USER MOD reduce.3.24.130724 H: found=0, std=0, add=1176, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1179 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 68 SER OG : rot -72:sc= -0.869 USER MOD Set 1.2: B 14 TYR OH : rot 37:sc= 1.25 USER MOD Single : A 2 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0141) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 13:sc= 0.866 USER MOD Single : A 20 SER OG : rot 170:sc= -2.3 USER MOD Single : A 21 HIS : no HD1:sc= -2.81! C(o=-2.8!,f=-2.3!) USER MOD Single : A 25 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.17) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.712 K(o=-0.71,f=-1.6) USER MOD Single : A 31 SER OG : rot -105:sc= 0.758 USER MOD Single : A 38 ASN : amide:sc= 0.134 X(o=0.13,f=-0.027) USER MOD Single : A 40 GLN : amide:sc= -0.0168 X(o=-0.017,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= -0.27 K(o=-0.27,f=-2.3!) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.0244 USER MOD Single : A 53 THR OG1 : rot -110:sc= -0.717 USER MOD Single : A 55 ASN : amide:sc= -0.97 K(o=-0.97,f=-3.5!) USER MOD Single : A 56 MET CE :methyl 142:sc= -2.27 (180deg=-4.4!) USER MOD Single : A 57 SER OG : rot 180:sc= -0.422 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.0811 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0605 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl 168:sc= -0.0128 (180deg=-0.238) USER MOD Single : A 77 GLN : amide:sc= -0.109 X(o=-0.11,f=0) USER MOD Single : B 1 THR N :NH3+ 157:sc= 0.114 (180deg=0.0046) USER MOD Single : B 1 THR OG1 : rot 180:sc= 0.0808 USER MOD Single : B 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 4 THR OG1 : rot 180:sc= 0 USER MOD Single : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 20 SER OG : rot 155:sc= -0.35 USER MOD Single : B 21 HIS :FLIP no HE2:sc= -1.89! C(o=-2.5!,f=-1.9!) USER MOD Single : B 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 28 SER OG : rot 180:sc= 0 USER MOD Single : B 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 31 SER OG : rot -59:sc= -0.717 USER MOD Single : B 38 ASN : amide:sc= -0.271 X(o=-0.27,f=-0.2) USER MOD Single : B 40 GLN : amide:sc= -0.0602 K(o=-0.06,f=-0.81) USER MOD Single : B 47 LYS NZ :NH3+ -153:sc= -0.21 (180deg=-1.24) USER MOD Single : B 49 ASN :FLIP amide:sc= -1.8 F(o=-4.1!,f=-1.8) USER MOD Single : B 51 THR OG1 : rot 77:sc= -0.0152 USER MOD Single : B 53 THR OG1 : rot 150:sc= 0 USER MOD Single : B 55 ASN : amide:sc= -1.41 K(o=-1.4,f=-3.7!) USER MOD Single : B 56 MET CE :methyl 163:sc= -3.35 (180deg=-3.55!) USER MOD Single : B 57 SER OG : rot 180:sc= 0 USER MOD Single : B 59 THR OG1 : rot 180:sc= 0.0633 USER MOD Single : B 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 63 THR OG1 : rot 180:sc= -0.0078 USER MOD Single : B 68 SER OG : rot 140:sc= -0.0101 USER MOD Single : B 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 74 MET CE :methyl 148:sc= -0.156 (180deg=-1.74) USER MOD Single : B 77 GLN : amide:sc= -0.559 X(o=-0.56,f=-0.39) USER MOD ----------------------------------------------------------------- ATOM 17 N LYS A 2 15.550 -3.076 4.973 1.00 0.00 N ATOM 18 CA LYS A 2 16.058 -1.742 5.284 1.00 0.00 C ATOM 19 C LYS A 2 16.811 -1.155 4.091 1.00 0.00 C ATOM 20 O LYS A 2 17.670 -1.813 3.506 1.00 0.00 O ATOM 21 CB LYS A 2 16.980 -1.796 6.506 1.00 0.00 C ATOM 22 CG LYS A 2 16.282 -2.256 7.775 1.00 0.00 C ATOM 23 CD LYS A 2 17.248 -2.323 8.947 1.00 0.00 C ATOM 24 CE LYS A 2 16.518 -2.286 10.281 1.00 0.00 C ATOM 25 NZ LYS A 2 16.048 -0.913 10.623 1.00 0.00 N ATOM 0 HA LYS A 2 15.207 -1.099 5.507 1.00 0.00 H new ATOM 0 HB2 LYS A 2 17.811 -2.469 6.294 1.00 0.00 H new ATOM 0 HB3 LYS A 2 17.406 -0.807 6.674 1.00 0.00 H new ATOM 0 HG2 LYS A 2 15.467 -1.572 8.012 1.00 0.00 H new ATOM 0 HG3 LYS A 2 15.837 -3.238 7.612 1.00 0.00 H new ATOM 0 HD2 LYS A 2 17.838 -3.237 8.880 1.00 0.00 H new ATOM 0 HD3 LYS A 2 17.946 -1.488 8.891 1.00 0.00 H new ATOM 0 HE2 LYS A 2 15.664 -2.963 10.246 1.00 0.00 H new ATOM 0 HE3 LYS A 2 17.181 -2.649 11.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 15.662 -0.909 11.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 16.846 -0.249 10.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 15.307 -0.623 9.953 1.00 0.00 H new ATOM 39 N VAL A 3 16.478 0.087 3.738 1.00 0.00 N ATOM 40 CA VAL A 3 17.118 0.767 2.614 1.00 0.00 C ATOM 41 C VAL A 3 18.074 1.854 3.097 1.00 0.00 C ATOM 42 O VAL A 3 17.649 2.851 3.682 1.00 0.00 O ATOM 43 CB VAL A 3 16.071 1.400 1.671 1.00 0.00 C ATOM 44 CG1 VAL A 3 16.732 1.909 0.399 1.00 0.00 C ATOM 45 CG2 VAL A 3 14.966 0.404 1.342 1.00 0.00 C ATOM 0 H VAL A 3 15.768 0.642 4.215 1.00 0.00 H new ATOM 0 HA VAL A 3 17.681 0.011 2.067 1.00 0.00 H new ATOM 0 HB VAL A 3 15.620 2.249 2.185 1.00 0.00 H new ATOM 0 HG11 VAL A 3 15.977 2.351 -0.251 1.00 0.00 H new ATOM 0 HG12 VAL A 3 17.478 2.662 0.653 1.00 0.00 H new ATOM 0 HG13 VAL A 3 17.215 1.079 -0.117 1.00 0.00 H new ATOM 0 HG21 VAL A 3 14.240 0.872 0.677 1.00 0.00 H new ATOM 0 HG22 VAL A 3 15.397 -0.469 0.852 1.00 0.00 H new ATOM 0 HG23 VAL A 3 14.469 0.095 2.262 1.00 0.00 H new ATOM 55 N THR A 4 19.369 1.655 2.848 1.00 0.00 N ATOM 56 CA THR A 4 20.385 2.621 3.256 1.00 0.00 C ATOM 57 C THR A 4 21.108 3.210 2.043 1.00 0.00 C ATOM 58 O THR A 4 21.680 2.478 1.231 1.00 0.00 O ATOM 59 CB THR A 4 21.393 1.971 4.210 1.00 0.00 C ATOM 60 OG1 THR A 4 20.780 0.947 4.980 1.00 0.00 O ATOM 61 CG2 THR A 4 22.018 2.953 5.176 1.00 0.00 C ATOM 0 H THR A 4 19.737 0.834 2.366 1.00 0.00 H new ATOM 0 HA THR A 4 19.881 3.434 3.778 1.00 0.00 H new ATOM 0 HB THR A 4 22.173 1.565 3.566 1.00 0.00 H new ATOM 0 HG1 THR A 4 21.444 0.547 5.579 1.00 0.00 H new ATOM 0 HG21 THR A 4 22.722 2.429 5.823 1.00 0.00 H new ATOM 0 HG22 THR A 4 22.545 3.727 4.618 1.00 0.00 H new ATOM 0 HG23 THR A 4 21.238 3.412 5.784 1.00 0.00 H new ATOM 69 N LEU A 5 21.072 4.538 1.933 1.00 0.00 N ATOM 70 CA LEU A 5 21.716 5.251 0.827 1.00 0.00 C ATOM 71 C LEU A 5 22.746 6.248 1.352 1.00 0.00 C ATOM 72 O LEU A 5 22.703 6.640 2.519 1.00 0.00 O ATOM 73 CB LEU A 5 20.669 5.988 -0.014 1.00 0.00 C ATOM 74 CG LEU A 5 19.680 5.093 -0.767 1.00 0.00 C ATOM 75 CD1 LEU A 5 20.418 4.039 -1.583 1.00 0.00 C ATOM 76 CD2 LEU A 5 18.705 4.437 0.201 1.00 0.00 C ATOM 0 H LEU A 5 20.600 5.147 2.602 1.00 0.00 H new ATOM 0 HA LEU A 5 22.225 4.516 0.203 1.00 0.00 H new ATOM 0 HB2 LEU A 5 20.105 6.653 0.640 1.00 0.00 H new ATOM 0 HB3 LEU A 5 21.187 6.617 -0.738 1.00 0.00 H new ATOM 0 HG LEU A 5 19.111 5.719 -1.455 1.00 0.00 H new ATOM 0 HD11 LEU A 5 19.696 3.415 -2.109 1.00 0.00 H new ATOM 0 HD12 LEU A 5 21.069 4.529 -2.307 1.00 0.00 H new ATOM 0 HD13 LEU A 5 21.018 3.418 -0.918 1.00 0.00 H new ATOM 0 HD21 LEU A 5 18.011 3.806 -0.354 1.00 0.00 H new ATOM 0 HD22 LEU A 5 19.257 3.828 0.917 1.00 0.00 H new ATOM 0 HD23 LEU A 5 18.148 5.207 0.734 1.00 0.00 H new ATOM 88 N VAL A 6 23.673 6.659 0.486 1.00 0.00 N ATOM 89 CA VAL A 6 24.710 7.612 0.871 1.00 0.00 C ATOM 90 C VAL A 6 24.776 8.787 -0.105 1.00 0.00 C ATOM 91 O VAL A 6 25.323 8.667 -1.202 1.00 0.00 O ATOM 92 CB VAL A 6 26.100 6.943 0.950 1.00 0.00 C ATOM 93 CG1 VAL A 6 27.100 7.866 1.634 1.00 0.00 C ATOM 94 CG2 VAL A 6 26.013 5.610 1.681 1.00 0.00 C ATOM 0 H VAL A 6 23.726 6.347 -0.484 1.00 0.00 H new ATOM 0 HA VAL A 6 24.439 7.981 1.860 1.00 0.00 H new ATOM 0 HB VAL A 6 26.448 6.754 -0.066 1.00 0.00 H new ATOM 0 HG11 VAL A 6 28.073 7.378 1.680 1.00 0.00 H new ATOM 0 HG12 VAL A 6 27.186 8.793 1.067 1.00 0.00 H new ATOM 0 HG13 VAL A 6 26.757 8.089 2.644 1.00 0.00 H new ATOM 0 HG21 VAL A 6 27.002 5.155 1.726 1.00 0.00 H new ATOM 0 HG22 VAL A 6 25.642 5.773 2.693 1.00 0.00 H new ATOM 0 HG23 VAL A 6 25.332 4.946 1.148 1.00 0.00 H new ATOM 104 N LYS A 7 24.221 9.927 0.310 1.00 0.00 N ATOM 105 CA LYS A 7 24.217 11.137 -0.515 1.00 0.00 C ATOM 106 C LYS A 7 25.464 11.979 -0.250 1.00 0.00 C ATOM 107 O LYS A 7 25.379 13.170 0.055 1.00 0.00 O ATOM 108 CB LYS A 7 22.958 11.955 -0.236 1.00 0.00 C ATOM 109 CG LYS A 7 22.551 12.878 -1.376 1.00 0.00 C ATOM 110 CD LYS A 7 22.438 14.322 -0.911 1.00 0.00 C ATOM 111 CE LYS A 7 21.031 14.647 -0.431 1.00 0.00 C ATOM 112 NZ LYS A 7 20.778 16.115 -0.398 1.00 0.00 N ATOM 0 H LYS A 7 23.767 10.038 1.216 1.00 0.00 H new ATOM 0 HA LYS A 7 24.223 10.840 -1.564 1.00 0.00 H new ATOM 0 HB2 LYS A 7 22.135 11.273 -0.023 1.00 0.00 H new ATOM 0 HB3 LYS A 7 23.117 12.552 0.662 1.00 0.00 H new ATOM 0 HG2 LYS A 7 23.284 12.810 -2.180 1.00 0.00 H new ATOM 0 HG3 LYS A 7 21.596 12.551 -1.787 1.00 0.00 H new ATOM 0 HD2 LYS A 7 23.149 14.502 -0.105 1.00 0.00 H new ATOM 0 HD3 LYS A 7 22.708 14.990 -1.729 1.00 0.00 H new ATOM 0 HE2 LYS A 7 20.304 14.169 -1.088 1.00 0.00 H new ATOM 0 HE3 LYS A 7 20.883 14.231 0.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 19.809 16.293 -0.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 21.454 16.569 0.