595 -4.655 1.00 0.00 H new ATOM 0 HD1 PHE B 122 -1.992 6.394 -1.457 1.00 0.00 H new ATOM 0 HD2 PHE B 122 0.172 3.407 -3.590 1.00 0.00 H new ATOM 0 HE1 PHE B 122 -0.985 5.620 0.647 1.00 0.00 H new ATOM 0 HE2 PHE B 122 1.179 2.632 -1.489 1.00 0.00 H new ATOM 0 HZ PHE B 122 0.600 3.736 0.636 1.00 0.00 H new ATOM 1953 N CYS B 123 0.684 5.251 -5.894 1.00 0.00 N ATOM 1954 CA CYS B 123 1.978 4.766 -6.327 1.00 0.00 C ATOM 1955 C CYS B 123 2.823 5.911 -6.871 1.00 0.00 C ATOM 1956 O CYS B 123 3.985 6.049 -6.510 1.00 0.00 O ATOM 1957 CB CYS B 123 1.808 3.683 -7.393 1.00 0.00 C ATOM 1958 SG CYS B 123 0.814 2.272 -6.856 1.00 0.00 S ATOM 0 H CYS B 123 -0.108 4.821 -6.372 1.00 0.00 H new ATOM 0 HA CYS B 123 2.491 4.335 -5.467 1.00 0.00 H new ATOM 0 HB2 CYS B 123 1.345 4.125 -8.275 1.00 0.00 H new ATOM 0 HB3 CYS B 123 2.793 3.327 -7.695 1.00 0.00 H new ATOM 0 HG CYS B 123 -0.428 2.637 -6.736 1.00 0.00 H new ATOM 1964 N GLN B 124 2.222 6.751 -7.711 1.00 0.00 N ATOM 1965 CA GLN B 124 2.957 7.836 -8.364 1.00 0.00 C ATOM 1966 C GLN B 124 3.518 8.823 -7.347 1.00 0.00 C ATOM 1967 O GLN B 124 4.720 9.088 -7.329 1.00 0.00 O ATOM 1968 CB GLN B 124 2.064 8.583 -9.355 1.00 0.00 C ATOM 1969 CG GLN B 124 1.596 7.740 -10.527 1.00 0.00 C ATOM 1970 CD GLN B 124 2.732 7.061 -11.259 1.00 0.00 C ATOM 1971 OE1 GLN B 124 3.355 7.642 -12.149 1.00 0.00 O ATOM 1972 NE2 GLN B 124 2.975 5.813 -10.920 1.00 0.00 N ATOM 0 H GLN B 124 1.233 6.703 -7.956 1.00 0.00 H new ATOM 0 HA GLN B 124 3.788 7.379 -8.902 1.00 0.00 H new ATOM 0 HB2 GLN B 124 1.191 8.964 -8.825 1.00 0.00 H new ATOM 0 HB3 GLN B 124 2.608 9.447 -9.737 1.00 0.00 H new ATOM 0 HG2 GLN B 124 0.899 6.983 -10.167 1.00 0.00 H new ATOM 0 HG3 GLN B 124 1.047 8.372 -11.226 1.00 0.00 H new ATOM 0 HE21 GLN B 124 2.434 5.372 -10.176 1.00 0.00 H new ATOM 0 HE22 GLN B 124 3.705 5.287 -11.401 1.00 0.00 H new ATOM 1981 N ILE B 125 2.640 9.355 -6.508 1.00 0.00 N ATOM 1982 CA ILE B 125 3.019 10.352 -5.513 1.00 0.00 C ATOM 1983 C ILE B 125 4.015 9.770 -4.515 1.00 0.00 C ATOM 1984 O ILE B 125 5.000 10.413 -4.150 1.00 0.00 O ATOM 1985 CB ILE B 125 1.773 10.868 -4.757 1.00 0.00 C ATOM 1986 CG1 ILE B 125 0.779 11.483 -5.748 1.00 0.00 C ATOM 1987 CG2 ILE B 125 2.168 11.886 -3.692 1.00 0.00 C ATOM 1988 CD1 ILE B 125 -0.588 11.746 -5.158 1.00 0.00 C ATOM 0 H ILE B 125 1.650 9.110 -6.496 1.00 