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 20.894 16.509 -1.354 1.00 0.00 H new ATOM 212 N GLU A 13 21.992 13.246 -6.539 1.00 0.00 N ATOM 213 CA GLU A 13 20.857 12.994 -5.651 1.00 0.00 C ATOM 214 C GLU A 13 20.449 11.521 -5.683 1.00 0.00 C ATOM 215 O GLU A 13 20.989 10.731 -6.460 1.00 0.00 O ATOM 216 CB GLU A 13 19.665 13.876 -6.039 1.00 0.00 C ATOM 217 CG GLU A 13 19.468 15.068 -5.112 1.00 0.00 C ATOM 218 CD GLU A 13 18.022 15.523 -5.016 1.00 0.00 C ATOM 219 OE1 GLU A 13 17.114 14.675 -5.148 1.00 0.00 O ATOM 220 OE2 GLU A 13 17.798 16.733 -4.804 1.00 0.00 O ATOM 0 HA GLU A 13 21.167 13.243 -4.636 1.00 0.00 H new ATOM 0 HB2 GLU A 13 19.806 14.237 -7.058 1.00 0.00 H new ATOM 0 HB3 GLU A 13 18.759 13.270 -6.038 1.00 0.00 H new ATOM 0 HG2 GLU A 13 19.826 14.808 -4.116 1.00 0.00 H new ATOM 0 HG3 GLU A 13 20.080 15.898 -5.464 1.00 0.00 H new ATOM 227 N TYR A 14 19.489 11.161 -4.831 1.00 0.00 N ATOM 228 CA TYR A 14 19.002 9.780 -4.756 1.00 0.00 C ATOM 229 C TYR A 14 18.297 9.365 -6.049 1.00 0.00 C ATOM 230 O TYR A 14 18.333 8.193 -6.429 1.00 0.00 O ATOM 231 CB TYR A 14 18.052 9.606 -3.569 1.00 0.00 C ATOM 232 CG TYR A 14 18.632 10.074 -2.251 1.00 0.00 C ATOM 233 CD1 TYR A 14 19.588 9.318 -1.582 1.00 0.00 C ATOM 234 CD2 TYR A 14 18.225 11.272 -1.679 1.00 0.00 C ATOM 235 CE1 TYR A 14 20.121 9.745 -0.381 1.00 0.00 C ATOM 236 CE2 TYR A 14 18.754 11.706 -0.480 1.00 0.00 C ATOM 237 CZ TYR A 14 19.699 10.940 0.166 1.00 0.00 C ATOM 238 OH TYR A 14 20.225 11.374 1.362 1.00 0.00 O ATOM 0 H TYR A 14 19.033 11.804 -4.184 1.00 0.00 H new ATOM 0 HA TYR A 14 19.870 9.135 -4.616 1.00 0.00 H new ATOM 0 HB2 TYR A 14 17.133 10.157 -3.767 1.00 0.00 H new ATOM 0 HB3 TYR A 14 17.781 8.554 -3.483 1.00 0.00 H new ATOM 0 HD1 TYR A 14 19.919 8.382 -2.008 1.00 0.00 H new ATOM 0 HD2 TYR A 14 17.482 11.874 -2.181 1.00 0.00 H new ATOM 0 HE1 TYR A 14 20.863 9.147 0.127 1.00 0.00 H new ATOM 0 HE2 TYR A 14 18.428 12.642 -0.050 1.00 0.00 H new ATOM 0 HH TYR A 14 21.016 10.840 1.584 1.00 0.00 H new ATOM 248 N GLY A 15 17.656 10.331 -6.717 1.00 0.00 N ATOM 249 CA GLY A 15 16.952 10.047 -7.958 1.00 0.00 C ATOM 250 C GLY A 15 15.908 8.955 -7.804 1.00 0.00 C ATOM 251 O GLY A 15 15.860 8.020 -8.602 1.00 0.00 O ATOM 0 H GLY A 15 17.614 11.305 -6.417 1.00 0.00 H new ATOM 0 HA2 GLY A 15 16.470 10.957 -8.314 1.00 0.00 H new ATOM 0 HA3 GLY A 15 17.673 9.750 -8.720 1.00 0.00 H new ATOM 255 N LEU A 16 15.073 9.070 -6.773 1.00 0.00 N ATOM 256 CA LEU A 16 14.027 8.081 -6.524 1.00 0.00 C ATOM 257 C LEU A 16 12.642 8.717 -6.610 1.00 0.00 C ATOM 258 O LEU A 16 12.348 9.686 -5.907 1.00 0.00 O ATOM 259 CB LEU A 16 14.227 7.413 -5.156 1.00 0.00 C ATOM 260 CG LEU A 16 14.226 8.360 -3.951 1.00 0.00 C ATOM 261 CD1 LEU A 16 12.846 8.414 -3.311 1.00 0.00 C ATOM 262 CD2 LEU A 16 15.267 7.925 -2.930 1.00 0.00 C ATOM 0 H LEU A 16 15.100 9.835 -6.099 1.00 0.00 H new ATOM 0 HA LEU A 16 14.098 7.315 -7.296 1.00 0.00 H new ATOM 0 HB2 LEU A 16 13.440 6.673 -5.014 1.00 0.00 H new ATOM 0 HB3 LEU A 16 15.174 6.873 -5.170 1.00 0.00 H new ATOM 0 HG LEU A 16 14.481 9.360 -4.302 1.00 0.00 H new ATOM 0 HD11 LEU A 16 12.867 9.092 -2.458 1.00 0.00 H new ATOM 0 HD12 LEU A 16 12.120 8.772 -4.041 1.00 0.00 H new ATOM 0 HD13 LEU A 16 12.561 7.417 -2.975 1.00 0.00 H new ATOM 0 HD21 LEU A 16 15.252 8.609 -2.081 1.00 0.00 H new ATOM 0 HD22 LEU A 16 15.040 6.916 -2.587 1.00 0.00 H new ATOM 0 HD23 LEU A 16 16.255 7.939 -3.390 1.00 0.00 H new ATOM 274 N ARG A 17 11.796 8.161 -7.475 1.00 0.00 N ATOM 275 CA ARG A 17 10.438 8.663 -7.656 1.00 0.00 C ATOM 276 C ARG A 17 9.555 8.244 -6.486 1.00 0.00 C ATOM 277 O ARG A 17 9.267 7.061 -6.306 1.00 0.00 O ATOM 278 CB ARG A 17 9.847 8.153 -8.973 1.00 0.00 C ATOM 279 CG ARG A 17 9.807 9.203 -10.071 1.00 0.00 C ATOM 280 CD ARG A 17 8.804 10.302 -9.757 1.00 0.00 C ATOM 281 NE ARG A 17 9.142 11.561 -10.424 1.00 0.00 N ATOM 282 CZ ARG A 17 8.579 12.737 -10.134 1.00 0.00 C ATOM 283 NH1 ARG A 17 7.640 12.823 -9.196 1.00 0.00 N ATOM 284 NH2 ARG A 17 8.950 13.829 -10.792 1.00 0.00 N ATOM 0 H ARG A 17 12.029 7.360 -8.062 1.00 0.00 H new ATOM 0 HA ARG A 17 10.477 9.752 -7.692 1.00 0.00 H new ATOM 0 HB2 ARG A 17 10.433 7.301 -9.318 1.00 0.00 H new ATOM 0 HB3 ARG A 17 8.835 7.791 -8.791 1.00 0.00 H new ATOM 0 HG2 ARG A 17 10.798 9.639 -10.195 1.00 0.00 H new ATOM 0 HG3 ARG A 17 9.546 8.731 -11.018 1.00 0.00 H new ATOM 0 HD2 ARG A 17 7.809 9.984 -10.067 1.00 0.00 H new ATOM 0 HD3 ARG A 17 8.767 10.461 -8.679 1.00 0.00 H new ATOM 0 HE ARG A 17 9.852 11.539 -11.156 1.00 0.00 H new ATOM 0 HH11 ARG A 17 7.345 11.987 -8.692 1.00 0.00 H new ATOM 0 HH12 ARG A 17 7.215 13.725 -8.981 1.00 0.00 H new ATOM 0 HH21 ARG A 17 9.664 13.769 -11.518 1.00 0.00 H new ATOM 0 HH22 ARG A 17 8.521 14.728 -10.572 1.00 0.00 H new ATOM 298 N LEU A 18 9.142 9.221 -5.687 1.00 0.00 N ATOM 299 CA LEU A 18 8.304 8.957 -4.525 1.00 0.00 C ATOM 300 C LEU A 18 6.834 9.253 -4.818 1.00 0.00 C ATOM 301 O LEU A 18 6.499 10.299 -5.378 1.00 0.00 O ATOM 302 CB LEU A 18 8.788 9.800 -3.339 1.00 0.00 C ATOM 303 CG LEU A 18 8.491 9.227 -1.949 1.00 0.00 C ATOM 304 CD1 LEU A 18 6.993 9.211 -1.686 1.00 0.00 C ATOM 305 CD2 LEU A 18 9.080 7.830 -1.808 1.00 0.00 C ATOM 0 H LEU A 18 9.375 10.205 -5.824 1.00 0.00 H new ATOM 0 HA LEU A 18 8.386 7.899 -4.278 1.00 0.00 H new ATOM 0 HB2 LEU A 18 9.865 9.939 -3.432 1.00 0.00 H new ATOM 0 HB3 LEU A 18 8.332 10.788 -3.409 1.00 0.00 H new ATOM 0 HG LEU A 18 8.960 9.870 -1.204 1.00 0.00 H new ATOM 0 HD11 LEU A 18 6.802 8.801 -0.694 1.00 0.00 H new ATOM 0 HD12 LEU A 18 6.603 10.228 -1.739 1.00 0.00 H new ATOM 0 HD13 LEU A 18 6.499 8.593 -2.436 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.859 7.440 -0.814 1.00 0.00 H new ATOM 0 HD22 LEU A 18 8.644 7.173 -2.561 1.00 0.00 H new ATOM 0 HD23 LEU A 18 10.160 7.875 -1.948 1.00 0.00 H new ATOM 317 N ALA A 19 5.964 8.323 -4.426 1.00 0.00 N ATOM 318 CA ALA A 19 4.524 8.467 -4.628 1.00 0.00 C ATOM 319 C ALA A 19 3.761 8.090 -3.358 1.00 0.00 C ATOM 320 O ALA A 19 4.360 7.653 -2.373 1.00 0.00 O ATOM 321 CB ALA A 19 4.069 7.609 -5.797 1.00 0.00 C ATOM 0 H ALA A 19 6.235 7.455 -3.963 1.00 0.00 H new ATOM 0 HA ALA A 19 4.309 9.511 -4.857 1.00 0.00 H new ATOM 0 HB1 ALA A 19 2.994 7.725 -5.937 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.589 7.922 -6.702 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.297 6.563 -5.591 1.00 0.00 H new ATOM 327 N SER A 20 2.438 8.262 -3.378 1.00 0.00 N ATOM 328 CA SER A 20 1.615 7.936 -2.215 1.00 0.00 C ATOM 329 C SER A 20 0.284 7.305 -2.620 1.00 0.00 C ATOM 330 O SER A 20 -0.240 7.569 -3.704 1.00 0.00 O ATOM 331 CB SER A 20 1.363 9.187 -1.370 1.00 0.00 C ATOM 332 OG SER A 20 0.780 10.225 -2.141 1.00 0.00 O ATOM 0 H SER A 20 1.919 8.622 -4.179 1.00 0.00 H new ATOM 0 HA SER A 20 2.166 7.205 -1.623 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.706 8.938 -0.536 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.303 9.534 -0.942 1.00 0.00 H new ATOM 0 HG SER A 20 0.484 10.946 -1.548 1.00 0.00 H new ATOM 338 N HIS A 21 -0.256 6.474 -1.730 1.00 0.00 N ATOM 339 CA HIS A 21 -1.528 5.800 -1.967 1.00 0.00 C ATOM 340 C HIS A 21 -2.555 6.201 -0.906 1.00 0.00 C ATOM 341 O HIS A 21 -2.243 6.960 0.014 1.00 0.00 O ATOM 342 CB HIS A 21 -1.329 4.281 -1.950 1.00 0.00 C ATOM 343 CG HIS A 21 -1.400 3.657 -3.305 1.00 0.00 C ATOM 344 ND1 HIS A 21 -2.301 2.668 -3.635 1.00 0.00 N ATOM 345 CD2 HIS A 21 -0.673 3.891 -4.419 1.00 0.00 C ATOM 346 CE1 HIS A 21 -2.124 2.320 -4.896 1.00 0.00 C ATOM 347 NE2 HIS A 21 -1.141 3.048 -5.394 1.00 0.00 N ATOM 0 H HIS A 21 0.173 6.251 -0.832 1.00 0.00 H new ATOM 0 HA HIS A 21 -1.901 6.102 -2.946 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -0.361 4.054 -1.504 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -2.088 3.830 -1.310 1.00 0.00 H new ATOM 0 HD2 HIS A 21 0.128 4.608 -4.523 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -2.687 1.568 -5.429 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -0.787 2.992 -6.349 1.00 0.00 H new ATOM 356 N ILE A 22 -3.777 5.687 -1.036 1.00 0.00 N ATOM 357 CA ILE A 22 -4.840 5.996 -0.085 1.00 0.00 C ATOM 358 C ILE A 22 -5.563 4.729 0.366 1.00 0.00 C ATOM 359 O ILE A 22 -5.804 3.822 -0.432 1.00 0.00 O ATOM 360 CB ILE A 22 -5.866 6.981 -0.691 1.00 0.00 C ATOM 361 CG1 ILE A 22 -5.157 8.225 -1.238 1.00 0.00 C ATOM 362 CG2 ILE A 22 -6.909 7.376 0.344 1.00 0.00 C ATOM 363 CD1 ILE A 22 -4.507 9.082 -0.172 1.00 0.00 C ATOM 0 H ILE A 22 -4.054 5.057 -1.789 1.00 0.00 H new ATOM 0 HA ILE A 22 -4.368 6.463 0.779 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.374 6.481 -1.515 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.396 7.912 -1.952 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.879 8.830 -1.786 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -7.621 8.069 -0.103 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -7.436 6.486 0.687 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.418 7.856 1.191 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -4.027 9.942 -0.639 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.266 9.427 0.530 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -3.760 8.495 0.361 1.00 0.00 H new ATOM 375 N PHE A 23 -5.907 4.671 1.653 1.00 0.00 N ATOM 376 CA PHE A 23 -6.604 3.513 2.207 1.00 0.00 C ATOM 377 C PHE A 23 -7.519 3.915 3.366 1.00 0.00 C ATOM 378 O PHE A 23 -7.551 5.078 3.773 1.00 0.00 O ATOM 379 CB PHE A 23 -5.598 2.453 2.671 1.00 0.00 C ATOM 380 CG PHE A 23 -4.827 2.844 3.902 1.00 0.00 C ATOM 381 CD1 PHE A 23 -3.864 3.838 3.844 1.00 0.00 C ATOM 382 CD2 PHE A 23 -5.067 2.219 5.116 1.00 0.00 C ATOM 383 CE1 PHE A 23 -3.157 4.201 4.972 1.00 0.00 C ATOM 384 CE2 PHE A 23 -4.361 2.579 6.247 1.00 0.00 C ATOM 385 CZ PHE A 23 -3.404 3.571 6.175 1.00 0.00 C ATOM 0 H PHE A 23 -5.714 5.411 2.328 1.00 0.00 H new ATOM 0 HA PHE A 23 -7.225 3.091 1.417 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -6.130 1.522 2.868 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -4.895 2.254 1.862 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -3.664 4.334 2.906 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -5.814 1.442 5.178 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -2.410 4.979 4.914 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -4.558 2.085 7.187 1.00 0.00 H new ATOM 0 HZ PHE A 23 -2.850 3.854 7.058 1.00 0.00 H new ATOM 395 N VAL A 24 -8.258 2.940 3.894 1.00 0.00 N ATOM 396 CA VAL A 24 -9.172 3.179 5.006 1.00 0.00 C ATOM 397 C VAL A 24 -8.574 2.678 6.319 1.00 0.00 C ATOM 398 O VAL A 24 -8.501 1.471 6.556 1.00 0.00 O ATOM 399 CB VAL A 24 -10.537 2.491 4.775 1.00 0.00 C ATOM 400 CG1 VAL A 24 -11.533 2.877 5.859 1.00 0.00 C ATOM 401 CG2 VAL A 24 -11.086 2.835 3.397 1.00 0.00 C ATOM 0 H VAL A 24 -8.240 1.974 3.567 1.00 0.00 H new ATOM 0 HA VAL A 24 -9.327 4.256 5.066 1.00 0.00 H new ATOM 0 HB VAL A 24 -10.383 1.413 4.825 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -12.485 2.379 5.673 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -11.148 2.572 6.832 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -11.680 3.957 5.850 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -12.047 2.341 3.254 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -11.217 3.914 3.317 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -10.387 2.497 2.632 1.00 0.00 H new ATOM 411 N LYS A 25 -8.149 3.613 7.168 1.00 0.00 N ATOM 412 CA LYS A 25 -7.559 3.269 8.463 1.00 0.00 C ATOM 413 C LYS A 25 -8.540 2.470 9.327 1.00 0.00 C ATOM 414 O LYS A 25 -8.134 1.576 10.070 1.00 0.00 O ATOM 415 CB LYS A 25 -7.121 4.538 9.204 1.00 0.00 C ATOM 416 CG LYS A 25 -6.212 4.274 10.398 1.00 0.00 C ATOM 417 CD LYS A 25 -4.750 4.555 10.070 1.00 0.00 C ATOM 418 CE LYS A 25 -3.942 4.880 11.321 1.00 0.00 C ATOM 419 NZ LYS A 25 -4.189 3.908 12.426 1.00 0.00 N ATOM 0 H LYS A 25 -8.202 4.615 6.983 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.685 2.645 8.275 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -6.604 5.195 8.505 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.008 5.071 9.546 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -6.523 4.898 11.236 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.320 3.237 10.715 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -4.316 3.688 9.572 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.688 5.389 9.370 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.880 4.883 11.074 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -4.193 5.885 11.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.489 4.055 13.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -5.146 4.052 12.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.105 2.938 12.060 1.00 0.00 H new ATOM 433 N GLU A 26 -9.829 2.802 9.224 1.00 0.00 N ATOM 434 CA GLU A 26 -10.871 2.122 9.994 1.00 0.00 C ATOM 435 C GLU A 26 -12.258 2.619 9.593 1.00 0.00 C ATOM 436 O GLU A 26 -12.387 3.548 8.795 1.00 0.00 O ATOM 437 CB GLU A 26 -10.662 2.348 11.496 1.00 0.00 C ATOM 438 CG GLU A 26 -10.256 1.093 12.256 1.00 0.00 C ATOM 439 CD GLU A 26 -9.899 1.373 13.705 1.00 0.00 C ATOM 440 OE1 GLU A 26 -9.307 2.439 13.978 1.00 0.00 O ATOM 441 OE2 GLU A 26 -10.211 0.524 14.567 1.00 0.00 O ATOM 0 H GLU A 26 -10.176 3.541 8.612 1.00 0.00 H new ATOM 0 HA GLU A 26 -10.803 1.056 9.777 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.895 3.110 11.636 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.583 2.740 11.927 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -11.073 0.372 12.220 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -9.402 0.633 11.759 1.00 0.00 H new ATOM 448 N ILE A 27 -13.292 2.000 10.158 1.00 0.00 N ATOM 449 CA ILE A 27 -14.671 2.390 9.868 1.00 0.00 C ATOM 450 C ILE A 27 -15.467 2.580 11.158 1.00 0.00 C ATOM 451 O ILE A 27 -15.357 1.783 12.091 1.00 0.00 O ATOM 452 CB ILE A 27 -15.390 1.352 8.977 1.00 0.00 C ATOM 453 CG1 ILE A 27 -14.540 1.015 7.747 1.00 0.00 C ATOM 454 CG2 ILE A 27 -16.756 1.874 8.548 1.00 0.00 C ATOM 455 CD1 ILE A 27 -13.967 -0.383 7.772 1.00 0.00 C ATOM 0 H ILE A 27 -13.202 1.228 10.818 1.00 0.00 H new ATOM 0 HA ILE A 27 -14.621 3.335 9.327 1.00 0.00 H new ATOM 0 HB ILE A 27 -15.532 0.441 9.559 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -15.150 1.133 6.851 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -13.723 1.732 7.673 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -17.249 1.131 7.921 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -17.366 2.066 9.431 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -16.632 2.799 7.985 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -13.377 -0.551 6.871 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -13.330 -0.500 8.649 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -14.779 -1.108 7.814 1.00 0.00 H new ATOM 467 N SER A 28 -16.270 3.642 11.199 1.00 0.00 N ATOM 468 CA SER A 28 -17.090 3.948 12.371 1.00 0.00 C ATOM 469 C SER A 28 -18.322 3.044 12.424 1.00 0.00 C ATOM 470 O SER A 28 -18.844 2.633 11.387 1.00 0.00 O ATOM 471 CB SER A 28 -17.525 5.416 12.349 1.00 0.00 C ATOM 472 OG SER A 28 -16.417 6.280 12.147 1.00 0.00 O ATOM 0 H SER A 28 -16.371 4.307 10.432 1.00 0.00 H new ATOM 0 HA SER A 28 -16.487 3.768 13.261 1.00 0.00 H new ATOM 0 HB2 SER A 28 -18.257 5.569 11.556 1.00 0.00 H new ATOM 0 HB3 SER A 28 -18.017 5.666 13.289 1.00 0.00 H new ATOM 0 HG SER A 28 -16.725 7.210 12.136 1.00 0.00 H new ATOM 478 N GLN A 29 -18.783 2.738 13.639 1.00 0.00 N ATOM 479 CA GLN A 29 -19.959 1.883 13.819 1.00 0.00 C ATOM 480 C GLN A 29 -21.248 2.644 13.517 1.00 0.00 C ATOM 481 O GLN A 29 -21.294 3.873 13.613 1.00 0.00 O ATOM 482 CB GLN A 29 -20.015 1.305 15.242 1.00 0.00 C ATOM 483 CG GLN A 29 -20.039 2.358 16.343 1.00 0.00 C ATOM 484 CD GLN A 29 -21.449 2.722 16.778 1.00 0.00 C ATOM 485 OE1 GLN A 29 -22.061 3.643 16.238 1.00 0.00 O ATOM 486 NE2 GLN A 29 -21.972 1.997 17.762 1.00 0.00 N ATOM 0 H GLN A 29 -18.363 3.067 14.508 1.00 0.00 H new ATOM 0 HA GLN A 29 -19.868 1.058 13.112 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -20.903 0.680 15.333 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -19.152 0.657 15.393 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -19.482 1.990 17.204 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -19.529 3.255 15.993 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -21.430 1.242 18.183 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -22.915 2.196 18.096 1.00 0.00 H new ATOM 495 N ASP A 30 -22.293 1.899 13.152 1.00 0.00 N ATOM 496 CA ASP A 30 -23.594 2.490 12.830 1.00 0.00 C ATOM 497 C ASP A 30 -23.459 3.573 11.757 1.00 0.00 C ATOM 498 O ASP A 30 -24.178 4.574 11.776 1.00 0.00 O ATOM 499 CB ASP A 30 -24.239 3.082 14.091 1.00 0.00 C ATOM 500 CG ASP A 30 -24.457 2.055 15.190 1.00 0.00 C ATOM 501 OD1 ASP A 30 -24.419 0.840 14.897 1.00 0.00 O ATOM 502 OD2 ASP A 30 -24.665 2.470 16.349 1.00 0.00 O ATOM 0 H ASP A 30 -22.264 0.883 13.072 1.00 0.00 H new ATOM 0 HA ASP A 30 -24.233 1.698 12.439 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -23.607 3.884 14.472 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -25.197 3.530 13.826 1.00 0.00 H new ATOM 507 N SER A 31 -22.529 3.369 10.823 1.00 0.00 N ATOM 508 CA SER A 31 -22.300 4.329 9.750 1.00 0.00 C ATOM 509 C SER A 31 -22.779 3.773 8.409 1.00 0.00 C ATOM 510 O SER A 31 -23.160 2.603 8.310 1.00 0.00 O ATOM 511 CB SER A 31 -20.811 4.694 9.675 1.00 0.00 C ATOM 512 OG SER A 31 -20.060 3.683 9.021 1.00 0.00 O ATOM 0 H SER A 31 -21.925 2.548 10.790 1.00 0.00 H new ATOM 0 HA SER A 31 -22.874 5.230 9.968 1.00 0.00 H new ATOM 0 HB2 SER A 31 -20.693 5.638 9.143 1.00 0.00 H new ATOM 0 HB3 SER A 31 -20.421 4.845 10.682 1.00 0.00 H new ATOM 0 HG SER A 31 -19.543 3.180 9.684 1.00 0.00 H new ATOM 518 N LEU A 32 -22.751 4.617 7.380 1.00 0.00 N ATOM 519 CA LEU A 32 -23.176 4.210 6.041 1.00 0.00 C ATOM 520 C LEU A 32 -22.308 3.062 5.521 1.00 0.00 C ATOM 521 O LEU A 32 -22.804 2.158 4.852 1.00 0.00 O ATOM 522 CB LEU A 32 -23.111 5.398 5.077 1.00 0.00 C ATOM 523 CG LEU A 32 -24.243 6.417 5.226 1.00 0.00 C ATOM 524 CD1 LEU A 32 -23.776 7.797 4.792 1.00 0.00 C ATOM 525 CD2 LEU A 32 -25.456 5.982 4.416 1.00 0.00 C ATOM 0 H LEU A 32 -22.439 5.586 7.447 1.00 0.00 H new ATOM 0 HA LEU A 32 -24.207 3.862 6.103 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -22.160 5.911 5.221 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -23.117 5.018 4.055 1.00 0.00 H new ATOM 0 HG LEU A 32 -24.530 6.467 6.276 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -24.593 8.510 4.904 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -22.935 8.108 5.412 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -23.464 7.764 3.748 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -26.253 6.716 4.532 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -25.183 5.906 3.364 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -25.802 5.012 4.772 1.00 0.00 H new ATOM 537 N ALA A 33 -21.011 3.102 5.840 1.00 0.00 N ATOM 538 CA ALA A 33 -20.082 2.056 5.411 1.00 0.00 C ATOM 539 C ALA A 33 -20.465 0.703 6.009 1.00 0.00 C ATOM 540 O ALA A 33 -20.492 -0.308 5.307 1.00 0.00 O ATOM 541 CB ALA A 33 -18.654 2.417 5.798 1.00 0.00 C ATOM 0 H ALA A 33 -20.583 3.845 6.392 1.00 0.00 H new ATOM 0 HA ALA A 33 -20.142 1.979 4.325 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -17.978 1.627 5.471 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -18.374 3.356 5.320 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -18.587 2.527 6.880 1.00 0.00 H new ATOM 547 N ALA A 34 -20.766 0.695 7.310 1.00 0.00 N ATOM 548 CA ALA A 34 -21.157 -0.531 8.005 1.00 0.00 C ATOM 549 C ALA A 34 -22.440 -1.115 7.415 1.00 0.00 C ATOM 550 O ALA A 34 -22.570 -2.331 7.274 1.00 0.00 O ATOM 551 CB ALA A 34 -21.332 -0.265 9.491 1.00 0.00 C ATOM 0 H ALA A 34 -20.746 1.525 7.902 1.00 0.00 H new ATOM 0 HA ALA A 34 -20.360 -1.263 7.870 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -21.623 -1.187 9.994 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -20.392 0.095 9.909 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -22.107 0.488 9.637 1.00 0.00 H new ATOM 557 N ARG A 35 -23.381 -0.237 7.065 1.00 0.00 N ATOM 558 CA ARG A 35 -24.651 -0.664 6.481 1.00 0.00 C ATOM 559 C ARG A 35 -24.458 -1.106 5.029 1.00 0.00 C ATOM 560 O ARG A 35 -25.065 -2.081 4.584 1.00 0.00 O ATOM 561 CB ARG A 35 -25.680 0.468 6.554 1.00 0.00 C ATOM 562 CG ARG A 35 -26.860 0.164 7.464 1.00 0.00 C ATOM 563 CD ARG A 35 -26.657 0.747 8.856 1.00 0.00 C ATOM 564 NE ARG A 35 -27.839 0.575 9.702 1.00 0.00 N ATOM 565 CZ ARG A 35 -27.939 1.036 10.952 1.00 0.00 C ATOM 566 NH1 ARG A 35 -26.934 1.706 11.510 1.00 0.00 N ATOM 567 NH2 ARG A 35 -29.053 0.829 11.646 1.00 0.00 N ATOM 0 H ARG A 35 -23.287 0.773 7.176 1.00 0.00 H new ATOM 0 HA ARG A 35 -25.021 -1.513 7.055 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -25.186 1.374 6.905 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -26.051 0.675 5.550 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -27.772 0.571 7.027 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -26.996 -0.915 7.537 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -25.800 0.266 9.329 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -26.422 1.808 8.774 1.00 0.00 H new ATOM 0 HE ARG A 35 -28.636 0.072 9.313 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -26.077 1.872 10.983 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -27.021 2.054 12.465 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -29.829 0.319 11.224 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -29.132 1.180 12.600 1.00 0.00 H new ATOM 581 N ASP A 36 -23.609 -0.381 4.298 1.00 0.00 N ATOM 582 CA ASP A 36 -23.331 -0.696 2.897 1.00 0.00 C ATOM 583 C ASP A 36 -22.563 -2.012 2.764 1.00 0.00 C ATOM 584 O ASP A 36 -22.765 -2.760 1.806 1.00 0.00 O ATOM 585 CB ASP A 36 -22.532 0.437 2.247 1.00 0.00 C ATOM 586 CG ASP A 36 -22.613 0.418 0.731 1.00 0.00 C ATOM 587 OD1 ASP A 36 -23.741 0.416 0.195 1.00 0.00 O ATOM 588 OD2 ASP A 36 -21.547 0.412 0.082 1.00 0.00 O ATOM 0 H ASP A 36 -23.102 0.429 4.654 1.00 0.00 H