0.00 H new ATOM 0 HA ILE B 125 3.489 11.184 -6.038 1.00 0.00 H new ATOM 0 HB ILE B 125 1.296 10.026 -4.256 1.00 0.00 H new ATOM 0 HG12 ILE B 125 1.188 12.421 -6.124 1.00 0.00 H new ATOM 0 HG13 ILE B 125 0.673 10.816 -6.603 1.00 0.00 H new ATOM 0 HG21 ILE B 125 1.275 12.235 -3.173 1.00 0.00 H new ATOM 0 HG22 ILE B 125 2.845 11.420 -2.976 1.00 0.00 H new ATOM 0 HG23 ILE B 125 2.667 12.732 -4.165 1.00 0.00 H new ATOM 0 HD11 ILE B 125 -1.235 12.181 -5.919 1.00 0.00 H new ATOM 0 HD12 ILE B 125 -1.020 10.808 -4.807 1.00 0.00 H new ATOM 0 HD13 ILE B 125 -0.496 12.438 -4.321 1.00 0.00 H new ATOM 2000 N LEU B 126 3.764 8.537 -4.099 1.00 0.00 N ATOM 2001 CA LEU B 126 4.595 7.888 -3.102 1.00 0.00 C ATOM 2002 C LEU B 126 5.970 7.530 -3.661 1.00 0.00 C ATOM 2003 O LEU B 126 6.995 7.873 -3.067 1.00 0.00 O ATOM 2004 CB LEU B 126 3.906 6.633 -2.576 1.00 0.00 C ATOM 2005 CG LEU B 126 4.661 5.908 -1.469 1.00 0.00 C ATOM 2006 CD1 LEU B 126 4.945 6.857 -0.322 1.00 0.00 C ATOM 2007 CD2 LEU B 126 3.874 4.701 -0.996 1.00 0.00 C ATOM 0 H LEU B 126 2.989 7.967 -4.439 1.00 0.00 H new ATOM 0 HA LEU B 126 4.738 8.593 -2.283 1.00 0.00 H new ATOM 0 HB2 LEU B 126 2.918 6.906 -2.205 1.00 0.00 H new ATOM 0 HB3 LEU B 126 3.755 5.943 -3.406 1.00 0.00 H new ATOM 0 HG LEU B 126 5.614 5.555 -1.863 1.00 0.00 H new ATOM 0 HD11 LEU B 126 5.485 6.328 0.463 1.00 0.00 H new ATOM 0 HD12 LEU B 126 5.550 7.690 -0.680 1.00 0.00 H new ATOM 0 HD13 LEU B 126 4.005 7.237 0.077 1.00 0.00 H new ATOM 0 HD21 LEU B 126 4.426 4.194 -0.205 1.00 0.00 H new ATOM 0 HD22 LEU B 126 2.907 5.025 -0.612 1.00 0.00 H new ATOM 0 HD23 LEU B 126 3.723 4.016 -1.830 1.00 0.00 H new ATOM 2019 N LEU B 127 5.999 6.855 -4.809 1.00 0.00 N ATOM 2020 CA LEU B 127 7.262 6.384 -5.365 1.00 0.00 C ATOM 2021 C LEU B 127 8.133 7.568 -5.750 1.00 0.00 C ATOM 2022 O LEU B 127 9.360 7.469 -5.761 1.00 0.00 O ATOM 2023 CB LEU B 127 7.041 5.448 -6.575 1.00 0.00 C ATOM 2024 CG LEU B 127 6.698 6.112 -7.922 1.00 0.00 C ATOM 2025 CD1 LEU B 127 7.962 6.543 -8.657 1.00 0.00 C ATOM 2026 CD2 LEU B 127 5.887 5.162 -8.792 1.00 0.00 C ATOM 0 H LEU B 127 5.174 6.626 -5.364 1.00 0.00 H new ATOM 0 HA LEU B 127 7.773 5.802 -4.598 1.00 0.00 H new ATOM 0 HB2 LEU B 127 7.944 4.853 -6.711 1.00 0.00 H new ATOM 0 HB3 LEU B 127 6.237 4.756 -6.325 1.00 0.00 H new ATOM 0 HG LEU B 127 6.101 7.000 -7.716 1.00 0.00 H new ATOM 0 HD11 LEU B 127 7.691 7.009 -9.605 1.00 0.00 H new ATOM 0 HD12 LEU B 127 8.512 7.258 -8.046 1.00 0.00 H new ATOM 0 HD13 LEU B 127 8.588 5.671 -8.847 1.00 0.00 H new ATOM 0 HD21 LEU B 127 5.653 5.647 -9.740 1.00 0.00 H new ATOM 0 HD22 LEU B 127 6.465 4.257 -8.980 1.00 0.00 H new ATOM 0 HD23 LEU B 127 4.961 4.901 -8.280 1.00 0.00 H new ATOM 2038 N ASP B 128 7.484 8.685 -6.056 1.00 0.00 N ATOM 2039 CA ASP B 128 8.182 9.903 -6.441 1.00 0.00 C ATOM 2040 C ASP B 128 9.187 10.290 -5.369 1.00 0.00 C ATOM 2041 O ASP B 128 10.378 10.415 -5.637 1.00 0.00 O ATOM 2042 CB ASP B 128 7.185 11.045 -6.649 1.00 0.00 C ATOM 2043 CG ASP B 128 7.820 12.267 -7.285 1.00 0.00 C ATOM 2044 OD1 ASP B 128 8.517 13.023 -6.581 1.00 0.00 O ATOM 2045 OD2 ASP B 128 7.619 12.475 -8.500 1.00 0.00 O1- ATOM 0 H ASP B 128 6.468 8.771 -6.044 1.00 0.00 H new ATOM 0 HA ASP B 128 8.709 9.719 -7.377 1.00 0.00 H new ATOM 0 HB2 ASP B 128 6.366 10.697 -7.278 1.00 0.00 H new ATOM 0 HB3 ASP B 128 6.752 11.324 -5.688 1.00 0.00 H new ATOM 2050 N LYS B 129 8.708 10.422 -4.142 1.00 0.00 N ATOM 2051 CA LYS B 129 9.554 10.871 -3.049 1.00 0.00 C ATOM 2052 C LYS B 129 10.397 9.720 -2.499 1.00 0.00 C ATOM 2053 O LYS B 129 11.460 9.942 -1.924 1.00 0.00 O ATOM 2054 CB LYS B 129 8.707 11.503 -1.943 1.00 0.00 C ATOM 2055 CG LYS B 129 7.742 12.567 -2.448 1.00 0.00 C ATOM 2056 CD LYS B 129 8.438 13.573 -3.353 1.00 0.00 C ATOM 2057 CE LYS B 129 7.442 14.513 -4.011 1.00 0.00 C ATOM 2058 NZ LYS B 129 8.051 15.239 -5.156 1.00 0.00 N1+ ATOM 0 H LYS B 129 7.742 10.225 -3.879 1.00 0.00 H new ATOM 0 HA LYS B 129 10.236 11.628 -3.435 1.00 0.00 H new ATOM 0 HB2 LYS B 129 8.140 10.720 -1.438 1.00 0.00 H new ATOM 0 HB3 LYS B 129 9.368 11.948 -1.199 1.00 0.00 H new ATOM 0 HG2 LYS B 129 6.927 12.090 -2.993 1.00 0.00 H new ATOM 0 HG3 LYS B 129 7.297 13.087 -1.600 1.00 0.00 H new ATOM 0 HD2 LYS B 129 9.156 14.151 -2.771 1.00 0.00 H new ATOM 0 HD3 LYS B 129 9.002 13.044 -4.121 1.00 0.00 H new ATOM 0 HE2 LYS B 129 6.578 13.945 -4.357 1.00 0.00 H new ATOM 0 HE3 LYS B 129 7.078 15.231 -3.276 1.00 0.00 H new ATOM 0 HZ1 LYS B 129 7.463 16.062 -5.398 1.00 0.00 H new ATOM 0 HZ2 LYS B 129 9.005 15.560 -4.895 1.00 0.00 H new ATOM 0 HZ3 LYS B 129 8.112 14.604 -5.977 1.00 0.00 H new ATOM 2072 N LEU B 130 9.925 8.490 -2.693 1.00 0.00 N ATOM 2073 CA