new ATOM 0 HA ASP A 36 -24.287 -0.805 2.385 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -22.902 1.394 2.614 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -21.488 0.361 2.552 1.00 0.00 H new ATOM 593 N GLY A 37 -21.678 -2.286 3.726 1.00 0.00 N ATOM 594 CA GLY A 37 -20.893 -3.507 3.692 1.00 0.00 C ATOM 595 C GLY A 37 -19.934 -3.551 2.516 1.00 0.00 C ATOM 596 O GLY A 37 -19.827 -4.572 1.835 1.00 0.00 O ATOM 0 H GLY A 37 -21.493 -1.682 4.527 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -20.329 -3.598 4.620 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -21.564 -4.365 3.642 1.00 0.00 H new ATOM 600 N ASN A 38 -19.239 -2.439 2.274 1.00 0.00 N ATOM 601 CA ASN A 38 -18.287 -2.354 1.166 1.00 0.00 C ATOM 602 C ASN A 38 -16.894 -1.959 1.656 1.00 0.00 C ATOM 603 O ASN A 38 -15.898 -2.566 1.262 1.00 0.00 O ATOM 604 CB ASN A 38 -18.781 -1.352 0.118 1.00 0.00 C ATOM 605 CG ASN A 38 -19.634 -2.008 -0.951 1.00 0.00 C ATOM 606 OD1 ASN A 38 -19.230 -2.106 -2.110 1.00 0.00 O ATOM 607 ND2 ASN A 38 -20.824 -2.461 -0.567 1.00 0.00 N ATOM 0 H ASN A 38 -19.317 -1.587 2.829 1.00 0.00 H new ATOM 0 HA ASN A 38 -18.216 -3.342 0.711 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -19.359 -0.570 0.611 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -17.924 -0.868 -0.351 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -21.441 -2.910 -1.243 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -21.119 -2.359 0.404 1.00 0.00 H new ATOM 614 N ILE A 39 -16.832 -0.939 2.513 1.00 0.00 N ATOM 615 CA ILE A 39 -15.558 -0.466 3.051 1.00 0.00 C ATOM 616 C ILE A 39 -15.122 -1.304 4.253 1.00 0.00 C ATOM 617 O ILE A 39 -15.863 -1.434 5.230 1.00 0.00 O ATOM 618 CB ILE A 39 -15.637 1.019 3.474 1.00 0.00 C ATOM 619 CG1 ILE A 39 -16.272 1.862 2.363 1.00 0.00 C ATOM 620 CG2 ILE A 39 -14.250 1.548 3.819 1.00 0.00 C ATOM 621 CD1 ILE A 39 -17.752 2.112 2.562 1.00 0.00 C ATOM 0 H ILE A 39 -17.648 -0.426 2.848 1.00 0.00 H new ATOM 0 HA ILE A 39 -14.823 -0.568 2.253 1.00 0.00 H new ATOM 0 HB ILE A 39 -16.265 1.092 4.362 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -15.755 2.820 2.305 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -16.122 1.360 1.407 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -14.323 2.595 4.115 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -13.833 0.967 4.641 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -13.601 1.462 2.948 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -18.133 2.715 1.738 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -18.281 1.160 2.590 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -17.908 2.642 3.502 1.00 0.00 H new ATOM 633 N GLN A 40 -13.916 -1.866 4.173 1.00 0.00 N ATOM 634 CA GLN A 40 -13.373 -2.691 5.252 1.00 0.00 C ATOM 635 C GLN A 40 -12.100 -2.071 5.822 1.00 0.00 C ATOM 636 O GLN A 40 -11.416 -1.302 5.144 1.00 0.00 O ATOM 637 CB GLN A 40 -13.077 -4.107 4.747 1.00 0.00 C ATOM 638 CG GLN A 40 -13.185 -5.174 5.827 1.00 0.00 C ATOM 639 CD GLN A 40 -11.971 -6.081 5.877 1.00 0.00 C ATOM 640 OE1 GLN A 40 -11.941 -7.132 5.238 1.00 0.00 O ATOM 641 NE2 GLN A 40 -10.959 -5.680 6.642 1.00 0.00 N ATOM 0 H GLN A 40 -13.295 -1.765 3.370 1.00 0.00 H new ATOM 0 HA GLN A 40 -14.121 -2.743 6.043 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -13.769 -4.348 3.940 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -12.073 -4.130 4.324 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -13.314 -4.692 6.796 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -14.076 -5.776 5.649 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -11.025 -4.801 7.156 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -10.117 -6.251 6.715 1.00 0.00 H new ATOM 650 N GLU A 41 -11.787 -2.411 7.072 1.00 0.00 N ATOM 651 CA GLU A 41 -10.593 -1.889 7.738 1.00 0.00 C ATOM 652 C GLU A 41 -9.329 -2.310 6.990 1.00 0.00 C ATOM 653 O GLU A 41 -8.970 -3.488 6.974 1.00 0.00 O ATOM 654 CB GLU A 41 -10.522 -2.380 9.186 1.00 0.00 C ATOM 655 CG GLU A 41 -11.744 -2.029 10.020 1.00 0.00 C ATOM 656 CD GLU A 41 -12.736 -3.173 10.112 1.00 0.00 C ATOM 657 OE1 GLU A 41 -12.531 -4.072 10.955 1.00 0.00 O ATOM 658 OE2 GLU A 41 -13.713 -3.175 9.333 1.00 0.00 O ATOM 0 H GLU A 41 -12.344 -3.046 7.644 1.00 0.00 H new ATOM 0 HA GLU A 41 -10.659 -0.801 7.736 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -10.394 -3.462 9.186 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -9.637 -1.955 9.660 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -11.426 -1.748 11.024 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -12.237 -1.159 9.587 1.00 0.00 H new ATOM 665 N GLY A 42 -8.664 -1.338 6.366 1.00 0.00 N ATOM 666 CA GLY A 42 -7.449 -1.622 5.618 1.00 0.00 C ATOM 667 C GLY A 42 -7.660 -1.612 4.107 1.00 0.00 C ATOM 668 O GLY A 42 -6.739 -1.922 3.351 1.00 0.00 O ATOM 0 H GLY A 42 -8.946 -0.358 6.365 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.689 -0.885 5.878 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.064 -2.596 5.919 1.00 0.00 H new ATOM 672 N ASP A 43 -8.871 -1.252 3.667 1.00 0.00 N ATOM 673 CA ASP A 43 -9.189 -1.200 2.241 1.00 0.00 C ATOM 674 C ASP A 43 -8.397 -0.094 1.545 1.00 0.00 C ATOM 675 O ASP A 43 -8.350 1.038 2.026 1.00 0.00 O ATOM 676 CB ASP A 43 -10.695 -0.975 2.042 1.00 0.00 C ATOM 677 CG ASP A 43 -11.439 -2.243 1.658 1.00 0.00 C ATOM 678 OD1 ASP A 43 -10.958 -3.347 1.991 1.00 0.00 O ATOM 679 OD2 ASP A 43 -12.512 -2.130 1.026 1.00 0.00 O ATOM 0 H ASP A 43 -9.644 -0.993 4.280 1.00 0.00 H new ATOM 0 HA ASP A 43 -8.909 -2.154 1.795 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -11.122 -0.574 2.962 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -10.845 -0.223 1.267 1.00 0.00 H new ATOM 684 N VAL A 44 -7.778 -0.430 0.412 1.00 0.00 N ATOM 685 CA VAL A 44 -6.988 0.538 -0.349 1.00 0.00 C ATOM 686 C VAL A 44 -7.838 1.209 -1.427 1.00 0.00 C ATOM 687 O VAL A 44 -8.298 0.552 -2.362 1.00 0.00 O ATOM 688 CB VAL A 44 -5.757 -0.123 -1.009 1.00 0.00 C ATOM 689 CG1 VAL A 44 -4.872 0.927 -1.667 1.00 0.00 C ATOM 690 CG2 VAL A 44 -4.962 -0.929 0.011 1.00 0.00 C ATOM 0 H VAL A 44 -7.809 -1.364 0.002 1.00 0.00 H new ATOM 0 HA VAL A 44 -6.641 1.290 0.359 1.00 0.00 H new ATOM 0 HB VAL A 44 -6.113 -0.806 -1.780 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -4.011 0.441 -2.126 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.441 1.455 -2.432 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.530 1.637 -0.915 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.100 -1.385 -0.477 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -4.620 -0.270 0.809 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -5.596 -1.710 0.432 1.00 0.00 H new ATOM 700 N VAL A 45 -8.041 2.519 -1.290 1.00 0.00 N ATOM 701 CA VAL A 45 -8.837 3.284 -2.247 1.00 0.00 C ATOM 702 C VAL A 45 -7.964 3.864 -3.361 1.00 0.00 C ATOM 703 O VAL A 45 -6.881 4.391 -3.104 1.00 0.00 O ATOM 704 CB VAL A 45 -9.596 4.441 -1.559 1.00 0.00 C ATOM 705 CG1 VAL A 45 -10.559 5.104 -2.531 1.00 0.00 C ATOM 706 CG2 VAL A 45 -10.337 3.949 -0.320 1.00 0.00 C ATOM 0 H VAL A 45 -7.663 3.074 -0.522 1.00 0.00 H new ATOM 0 HA VAL A 45 -9.557 2.587 -2.676 1.00 0.00 H new ATOM 0 HB VAL A 45 -8.863 5.182 -1.241 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.083 5.916 -2.027 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -10.003 5.503 -3.379 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -11.282 4.369 -2.885 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -10.863 4.783 0.145 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -11.056 3.182 -0.607 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -9.623 3.530 0.389 1.00 0.00 H new ATOM 716 N LEU A 46 -8.451 3.770 -4.598 1.00 0.00 N ATOM 717 CA LEU A 46 -7.727 4.291 -5.755 1.00 0.00 C ATOM 718 C LEU A 46 -8.453 5.491 -6.367 1.00 0.00 C ATOM 719 O LEU A 46 -7.815 6.460 -6.780 1.00 0.00 O ATOM 720 CB LEU A 46 -7.546 3.196 -6.809 1.00 0.00 C ATOM 721 CG LEU A 46 -6.389 2.229 -6.546 1.00 0.00 C ATOM 722 CD1 LEU A 46 -6.857 1.048 -5.704 1.00 0.00 C ATOM 723 CD2 LEU A 46 -5.788 1.746 -7.860 1.00 0.00 C ATOM 0 H LEU A 46 -9.346 3.337 -4.824 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.746 4.622 -5.414 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.470 2.623 -6.878 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -7.391 3.668 -7.779 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.617 2.760 -5.990 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.020 0.372 -5.528 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -7.238 1.410 -4.749 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.648 0.516 -6.232 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.967 1.059 -7.654 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.553 1.233 -8.443 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.414 2.600 -8.425 1.00 0.00 H new ATOM 735 N LYS A 47 -9.787 5.422 -6.424 1.00 0.00 N ATOM 736 CA LYS A 47 -10.585 6.509 -6.989 1.00 0.00 C ATOM 737 C LYS A 47 -11.754 6.872 -6.077 1.00 0.00 C ATOM 738 O LYS A 47 -12.262 6.029 -5.335 1.00 0.00 O ATOM 739 CB LYS A 47 -11.113 6.125 -8.374 1.00 0.00 C ATOM 740 CG LYS A 47 -10.068 6.211 -9.476 1.00 0.00 C ATOM 741 CD LYS A 47 -10.189 5.047 -10.447 1.00 0.00 C ATOM 742 CE LYS A 47 -9.196 5.167 -11.596 1.00 0.00 C ATOM 743 NZ LYS A 47 -9.866 5.518 -12.882 1.00 0.00 N ATOM 0 H LYS A 47 -10.332 4.628 -6.087 1.00 0.00 H new ATOM 0 HA LYS A 47 -9.935 7.379 -7.080 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -11.503 5.108 -8.335 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -11.949 6.777 -8.627 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -10.183 7.151 -10.016 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -9.071 6.217 -9.035 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -10.019 4.111 -9.916 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -11.203 5.009 -10.845 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -8.454 5.928 -11.355 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -8.661 4.225 -11.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -9.154 5.589 -13.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -10.556 4.780 -13.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -10.356 6.430 -12.781 1.00 0.00 H new ATOM 757 N ILE A 48 -12.181 8.133 -6.147 1.00 0.00 N ATOM 758 CA ILE A 48 -13.295 8.621 -5.342 1.00 0.00 C ATOM 759 C ILE A 48 -14.172 9.565 -6.156 1.00 0.00 C ATOM 760 O ILE A 48 -13.688 10.559 -6.704 1.00 0.00 O ATOM 761 CB ILE A 48 -12.806 9.354 -4.074 1.00 0.00 C ATOM 762 CG1 ILE A 48 -11.775 8.503 -3.327 1.00 0.00 C ATOM 763 CG2 ILE A 48 -13.979 9.691 -3.161 1.00 0.00 C ATOM 764 CD1 ILE A 48 -11.137 9.216 -2.155 1.00 0.00 C ATOM 0 H ILE A 48 -11.767 8.837 -6.758 1.00 0.00 H new ATOM 0 HA ILE A 48 -13.875 7.749 -5.038 1.00 0.00 H new ATOM 0 HB ILE A 48 -12.330 10.286 -4.380 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -12.257 7.593 -2.969 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -10.995 8.197 -4.024 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -13.613 10.207 -2.273 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -14.680 10.335 -3.692 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -14.484 8.772 -2.864 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -10.418 8.553 -1.674 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -10.625 10.111 -2.508 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -11.907 9.498 -1.437 1.00 0.00 H new ATOM 776 N ASN A 49 -15.463 9.243 -6.238 1.00 0.00 N ATOM 777 CA ASN A 49 -16.421 10.052 -6.990 1.00 0.00 C ATOM 778 C ASN A 49 -16.005 10.184 -8.458 1.00 0.00 C ATOM 779 O ASN A 49 -16.270 11.203 -9.099 1.00 0.00 O ATOM 780 CB ASN A 49 -16.565 11.441 -6.351 1.00 0.00 C ATOM 781 CG ASN A 49 -18.017 11.833 -6.129 1.00 0.00 C ATOM 782 OD1 ASN A 49 -18.935 11.163 -6.604 1.00 0.00 O ATOM 783 ND2 ASN A 49 -18.234 12.926 -5.403 1.00 0.00 N ATOM 0 H ASN A 49 -15.871 8.422 -5.790 1.00 0.00 H new ATOM 0 HA ASN A 49 -17.386 9.546 -6.957 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -16.039 11.454 -5.397 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -16.086 12.183 -6.990 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -19.188 13.237 -5.222 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -17.446 13.453 -5.027 1.00 0.00 H new ATOM 790 N GLY A 50 -15.350 9.146 -8.988 1.00 0.00 N ATOM 791 CA GLY A 50 -14.912 9.172 -10.374 1.00 0.00 C ATOM 792 C GLY A 50 -13.647 9.990 -10.575 1.00 0.00 C ATOM 793 O GLY A 50 -13.469 10.617 -11.621 1.00 0.00 O ATOM 0 H GLY A 50 -15.117 8.292 -8.481 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -14.738 8.151 -10.715 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -15.708 9.583 -10.995 1.00 0.00 H new ATOM 797 N THR A 51 -12.769 9.992 -9.572 1.00 0.00 N ATOM 798 CA THR A 51 -11.518 10.746 -9.645 1.00 0.00 C ATOM 799 C THR A 51 -10.391 9.989 -8.947 1.00 0.00 C ATOM 800 O THR A 51 -10.588 9.423 -7.872 1.00 0.00 O ATOM 801 CB THR A 51 -11.690 12.133 -9.011 1.00 0.00 C ATOM 802 OG1 THR A 51 -13.008 12.620 -9.203 1.00 0.00 O ATOM 803 CG2 THR A 51 -10.739 13.169 -9.571 1.00 0.00 C ATOM 0 H THR A 51 -12.901 9.480 -8.700 1.00 0.00 H new ATOM 0 HA THR A 51 -11.256 10.869 -10.696 1.00 0.00 H new ATOM 0 HB THR A 51 -11.472 11.990 -7.953 1.00 0.00 H new ATOM 0 HG1 THR A 51 -13.094 13.504 -8.789 1.00 0.00 H new ATOM 0 HG21 THR A 51 -10.914 14.126 -9.080 1.00 0.00 H new ATOM 0 HG22 THR A 51 -9.711 12.853 -9.394 1.00 0.00 H new ATOM 0 HG23 THR A 51 -10.907 13.275 -10.643 1.00 0.00 H new ATOM 811 N VAL A 52 -9.210 9.984 -9.568 1.00 0.00 N ATOM 812 CA VAL A 52 -8.047 9.295 -9.007 1.00 0.00 C ATOM 813 C VAL A 52 -7.641 9.912 -7.670 1.00 0.00 C ATOM 814 O VAL A 52 -7.771 11.121 -7.472 1.00 0.00 O ATOM 815 CB VAL A 52 -6.834 9.332 -9.965 1.00 0.00 C ATOM 816 CG1 VAL A 52 -5.726 8.417 -9.461 1.00 0.00 C ATOM 817 CG2 VAL A 52 -7.248 8.943 -11.378 1.00 0.00 C ATOM 0 H VAL A 52 -9.034 10.449 -10.459 1.00 0.00 H new ATOM 0 HA VAL A 52 -8.343 8.256 -8.859 1.00 0.00 H new ATOM 0 HB VAL A 52 -6.453 10.353 -9.991 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.881 8.456 -10.148 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.405 8.745 -8.472 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.098 7.394 -9.401 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.378 8.976 -12.034 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -7.659 7.934 -11.372 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -8.003 9.640 -11.741 1.00 0.00 H new ATOM 827 N THR A 53 -7.153 9.074 -6.758 1.00 0.00 N ATOM 828 CA THR A 53 -6.729 9.533 -5.438 1.00 0.00 C ATOM 829 C THR A 53 -5.316 9.051 -5.109 1.00 0.00 C ATOM 830 O THR A 53 -5.004 8.764 -3.954 1.00 0.00 O ATOM 831 CB THR A 53 -7.716 9.049 -4.368 1.00 0.00 C ATOM 832 OG1 THR A 53 -9.043 9.034 -4.870 1.00 0.00 O ATOM 833 CG2 THR A 53 -7.709 9.899 -3.118 1.00 0.00 C ATOM 0 H THR A 53 -7.041 8.072 -6.910 1.00 0.00 H new ATOM 0 HA THR A 53 -6.718 10.623 -5.448 1.00 0.00 H new ATOM 0 HB THR A 53 -7.383 8.044 -4.108 1.00 0.00 H new ATOM 0 HG1 THR A 53 -9.564 9.742 -4.438 1.00 0.00 H new ATOM 0 HG21 THR A 53 -8.429 9.501 -2.403 1.00 0.00 H new ATOM 0 HG22 THR A 53 -6.713 9.886 -2.675 1.00 0.00 H new ATOM 0 HG23 THR A 53 -7.979 10.924 -3.373 1.00 0.00 H new ATOM 841 N GLU A 54 -4.457 8.977 -6.125 1.00 0.00 N ATOM 842 CA GLU A 54 -3.079 8.545 -5.922 1.00 0.00 C ATOM 843 C GLU A 54 -2.138 9.744 -5.955 1.00 0.00 C ATOM 844 O GLU A 54 -2.356 10.695 -6.709 1.00 0.00 O ATOM 845 CB GLU A 54 -2.669 7.519 -6.976 1.00 0.00 C ATOM 846 CG GLU A 54 -2.049 6.258 -6.392 1.00 0.00 C ATOM 847 CD GLU A 54 -2.611 4.991 -7.007 1.00 0.00 C ATOM 848 OE1 GLU A 54 -3.686 4.539 -6.561 1.00 0.00 O ATOM 849 OE2 GLU A 54 -1.970 4.445 -7.931 1.00 0.00 O ATOM 0 H GLU A 54 -4.691 9.209 -7.090 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.011 8.072 -4.942 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -3.545 7.244 -7.563 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.957 7.979 -7.661 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.970 6.284 -6.545 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.218 6.240 -5.315 1.00 0.00 H new ATOM 856 N ASN A 55 -1.101 9.694 -5.121 1.00 0.00 N ATOM 857 CA ASN A 55 -0.113 10.771 -5.023 1.00 0.00 C ATOM 858 C ASN A 55 -0.717 12.048 -4.423 1.00 0.00 C ATOM 859 O ASN A 55 -0.061 13.091 -4.394 1.00 0.00 O ATOM 860 CB ASN A 55 0.503 11.080 -6.393 1.00 0.00 C ATOM 861 CG ASN A 55 0.834 9.829 -7.190 1.00 0.00 C ATOM 862 OD1 ASN A 55 1.114 8.771 -6.622 1.00 0.00 O ATOM 863 ND2 ASN A 55 0.806 9.942 -8.513 1.00 0.00 N ATOM 0 H ASN A 55 -0.921 8.909 -4.495 1.00 0.00 H new ATOM 0 HA ASN A 55 0.672 10.420 -4.353 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -0.189 11.697 -6.966 1.00 0.00 H new ATOM 0 HB3 ASN A 55 1.411 11.666 -6.253 1.00 0.00 H new ATOM 0 HD21 ASN A 55 1.021 9.135 -9.098 1.00 0.00 H new ATOM 0 HD22 ASN A 55 0.569 10.836 -8.944 1.00 0.00 H new ATOM 870 N MET A 56 -1.962 11.969 -3.941 1.00 0.00 N ATOM 871 CA MET A 56 -2.622 13.127 -3.346 1.00 0.00 C ATOM 872 C MET A 56 -2.419 13.155 -1.831 1.00 0.00 C ATOM 873 O MET A 56 -2.113 12.131 -1.217 1.00 0.00 O ATOM 874 CB MET A 56 -4.118 13.112 -3.673 1.00 0.00 C ATOM 875 CG MET A 56 -4.627 14.423 -4.253 1.00 0.00 C ATOM 876 SD MET A 56 -4.832 14.357 -6.043 1.00 0.00 S ATOM 877 CE MET A 56 -5.894 12.924 -6.209 1.00 0.00 C ATOM 0 H MET A 56 -2.527 11.120 -3.953 1.00 0.00 H new ATOM 0 HA MET A 56 -2.173 14.026 -3.769 1.00 0.00 H new ATOM 0 HB2 MET A 56 -4.319 12.308 -4.382 1.00 0.00 H new ATOM 0 HB3 MET A 56 -4.678 12.884 -2.766 1.00 0.00 H new ATOM 0 HG2 MET A 56 -5.582 14.674 -3.791 1.00 0.00 H new ATOM 0 HG3 MET A 56 -3.931 15.222 -4.000 1.00 0.00 H new ATOM 0 HE1 MET A 56 -6.621 13.100 -7.002 1.00 0.00 H new ATOM 0 HE2 MET A 56 -5.291 12.051 -6.456 1.00 0.00 H new ATOM 0 HE3 MET A 56 -6.418 12.749 -5.269 1.00 0.00 H new ATOM 887 N SER A 57 -2.598 14.334 -1.235 1.00 0.00 N ATOM 888 CA SER A 57 -2.441 14.496 0.208 1.00 0.00 C ATOM 889 C SER A 57 -3.660 13.955 0.950 1.00 0.00 C ATOM 890 O SER A 57 -4.780 14.005 0.439 1.00 0.00 O ATOM 891 CB SER A 57 -2.223 15.971 0.561 1.00 0.00 C ATOM 892 OG SER A 57 -1.159 16.524 -0.196 1.00 0.00 O ATOM 0 H SER A 57 -2.852 15.189 -1.730 1.00 0.00 H new ATOM 0 HA SER A 57 -1.565 13.926 0.519 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.138 16.533 0.373 1.00 0.00 H new ATOM 0 HB3 SER A 57 -2.004 16.065 1.625 1.00 0.00 H new ATOM 0 HG SER A 57 -1.041 17.466 0.046 1.00 0.00 H new ATOM 898 N LEU A 58 -3.434 13.441 2.159 1.00 0.00 N ATOM 899 CA LEU A 58 -4.514 12.892 2.979 1.00 0.00 C ATOM 900 C LEU A 58 -5.626 13.922 3.180 1.00 0.00 C ATOM 901 O LEU A 58 -6.796 13.563 3.326 1.00 0.00 O ATOM 902 CB LEU A 58 -3.974 12.439 4.339 1.00 0.00 C ATOM 903 CG LEU A 58 -4.998 11.763 5.254 1.00 0.00 C ATOM 904 CD1 LEU A 58 -5.364 10.387 4.721 1.00 0.00 C ATOM 905 CD2 LEU A 58 -4.462 11.662 6.675 1.00 0.00 C ATOM 0 H LEU A 58 -2.512 13.393 2.593 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.929 12.031 2.455 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.148 11.748 4.172 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.565 13.306 4.857 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.900 12.375 5.271 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -6.093 9.922 5.385 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.792 10.485 3.723 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.470 9.766 4.672 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.204 11.179 7.310 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.544 11.074 6.677 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.253 12.661 7.057 1.00 0.00 H new ATOM 917 N THR A 59 -5.251 15.202 3.186 1.00 0.00 N ATOM 918 CA THR A 59 -6.214 16.286 3.367 1.00 0.00 C ATOM 919 C THR A 59 -7.187 16.357 2.188 1.00 0.00 C ATOM 920 O THR A 59 -8.391 16.526 2.381 1.00 0.00 O ATOM 921 CB THR A 59 -5.489 17.628 3.524 1.00 0.00 C ATOM 922 OG1 THR A 59 -4.126 17.438 3.875 1.00 0.00 O ATOM 923 CG2 THR A 59 -6.114 18.529 4.571 1.00 0.00 C ATOM 0 H THR A 59 -4.287 15.512 3.067 1.00 0.00 H new ATOM 0 HA THR A 59 -6.782 16.080 4.274 1.00 0.00 H new ATOM 0 HB THR A 59 -5.576 18.111 2.551 1.00 0.00 H new ATOM 0 HG1 THR A 59 -3.687 18.310 3.967 1.00 0.00 H new ATOM 0 HG21 THR A 59 -5.552 19.461 4.631 1.00 0.00 H new ATOM 0 HG22 THR A 59 -7.147 18.744 4.296 1.00 0.00 H new ATOM 0 HG23 THR A 59 -6.093 18.030 5.540 1.00 0.00 H new ATOM 931 N ASP A 60 -6.654 16.220 0.971 1.00 0.00 N ATOM 932 CA ASP A 60 -7.472 16.262 -0.241 1.00 0.00 C ATOM 933 C ASP A 60 -8.540 