LEU B 130 10.688 7.309 -2.296 1.00 0.00 C ATOM 2074 C LEU B 130 11.897 7.101 -3.204 1.00 0.00 C ATOM 2075 O LEU B 130 12.882 6.484 -2.802 1.00 0.00 O ATOM 2076 CB LEU B 130 9.810 6.056 -2.310 1.00 0.00 C ATOM 2077 CG LEU B 130 8.863 5.899 -1.119 1.00 0.00 C ATOM 2078 CD1 LEU B 130 7.969 4.688 -1.313 1.00 0.00 C ATOM 2079 CD2 LEU B 130 9.651 5.765 0.176 1.00 0.00 C ATOM 0 H LEU B 130 9.022 8.286 -3.121 1.00 0.00 H new ATOM 0 HA LEU B 130 11.041 7.480 -1.279 1.00 0.00 H new ATOM 0 HB2 LEU B 130 9.217 6.060 -3.225 1.00 0.00 H new ATOM 0 HB3 LEU B 130 10.458 5.181 -2.354 1.00 0.00 H new ATOM 0 HG LEU B 130 8.239 6.791 -1.056 1.00 0.00 H new ATOM 0 HD11 LEU B 130 7.300 4.589 -0.458 1.00 0.00 H new ATOM 0 HD12 LEU B 130 7.380 4.812 -2.222 1.00 0.00 H new ATOM 0 HD13 LEU B 130 8.584 3.792 -1.399 1.00 0.00 H new ATOM 0 HD21 LEU B 130 8.961 5.654 1.012 1.00 0.00 H new ATOM 0 HD22 LEU B 130 10.297 4.889 0.120 1.00 0.00 H new ATOM 0 HD23 LEU B 130 10.261 6.656 0.325 1.00 0.00 H new ATOM 2091 N ASN B 131 11.820 7.598 -4.430 1.00 0.00 N ATOM 2092 CA ASN B 131 12.958 7.537 -5.338 1.00 0.00 C ATOM 2093 C ASN B 131 13.753 8.832 -5.303 1.00 0.00 C ATOM 2094 O ASN B 131 14.929 8.860 -5.662 1.00 0.00 O ATOM 2095 CB ASN B 131 12.515 7.231 -6.772 1.00 0.00 C ATOM 2096 CG ASN B 131 12.162 5.769 -6.975 1.00 0.00 C ATOM 2097 OD1 ASN B 131 13.027 4.946 -7.273 1.00 0.00 O ATOM 2098 ND2 ASN B 131 10.891 5.435 -6.826 1.00 0.00 N ATOM 0 H ASN B 131 10.989 8.045 -4.817 1.00 0.00 H new ATOM 0 HA ASN B 131 13.599 6.724 -4.998 1.00 0.00 H new ATOM 0 HB2 ASN B 131 11.651 7.847 -7.021 1.00 0.00 H new ATOM 0 HB3 ASN B 131 13.313 7.507 -7.461 1.00 0.00 H new ATOM 0 HD21 ASN B 131 10.599 4.467 -6.959 1.00 0.00 H new ATOM 0 HD22 ASN B 131 10.203 6.146 -6.578 1.00 0.00 H new ATOM 2105 N ALA B 132 13.117 9.898 -4.843 1.00 0.00 N ATOM 2106 CA ALA B 132 13.767 11.202 -4.774 1.00 0.00 C ATOM 2107 C ALA B 132 14.565 11.351 -3.490 1.00 0.00 C ATOM 2108 O ALA B 132 15.185 12.386 -3.246 1.00 0.00 O ATOM 2109 CB ALA B 132 12.746 12.323 -4.896 1.00 0.00 C ATOM 0 H ALA B 132 12.152 9.888 -4.512 1.00 0.00 H new ATOM 0 HA ALA B 132 14.459 11.271 -5.613 1.00 0.00 H new ATOM 0 HB1 ALA B 132 13.254 13.286 -4.842 1.00 0.00 H new ATOM 0 HB2 ALA B 132 12.227 12.240 -5.851 1.00 0.00 H new ATOM 0 HB3 ALA B 132 12.024 12.248 -4.083 1.00 0.00 H new