15.169 -0.214 1.00 0.00 C ATOM 934 O ASP A 60 -9.688 15.405 -0.593 1.00 0.00 O ATOM 935 CB ASP A 60 -6.590 16.100 -1.484 1.00 0.00 C ATOM 936 CG ASP A 60 -6.084 17.425 -2.023 1.00 0.00 C ATOM 937 OD1 ASP A 60 -5.631 18.265 -1.216 1.00 0.00 O ATOM 938 OD2 ASP A 60 -6.137 17.623 -3.255 1.00 0.00 O ATOM 0 H ASP A 60 -5.658 16.079 0.800 1.00 0.00 H new ATOM 0 HA ASP A 60 -7.969 17.231 -0.281 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -5.739 15.464 -1.240 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -7.157 15.589 -2.262 1.00 0.00 H new ATOM 943 N ALA A 61 -8.157 13.977 0.250 1.00 0.00 N ATOM 944 CA ALA A 61 -9.087 12.855 0.340 1.00 0.00 C ATOM 945 C ALA A 61 -10.280 13.215 1.223 1.00 0.00 C ATOM 946 O ALA A 61 -11.414 12.825 0.938 1.00 0.00 O ATOM 947 CB ALA A 61 -8.383 11.619 0.882 1.00 0.00 C ATOM 0 H ALA A 61 -7.211 13.767 0.568 1.00 0.00 H new ATOM 0 HA ALA A 61 -9.453 12.634 -0.663 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -9.092 10.793 0.942 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -7.564 11.346 0.217 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -7.989 11.831 1.876 1.00 0.00 H new ATOM 953 N LYS A 62 -10.016 13.976 2.287 1.00 0.00 N ATOM 954 CA LYS A 62 -11.065 14.411 3.207 1.00 0.00 C ATOM 955 C LYS A 62 -12.047 15.345 2.497 1.00 0.00 C ATOM 956 O LYS A 62 -13.250 15.314 2.762 1.00 0.00 O ATOM 957 CB LYS A 62 -10.450 15.117 4.422 1.00 0.00 C ATOM 958 CG LYS A 62 -9.392 14.290 5.140 1.00 0.00 C ATOM 959 CD LYS A 62 -9.952 13.611 6.380 1.00 0.00 C ATOM 960 CE LYS A 62 -8.840 13.124 7.297 1.00 0.00 C ATOM 961 NZ LYS A 62 -9.228 11.895 8.048 1.00 0.00 N ATOM 0 H LYS A 62 -9.082 14.304 2.532 1.00 0.00 H new ATOM 0 HA LYS A 62 -11.608 13.530 3.550 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -10.005 16.058 4.098 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -11.244 15.366 5.126 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -8.997 13.536 4.460 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -8.558 14.933 5.423 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -10.592 14.308 6.921 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -10.577 12.768 6.084 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -7.947 12.920 6.706 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -8.582 13.913 8.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -8.441 11.599 8.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -10.065 12.095 8.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -9.450 11.133 7.376 1.00 0.00 H new ATOM 975 N THR A 63 -11.521 16.169 1.590 1.00 0.00 N ATOM 976 CA THR A 63 -12.341 17.111 0.830 1.00 0.00 C ATOM 977 C THR A 63 -13.327 16.384 -0.081 1.00 0.00 C ATOM 978 O THR A 63 -14.496 16.760 -0.161 1.00 0.00 O ATOM 979 CB THR A 63 -11.458 18.030 -0.013 1.00 0.00 C ATOM 980 OG1 THR A 63 -10.167 18.160 0.558 1.00 0.00 O ATOM 981 CG2 THR A 63 -12.025 19.421 -0.180 1.00 0.00 C ATOM 0 H THR A 63 -10.527 16.202 1.364 1.00 0.00 H new ATOM 0 HA THR A 63 -12.905 17.705 1.549 1.00 0.00 H new ATOM 0 HB THR A 63 -11.409 17.554 -0.992 1.00 0.00 H new ATOM 0 HG1 THR A 63 -9.620 18.751 -0.000 1.00 0.00 H new ATOM 0 HG21 THR A 63 -11.347 20.019 -0.789 1.00 0.00 H new ATOM 0 HG22 THR A 63 -12.997 19.361 -0.670 1.00 0.00 H new ATOM 0 HG23 THR A 63 -12.141 19.887 0.799 1.00 0.00 H new ATOM 989 N LEU A 64 -12.853 15.340 -0.766 1.00 0.00 N ATOM 990 CA LEU A 64 -13.708 14.564 -1.667 1.00 0.00 C ATOM 991 C LEU A 64 -14.940 14.053 -0.926 1.00 0.00 C ATOM 992 O LEU A 64 -16.034 13.992 -1.490 1.00 0.00 O ATOM 993 CB LEU A 64 -12.933 13.387 -2.267 1.00 0.00 C ATOM 994 CG LEU A 64 -12.432 13.606 -3.697 1.00 0.00 C ATOM 995 CD1 LEU A 64 -11.098 12.905 -3.910 1.00 0.00 C ATOM 996 CD2 LEU A 64 -13.465 13.118 -4.705 1.00 0.00 C ATOM 0 H LEU A 64 -11.888 15.014 -0.714 1.00 0.00 H new ATOM 0 HA LEU A 64 -14.030 15.219 -2.477 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -12.078 13.170 -1.627 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -13.573 12.505 -2.253 1.00 0.00 H new ATOM 0 HG LEU A 64 -12.283 14.675 -3.850 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -10.758 13.072 -4.932 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -10.362 13.305 -3.213 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -11.217 11.835 -3.738 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -13.092 13.281 -5.716 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -13.647 12.054 -4.553 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -14.396 13.669 -4.568 1.00 0.00 H new ATOM 1008 N ILE A 65 -14.756 13.706 0.347 1.00 0.00 N ATOM 1009 CA ILE A 65 -15.852 13.220 1.175 1.00 0.00 C ATOM 1010 C ILE A 65 -16.812 14.357 1.522 1.00 0.00 C ATOM 1011 O ILE A 65 -18.017 14.141 1.658 1.00 0.00 O ATOM 1012 CB ILE A 65 -15.336 12.577 2.481 1.00 0.00 C ATOM 1013 CG1 ILE A 65 -14.228 11.560 2.180 1.00 0.00 C ATOM 1014 CG2 ILE A 65 -16.481 11.914 3.234 1.00 0.00 C ATOM 1015 CD1 ILE A 65 -13.388 11.200 3.388 1.00 0.00 C ATOM 0 H ILE A 65 -13.856 13.753 0.825 1.00 0.00 H new ATOM 0 HA ILE A 65 -16.378 12.461 0.596 1.00 0.00 H new ATOM 0 HB ILE A 65 -14.917 13.362 3.111 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -14.679 10.653 1.779 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -13.578 11.963 1.403 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -16.101 11.465 4.152 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -17.235 12.661 3.480 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -16.927 11.140 2.610 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -12.626 10.477 3.099 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -12.907 12.097 3.778 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -14.026 10.766 4.158 1.00 0.00 H new ATOM 1027 N GLU A 66 -16.273 15.571 1.659 1.00 0.00 N ATOM 1028 CA GLU A 66 -17.088 16.740 1.983 1.00 0.00 C ATOM 1029 C GLU A 66 -17.870 17.213 0.760 1.00 0.00 C ATOM 1030 O GLU A 66 -19.024 17.629 0.872 1.00 0.00 O ATOM 1031 CB GLU A 66 -16.210 17.877 2.509 1.00 0.00 C ATOM 1032 CG GLU A 66 -15.652 17.629 3.905 1.00 0.00 C ATOM 1033 CD GLU A 66 -14.360 18.383 4.164 1.00 0.00 C ATOM 1034 OE1 GLU A 66 -14.262 19.560 3.757 1.00 0.00 O ATOM 1035 OE2 GLU A 66 -13.445 17.794 4.778 1.00 0.00 O ATOM 0 H GLU A 66 -15.278 15.768 1.551 1.00 0.00 H new ATOM 0 HA GLU A 66 -17.796 16.451 2.759 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -15.381 18.032 1.819 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -16.793 18.798 2.519 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -16.395 17.924 4.646 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -15.477 16.561 4.037 1.00 0.00 H new ATOM 1042 N ARG A 67 -17.233 17.140 -0.410 1.00 0.00 N ATOM 1043 CA ARG A 67 -17.865 17.554 -1.661 1.00 0.00 C ATOM 1044 C ARG A 67 -19.129 16.738 -1.939 1.00 0.00 C ATOM 1045 O ARG A 67 -20.088 17.249 -2.518 1.00 0.00 O ATOM 1046 CB ARG A 67 -16.885 17.404 -2.829 1.00 0.00 C ATOM 1047 CG ARG A 67 -16.955 18.542 -3.836 1.00 0.00 C ATOM 1048 CD ARG A 67 -15.635 18.722 -4.569 1.00 0.00 C ATOM 1049 NE ARG A 67 -14.700 19.562 -3.820 1.00 0.00 N ATOM 1050 CZ ARG A 67 -13.600 20.108 -4.347 1.00 0.00 C ATOM 1051 NH1 ARG A 67 -13.288 19.900 -5.624 1.00 0.00 N ATOM 1052 NH2 ARG A 67 -12.811 20.865 -3.593 1.00 0.00 N ATOM 0 H ARG A 67 -16.278 16.797 -0.516 1.00 0.00 H new ATOM 0 HA ARG A 67 -18.147 18.602 -1.560 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -15.871 17.341 -2.435 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -17.086 16.464 -3.342 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -17.748 18.343 -4.557 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -17.216 19.467 -3.323 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -15.183 17.746 -4.746 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -15.821 19.169 -5.546 1.00 0.00 H new ATOM 0 HE ARG A 67 -14.900 19.742 -2.836 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -13.890 19.320 -6.208 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -12.447 20.320 -6.018 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -13.045 21.029 -2.614 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -11.971 21.283 -3.993 1.00 0.00 H new ATOM 1066 N SER A 68 -19.122 15.467 -1.529 1.00 0.00 N ATOM 1067 CA SER A 68 -20.268 14.583 -1.739 1.00 0.00 C ATOM 1068 C SER A 68 -21.532 15.138 -1.084 1.00 0.00 C ATOM 1069 O SER A 68 -21.613 15.246 0.141 1.00 0.00 O ATOM 1070 CB SER A 68 -19.973 13.187 -1.188 1.00 0.00 C ATOM 1071 OG SER A 68 -20.354 12.187 -2.117 1.00 0.00 O ATOM 0 H SER A 68 -18.335 15.029 -1.050 1.00 0.00 H new ATOM 0 HA SER A 68 -20.440 14.520 -2.813 1.00 0.00 H new ATOM 0 HB2 SER A 68 -18.910 13.096 -0.965 1.00 0.00 H new ATOM 0 HB3 SER A 68 -20.509 13.041 -0.250 1.00 0.00 H new ATOM 0 HG SER A 68 -21.332 12.124 -2.147 1.00 0.00 H new ATOM 1077 N LYS A 69 -22.519 15.483 -1.910 1.00 0.00 N ATOM 1078 CA LYS A 69 -23.784 16.021 -1.413 1.00 0.00 C ATOM 1079 C LYS A 69 -24.635 14.924 -0.774 1.00 0.00 C ATOM 1080 O LYS A 69 -25.336 15.168 0.211 1.00 0.00 O ATOM 1081 CB LYS A 69 -24.565 16.687 -2.552 1.00 0.00 C ATOM 1082 CG LYS A 69 -24.478 18.206 -2.545 1.00 0.00 C ATOM 1083 CD LYS A 69 -23.863 18.738 -3.830 1.00 0.00 C ATOM 1084 CE LYS A 69 -22.353 18.558 -3.840 1.00 0.00 C ATOM 1085 NZ LYS A 69 -21.772 18.772 -5.196 1.00 0.00 N ATOM 0 H LYS A 69 -22.467 15.400 -2.925 1.00 0.00 H new ATOM 0 HA LYS A 69 -23.554 16.767 -0.652 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -24.189 16.315 -3.505 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -25.612 16.391 -2.485 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -25.475 18.627 -2.417 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -23.882 18.533 -1.693 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -24.298 18.220 -4.685 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -24.105 19.795 -3.941 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -21.900 19.258 -3.137 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -22.106 17.554 -3.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -20.741 18.640 -5.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -22.184 18.088 -5.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -21.985 19.738 -5.516 1.00 0.00 H new ATOM 1099 N GLY A 70 -24.573 13.718 -1.341 1.00 0.00 N ATOM 1100 CA GLY A 70 -25.345 12.608 -0.812 1.00 0.00 C ATOM 1101 C GLY A 70 -24.669 11.268 -1.029 1.00 0.00 C ATOM 1102 O GLY A 70 -24.244 10.619 -0.073 1.00 0.00 O ATOM 0 H GLY A 70 -24.002 13.493 -2.156 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -25.507 12.760 0.255 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -26.327 12.596 -1.285 1.00 0.00 H new ATOM 1106 N LYS A 71 -24.572 10.851 -2.288 1.00 0.00 N ATOM 1107 CA LYS A 71 -23.949 9.576 -2.631 1.00 0.00 C ATOM 1108 C LYS A 71 -22.438 9.728 -2.819 1.00 0.00 C ATOM 1109 O LYS A 71 -21.983 10.595 -3.568 1.00 0.00 O ATOM 1110 CB LYS A 71 -24.586 9.003 -3.900 1.00 0.00 C ATOM 1111 CG LYS A 71 -26.004 8.491 -3.692 1.00 0.00 C ATOM 1112 CD LYS A 71 -27.041 9.576 -3.953 1.00 0.00 C ATOM 1113 CE LYS A 71 -27.663 9.440 -5.337 1.00 0.00 C ATOM 1114 NZ LYS A 71 -27.682 10.736 -6.074 1.00 0.00 N ATOM 0 H LYS A 71 -24.918 11.379 -3.090 1.00 0.00 H new ATOM 0 HA LYS A 71 -24.116 8.886 -1.804 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -24.596 9.773 -4.671 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -23.965 8.188 -4.272 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -26.187 7.646 -4.356 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -26.112 8.123 -2.672 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -27.823 9.522 -3.196 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -26.574 10.556 -3.859 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -27.104 8.704 -5.914 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -28.681 9.063 -5.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -28.113 10.597 -7.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -28.237 11.433 -5.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -26.709 11.084 -6.190 1.00 0.00 H new ATOM 1128 N LEU A 72 -21.669 8.878 -2.134 1.00 0.00 N ATOM 1129 CA LEU A 72 -20.209 8.910 -2.223 1.00 0.00 C ATOM 1130 C LEU A 72 -19.674 7.637 -2.881 1.00 0.00 C ATOM 1131 O LEU A 72 -19.950 6.528 -2.421 1.00 0.00 O ATOM 1132 CB LEU A 72 -19.591 9.070 -0.828 1.00 0.00 C ATOM 1133 CG LEU A 72 -18.431 10.069 -0.731 1.00 0.00 C ATOM 1134 CD1 LEU A 72 -18.066 10.326 0.724 1.00 0.00 C ATOM 1135 CD2 LEU A 72 -17.218 9.563 -1.499 1.00 0.00 C ATOM 0 H LEU A 72 -22.035 8.158 -1.511 1.00 0.00 H new ATOM 0 HA LEU A 72 -19.929 9.765 -2.839 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -20.374 9.381 -0.136 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -19.237 8.095 -0.492 1.00 0.00 H new ATOM 0 HG LEU A 72 -18.754 11.009 -1.179 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -17.241 11.037 0.772 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -18.929 10.735 1.249 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -17.766 9.390 1.195 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -16.407 10.287 -1.417 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -16.896 8.609 -1.083 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -17.481 9.431 -2.548 1.00 0.00 H new ATOM 1147 N LYS A 73 -18.904 7.806 -3.956 1.00 0.00 N ATOM 1148 CA LYS A 73 -18.326 6.672 -4.674 1.00 0.00 C ATOM 1149 C LYS A 73 -16.848 6.498 -4.317 1.00 0.00 C ATOM 1150 O LYS A 73 -16.109 7.477 -4.209 1.00 0.00 O ATOM 1151 CB LYS A 73 -18.476 6.866 -6.185 1.00 0.00 C ATOM 1152 CG LYS A 73 -19.835 6.446 -6.725 1.00 0.00 C ATOM 1153 CD LYS A 73 -19.918 6.637 -8.233 1.00 0.00 C ATOM 1154 CE LYS A 73 -21.350 6.871 -8.693 1.00 0.00 C ATOM 1155 NZ LYS A 73 -22.040 5.599 -9.057 1.00 0.00 N ATOM 0 H LYS A 73 -18.667 8.717 -4.348 1.00 0.00 H new ATOM 0 HA LYS A 73 -18.864 5.773 -4.375 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -18.308 7.916 -6.426 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -17.700 6.294 -6.694 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -20.018 5.400 -6.479 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -20.617 7.030 -6.239 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -19.298 7.484 -8.527 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -19.514 5.757 -8.734 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -21.907 7.371 -7.901 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -21.349 7.541 -9.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -23.012 5.807 -9.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -21.524 5.134 -9.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -22.066 4.969 -8.230 1.00 0.00 H new ATOM 1169 N MET A 74 -16.426 5.246 -4.139 1.00 0.00 N ATOM 1170 CA MET A 74 -15.039 4.937 -3.797 1.00 0.00 C ATOM 1171 C MET A 74 -14.607 3.611 -4.423 1.00 0.00 C ATOM 1172 O MET A 74 -15.188 2.564 -4.137 1.00 0.00 O ATOM 1173 CB MET A 74 -14.863 4.869 -2.277 1.00 0.00 C ATOM 1174 CG MET A 74 -14.491 6.198 -1.639 1.00 0.00 C ATOM 1175 SD MET A 74 -15.143 6.371 0.035 1.00 0.00 S ATOM 1176 CE MET A 74 -14.511 4.881 0.805 1.00 0.00 C ATOM 0 H MET A 74 -17.028 4.427 -4.227 1.00 0.00 H new ATOM 0 HA MET A 74 -14.411 5.735 -4.194 1.00 0.00 H new ATOM 0 HB2 MET A 74 -15.790 4.509 -1.830 1.00 0.00 H new ATOM 0 HB3 MET A 74 -14.091 4.136 -2.043 1.00 0.00 H new ATOM 0 HG2 MET A 74 -13.405 6.293 -1.614 1.00 0.00 H new ATOM 0 HG3 MET A 74 -14.868 7.012 -2.258 1.00 0.00 H new ATOM 0 HE1 MET A 74 -14.645 4.945 1.885 1.00 0.00 H new ATOM 0 HE2 MET A 74 -15.053 4.016 0.422 1.00 0.00 H new ATOM 0 HE3 MET A 74 -13.450 4.775 0.577 1.00 0.00 H new ATOM 1186 N VAL A 75 -13.584 3.659 -5.272 1.00 0.00 N ATOM 1187 CA VAL A 75 -13.075 2.457 -5.927 1.00 0.00 C ATOM 1188 C VAL A 75 -11.841 1.927 -5.199 1.00 0.00 C ATOM 1189 O VAL A 75 -10.781 2.555 -5.224 1.00 0.00 O ATOM 1190 CB VAL A 75 -12.717 2.723 -7.405 1.00 0.00 C ATOM 1191 CG1 VAL A 75 -12.364 1.424 -8.117 1.00 0.00 C ATOM 1192 CG2 VAL A 75 -13.858 3.436 -8.118 1.00 0.00 C ATOM 0 H VAL A 75 -13.091 4.516 -5.523 1.00 0.00 H new ATOM 0 HA VAL A 75 -13.869 1.712 -5.890 1.00 0.00 H new ATOM 0 HB VAL A 75 -11.842 3.373 -7.430 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -12.115 1.635 -9.157 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -11.508 0.961 -7.626 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -13.216 0.745 -8.078 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -13.583 3.613 -9.158 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -14.754 2.817 -8.080 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -14.054 4.389 -7.627 1.00 0.00 H new ATOM 1202 N VAL A 76 -11.986 0.768 -4.555 1.00 0.00 N ATOM 1203 CA VAL A 76 -10.882 0.152 -3.817 1.00 0.00 C ATOM 1204 C VAL A 76 -10.327 -1.068 -4.556 1.00 0.00 C ATOM 1205 O VAL A 76 -10.911 -1.532 -5.538 1.00 0.00 O ATOM 1206 CB VAL A 76 -11.314 -0.275 -2.396 1.00 0.00 C ATOM 1207 CG1 VAL A 76 -11.496 0.943 -1.502 1.00 0.00 C ATOM 1208 CG2 VAL A 76 -12.587 -1.106 -2.447 1.00 0.00 C ATOM 0 H VAL A 76 -12.857 0.237 -4.529 1.00 0.00 H new ATOM 0 HA VAL A 76 -10.103 0.910 -3.739 1.00 0.00 H new ATOM 0 HB VAL A 76 -10.524 -0.894 -1.970 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -11.800 0.621 -0.506 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -10.555 1.489 -1.435 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -12.263 1.592 -1.924 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -12.873 -1.396 -1.436 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -13.387 -0.518 -2.896 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -12.414 -2.000 -3.046 1.00 0.00 H new ATOM 1218 N GLN A 77 -9.194 -1.580 -4.074 1.00 0.00 N ATOM 1219 CA GLN A 77 -8.549 -2.744 -4.681 1.00 0.00 C ATOM 1220 C GLN A 77 -8.797 -4.010 -3.860 1.00 0.00 C ATOM 1221 O GLN A 77 -8.873 -3.958 -2.630 1.00 0.00 O ATOM 1222 CB GLN A 77 -7.042 -2.504 -4.807 1.00 0.00 C ATOM 1223 CG GLN A 77 -6.362 -3.412 -5.820 1.00 0.00 C ATOM 1224 CD GLN A 77 -5.205 -4.193 -5.226 1.00 0.00 C ATOM 1225 OE1 GLN A 77 -4.058 -4.032 -5.639 1.00 0.00 O ATOM 1226 NE2 GLN A 77 -5.501 -5.049 -4.251 1.00 0.00 N ATOM 0 H GLN A 77 -8.703 -1.205 -3.262 1.00 0.00 H new ATOM 0 HA GLN A 77 -8.983 -2.886 -5.671 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -6.871 -1.465 -5.090 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -6.577 -2.649 -3.832 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -7.095 -4.109 -6.226 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -5.999 -2.811 -6.654 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -6.466 -5.152 -3.938 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -4.762 -5.602 -3.816 1.00 0.00 H new ATOM 1321 N THR B 1 -13.336 -3.692 -6.977 1.00 0.00 N ATOM 1322 CA THR B 1 -14.481 -3.504 -6.043 1.00 0.00 C ATOM 1323 C THR B 1 -14.899 -2.036 -5.968 1.00 0.00 C ATOM 1324 O THR B 1 -14.125 -1.182 -5.531 1.00 0.00 O ATOM 1325 CB THR B 1 -14.077 -4.014 -4.653 1.00 0.00 C ATOM 1326 OG1 THR B 1 -13.440 -5.279 -4.747 1.00 0.00 O ATOM 1327 CG2 THR B 1 -15.245 -4.154 -3.698 1.00 0.00 C ATOM 0 H1 THR B 1 -12.829 -4.567 -6.733 1.00 0.00 H new ATOM 0 H2 THR B 1 -13.691 -3.758 -7.952 1.00 0.00 H new ATOM 0 H3 THR B 1 -12.688 -2.883 -6.899 1.00 0.00 H new ATOM 0 HA THR B 1 -15.336 -4.070 -6.412 1.00 0.00 H new ATOM 0 HB THR B 1 -13.398 -3.259 -4.257 1.00 0.00 H new ATOM 0 HG1 THR B 1 -13.189 -5.586 -3.851 1.00 0.00 H new ATOM 0 HG21 THR B 1 -14.886 -4.519 -2.735 1.00 0.00 H new ATOM 0 HG22 THR B 1 -15.723 -3.184 -3.563 1.00 0.00 H new ATOM 0 HG23 THR B 1 -15.967 -4.860 -4.107 1.00 0.00 H new ATOM 1337 N LYS B 2 -16.127 -1.749 -6.402 1.00 0.00 N ATOM 1338 CA LYS B 2 -16.649 -0.385 -6.387 1.00 0.00 C ATOM 1339 C LYS B 2 -17.544 -0.155 -5.172 1.00 0.00 C ATOM 1340 O LYS B 2 -18.507 -0.890 -4.951 1.00 0.00 O ATOM 1341 CB LYS B 2 -17.426 -0.099 -7.676 1.00 0.00 C ATOM 1342 CG LYS B 2 -16.938 1.137 -8.415 1.00 0.00 C ATOM 1343 CD LYS B 2 -17.307 1.087 -9.890 1.00 0.00 C ATOM 1344 CE LYS B 2 -16.392 1.971 -10.726 1.00 0.00 C ATOM 1345 NZ LYS B 2 -16.561 3.419 -10.405 1.00 0.00 N ATOM 0 H LYS B 2 -16.778 -2.444 -6.768 1.00 0.00 H new ATOM 0 HA LYS B 2 -15.804 0.300 -6.323 1.00 0.00 H new ATOM 0 HB2 LYS B 2 -17.349 -0.962 -8.337 1.00 0.00 H new ATOM 0 HB3 LYS B 2 -18.482 0.024 -7.435 1.00 0.00 H new ATOM 0 HG2 LYS B 2 -17.371 2.028 -7.961 1.00 0.00 H new ATOM 0 HG3 LYS B 2 -15.856 1.220 -8.312 1.00 0.00 H new ATOM 0 HD2 LYS B 2 -17.246 0.059 -10.246 1.00 0.00 H new ATOM 0 HD3 LYS B 2 -18.341 1.408 -10.018 1.00 0.00 H new ATOM 0 HE2 LYS B 2 -15.355 1.681 -10.556 1.00 0.00 H new ATOM 0 HE3 LYS B 2 -16.599 1.808 -11.784 1.00 0.00 H new ATOM 0 HZ1 LYS B 2 -15.919 3.983 -10.997 1.00 0.00 H new ATOM 0 HZ2 LYS B 2 -17.544 3.704 -10.591 1.00 0.00 H new ATOM 0 HZ3 LYS B 2 -16.338 3.581 -9.402 1.00 0.00 H new ATOM 1359 N VAL B 3 -17.216 0.871 -4.391 1.00 0.00 N ATOM 1360 CA VAL B 3 -17.979 1.207 -3.193 1.00 0.00 C ATOM 1361 C VAL B 3 -18.870 2.424 -3.443 1.00 0.00 C ATOM 1362 O VAL B 3 -18.391 3.478 -3.860 1.00 0.00 O ATOM 1363 CB VAL B 3 -17.044 1.501 -2.000 1.00 0.00 C ATOM 1364 CG1 VAL B 3 -17.841 1.682 -0.717 1.00 0.00 C ATOM 1365 CG2 VAL B 3 -16.010 0.394 -1.843 1.00 0.00 C ATOM 0 H VAL B 3 -16.422 1.487 -4.568 1.00 0.00 H new ATOM 0 HA VAL B 3 -18.601 0.345 -2.952 1.00 0.00 H new ATOM 0 HB VAL B 3 -16.518 2.434 -2.203 1.00 0.00 H new ATOM 0 HG11 VAL B 3 -17.160 1.888 0.109 1.00 0.00 H new ATOM 0 HG12 VAL B 3 -18.533 2.516 -0.833 1.00 0.00 H new ATOM 0 HG13 VAL B 3 -18.402 0.772 -0.506 1.00 0.00 H new ATOM 0 HG21 VAL B 3 -15.361 0.620 -0.997 1.00 0.00 H new ATOM 0 HG22 VAL B 3 -16.517 -0.555 -1.668 1.00 0.00 H new ATOM 0 HG23 VAL B 3 -15.411 0.324 -2.751 1.00 0.00 H new ATOM 1375 N THR B 4 -20.168 2.269 -3.190 1.00 0.00 N ATOM 1376 CA THR B 4 -21.121 3.358 -3.392 1.00 0.00 C ATOM 1377 C THR B 4 -21.983 3.575 -2.149 1.00 0.00 C ATOM 1378 O THR B 4 -22.837 2.750 -1.820 1.00 0.00 O ATOM 1379 CB THR B 4 -22.010 3.077 -4.611 1.00 0.00 C ATOM 1380 OG1 THR B 4 -21.334 2.272 -5.564 1.00 0.00 O ATOM 1381 CG2 THR B 4 -22.462 4.336 -5.320 1.00 0.00 C ATOM 0 H THR B 4 -20.583 1.403 -2.846 1.00 0.00 H new ATOM 0 HA THR B 4 -20.552 4.269 -3.574 1.00 0.00 H new ATOM 0 HB THR B 4 -22.883 2.561 -4.212 1.00 0.00 H new ATOM 0 HG1 THR B 4 -21.923 2.107 -6.329 1.00 0.00 H new ATOM 0 HG21 THR B 4 -23.087 4.069 -6.172 1.00 0.00 H new ATOM 0 HG22 THR B 4 -23.035 4.956 -4.630 1.00 0.00 H new ATOM 0 HG23 THR B 4 -21.590 4.890 -5.668 1.00 0.00 H new ATOM 1389 N LEU B 5 -21.750 4.695 -1.465 1.00 0.00 N ATOM 1390 CA LEU B 5 -22.498 5.040 -0.257 1.00 0.00 C ATOM 1391 C LEU B 5 -23.595 6.053 -0.574 1.00 0.00 C ATOM 1392 O LEU B 5 -23.521 6.765 -1.578 1.00 0.00 O ATOM 1393 CB LEU B 5 -21.556 5.618 0.807 1.00 0.00 C ATOM 1394 CG LEU B 5 -20.544 4.630 1.398 1.00 0.00 C ATOM 1395 CD1 LEU B 5 -21.246 3.381 1.912 1.00 0.00 C ATOM 1396 CD2 LEU B 5 -19.486 4.264 0.365 1.00 0.00 C ATOM 0 H LEU B 5 -21.044 5.383 -1.729 1.00 0.00 H new ATOM 0 HA LEU B 5 -22.958 4.130 0.128 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -21.009 6.453 0.368 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -22.159 6.024 1.620 1.00 0.00 H new ATOM 0 HG LEU B 5 -20.049 5.113 2.240 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -20.509 2.694 2.327 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -21.960 3.658 2.687 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -21.772 2.895 1.090 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -18.777 3.562 0.804 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -19.965 3.804 -0.499 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -18.958 5.164 0.050 1.00 0.00 H new ATOM 1408 N VAL B 6 -24.610 6.121 0.288 1.00 0.00 N ATOM 1409 CA VAL B 6 -25.715 7.057 0.092 1.00 0.00 C ATOM 1410 C VAL B 6 -26.078 7.766 1.397 1.00 0.00 C ATOM 1411 O VAL B 6 -26.805 7.225 2.231 1.00 0.00 O ATOM 1412 CB VAL B 6 -26.973 6.357 -0.469 1.00 0.00 C ATOM 1413 CG1 VAL B 6 -28.008 7.388 -0.895 1.00 0.00 C ATOM 1414 CG2 VAL B 6 -26.611 5.443 -1.632 1.00 0.00 C ATOM 0 H VAL B 6 -24.689 5.542 1.124 1.00 0.00 H new ATOM 0 HA VAL B 6 -25.371 7.791 -0.636 1.00 0.00 H new ATOM 0 HB VAL B 6 -27.404 5.742 0.321 1.00 0.00 H new ATOM 0 HG11 VAL B 6 -28.888 6.879 -1.288 1.00 0.00 H new ATOM 0 HG12 VAL B 6 -28.293 7.994 -0.035 1.00 0.00 H new ATOM 0 HG13 VAL B 6 -27.585 8.030 -1.668 1.00 0.00 H new ATOM 0 HG21 VAL B 6 -27.513 4.961 -2.010 1.00 0.00 H new ATOM 0 HG22 VAL B 6 -26.152 6.030 -2.427 1.00 0.00 H new ATOM 0 HG23 VAL B 6 -25.909 4.682 -1.292 1.00 0.00 H new ATOM 1424 N LYS B 7 -25.572 8.988 1.556 1.00 0.00 N ATOM 1425 CA LYS B 7 -25.841 9.788 2.748 1.00 0.00 C ATOM 1426 C LYS B 7 -27.202 10.474 2.639 1.00 0.00 C ATOM 1427 O LYS B 7 -27.465 11.193 1.674 1.00 0.00 O ATOM 1428 CB LYS B 7 -24.740 10.837 2.944 1.00 0.00 C ATOM 1429 CG LYS B 7 -24.913 11.686 4.196 1.00 0.00 C ATOM 1430 CD LYS B 7 -24.219 13.034 4.065 1.00 0.00 C ATOM 1431 CE LYS B 7 -22.704 12.889 4.066 1.00 0.00 C ATOM 1432 NZ LYS B 7 -22.038 13.976 4.838 1.00 0.00 N ATOM 0 H LYS B 7 -24.971 9.446 0.871 1.00 0.00 H new ATOM 0 HA LYS B 7 -25.854 9.123 3.611 1.00 0.00 H new ATOM 0 HB2 LYS B 7 -23.775 10.332 2.990 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -24.717 11.492 2.073 1.00 0.00 H new ATOM 0 HG2 LYS B 7 -25.975 11.841 4.386 1.00 0.00 H new ATOM 0 HG3 LYS B 7 -24.510 11.152 5.056 1.00 0.00 H new ATOM 0 HD2 LYS B 7 -24.538 13.519 3.142 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -24.523 13.682 4.887 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -22.433 11.923 4.493 1.00 0.00 H new ATOM 0 HE3 LYS B 7 -22.339 12.898 3.039 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -21.007 13.839 4.813 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -22.275 14.897 4.416 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -22.366 13.952 5.825 1.00 0.00 H new ATOM 1532 N GLU B 13 -23.741 9.520 9.134 1.00 0.00 N ATOM 1533 CA GLU B 13 -22.650 9.927 8.251 1.00 0.00 C ATOM 1534 C GLU B 13 -21.852 8.714 7.778 1.00 0.00 C ATOM 1535 O GLU B 13 -22.038 7.604 8.281 1.00 0.00 O ATOM 1536 CB GLU B 13 -21.729 10.919 8.966 1.00 0.00 C ATOM 1537 CG GLU B 13 -22.017 12.372 8.613 1.00 0.00 C ATOM 1538 CD GLU B 13 -21.032 13.344 9.238 1.00 0.00 C ATOM 1539 OE1 GLU B 13 -19.878 12.943 9.503 1.00 0.00 O ATOM 1540 OE2 GLU B 13 -21.416 14.511 9.458 1.00 0.00 O ATOM 0 HA GLU B 13 -23.083 10.414 7.377 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -21.831 10.787 10.043 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -20.694 10.690 8.714 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -21.994 12.488 7.529 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -23.025 12.626 8.940 1.00 0.00 H new ATOM 1547 N TYR B 14 -20.963 8.933 6.807 1.00 0.00 N ATOM 1548 CA TYR B 14 -20.132 7.855 6.264 1.00 0.00 C ATOM 1549 C TYR B 14 -19.288 7.210 7.359 1.00 0.00 C ATOM 1550 O TYR B 14 -19.164 5.986 7.415 1.00 0.00 O ATOM 1551 CB TYR B 14 -19.219 8.377 5.150 1.00 0.00 C ATOM 1552 CG TYR B 14 -19.945 9.111 4.042 1.00 0.00 C ATOM 1553 CD1 TYR B 14 -20.851 8.450 3.218 1.00 0.00 C ATOM 1554 CD2 TYR B 14 -19.722 10.463 3.818 1.00 0.00 C ATOM 1555 CE1 TYR B 14 -21.510 9.117 2.204 1.00 0.00 C ATOM 1556 CE2 TYR B 14 -20.377 11.136 2.806 1.00 0.00 C ATOM 1557 CZ TYR B 14 -21.269 10.460 2.003 1.00 0.00 C ATOM 1558 OH TYR B 14 -21.920 11.132 0.995 1.00 0.00 O ATOM 0 H TYR B 14 -20.800 9.845 6.381 1.00 0.00 H new ATOM 0 HA TYR B 14 -20.802 7.103 5.848 1.00 0.00 H new ATOM 0 HB2 TYR B 14 -18.477 9.045 5.587 1.00 0.00 H new ATOM 0 HB3 TYR B 14 -18.676 7.537 4.718 1.00 0.00 H new ATOM 0 HD1 TYR B 14 -21.042 7.399 3.374 1.00 0.00 H new ATOM 0 HD2 TYR B 14 -19.024 10.997 4.446 1.00 0.00 H new ATOM 0 HE1 TYR B 14 -22.210 8.590 1.572 1.00 0.00 H new ATOM 0 HE2 TYR B 14 -20.191 12.188 2.645 1.00 0.00 H new ATOM 0 HH TYR B 14 -22.837 10.796 0.917 1.00 0.00 H new ATOM 1568 N GLY B 15 -18.711 8.044 8.230 1.00 0.00 N ATOM 1569 CA GLY B 15 -17.887 7.547 9.319 1.00 0.00 C ATOM 1570 C GLY B 15 -16.808 6.585 8.855 1.00 0.00 C ATOM 1571 O GLY B 15 -16.711 5.469 9.361 1.00 0.00 O ATOM 0 H GLY B 15 -18.803 9.059 8.197 1.00 0.00 H new ATOM 0 HA2 GLY B 15 -17.420 8.390 9.828 1.00 0.00 H new ATOM 0 HA3 GLY B 15 -18.523 7.046 10.049 1.00 0.00 H new ATOM 1575 N LEU B 16 -15.998 7.015 7.888 1.00 0.00 N ATOM 1576 CA LEU B 16 -14.925 6.171 7.366 1.00 0.00 C ATOM 1577 C LEU B 16 -13.559 6.822 7.587 1.00 0.00 C ATOM 1578 O LEU B 16 -13.284 7.905 7.068 1.00 0.00 O ATOM 1579 CB LEU B 16 -15.143 5.873 5.876 1.00 0.00 C ATOM 1580 CG LEU B 16 -15.222 7.098 4.956 1.00 0.00 C ATOM 1581 CD1 LEU B 16 -13.907 7.302 4.218 1.00 0.00 C ATOM 1582 CD2 LEU B 16 -16.370 6.948 3.967 1.00 0.00 C ATOM 0 H LEU B 16 -16.064 7.935 7.453 1.00 0.00 H new ATOM 0 HA LEU B 16 -14.945 5.228 7.913 1.00 0.00 H new ATOM 0 HB2 LEU B 16 -14.331 5.234 5.530 1.00 0.00 H new ATOM 0 HB3 LEU B 16 -16.065 5.302 5.770 1.00 0.00 H new ATOM 0 HG LEU B 16 -15.408 7.977 5.572 1.00 0.00 H new ATOM 0 HD11 LEU B 16 -13.985 8.176 3.571 1.00 0.00 H new ATOM 0 HD12 LEU B 16 -13.105 7.455 4.940 1.00 0.00 H new ATOM 0 HD13 LEU B 16 -13.688 6.422 3.614 1.00 0.00 H new ATOM 0 HD21 LEU B 16 -16.412 7.826 3.322 1.00 0.00 H new ATOM 0 HD22 LEU B 16 -16.212 6.058 3.358 1.00 0.00 H new ATOM 0 HD23 LEU B 16 -17.309 6.853 4.512 1.00 0.00 H new ATOM 1594 N ARG B 17 -12.708 6.151 8.365 1.00 0.00 N ATOM 1595 CA ARG B 17 -11.367 6.654 8.660 1.00 0.00 C ATOM 1596 C ARG B 17 -10.473 6.551 7.427 1.00 0.00 C ATOM 1597 O ARG B 17 -10.182 5.455 6.949 1.00 0.00 O ATOM 1598 CB ARG B 17 -10.746 5.882 9.829 1.00 0.00 C ATOM 1599 CG ARG B 17 -10.407 6.755 11.028 1.00 0.00 C ATOM 1600 CD ARG B 17 -9.134 6.288 11.720 1.00 0.00 C ATOM 1601 NE ARG B 17 -9.232 6.376 13.179 1.00 0.00 N ATOM 1602 CZ ARG B 17 -8.181 6.458 13.999 1.00 0.00 C ATOM 1603 NH1 ARG B 17 -6.941 6.468 13.514 1.00 0.00 N ATOM 1604 NH2 ARG B 17 -8.369 6.531 15.312 1.00 0.00 N ATOM 0 H ARG B 17 -12.925 5.256 8.803 1.00 0.00 H new ATOM 0 HA ARG B 17 -11.452 7.703 8.943 1.00 0.00 H new ATOM 0 HB2 ARG B 17 -11.437 5.100 10.144 1.00 0.00 H new ATOM 0 HB3 ARG B 17 -9.839 5.386 9.484 1.00 0.00 H new ATOM 0 HG2 ARG B 17 -10.287 7.789 10.704 1.00 0.00 H new ATOM 0 HG3 ARG B 17 -11.235 6.737 11.737 1.00 0.00 H new ATOM 0 HD2 ARG B 17 -8.924 5.258 11.433 1.00 0.00 H new ATOM 0 HD3 ARG B 17 -8.294 6.892 11.377 1.00 0.00 H new ATOM 0 HE ARG B 17 -10.163 6.375 13.596 1.00 0.00 H new ATOM 0 HH11 ARG B 17 -6.787 6.413 12.507 1.00 0.00 H new ATOM 0 HH12 ARG B 17 -6.145 6.531 14.149 1.00 0.00 H new ATOM 0 HH21 ARG B 17 -9.315 6.524 15.693 1.00 0.00 H new ATOM 0 HH22 ARG B 17 -7.567 6.594 15.939 1.00 0.00 H new ATOM 1618 N LEU B 18 -10.053 7.703 6.911 1.00 0.00 N ATOM 1619 CA LEU B 18 -9.205 7.750 5.726 1.00 0.00 C ATOM 1620 C LEU B 18 -7.733 7.936 6.095 1.00 0.00 C ATOM 1621 O LEU B 18 -7.396 8.740 6.967 1.00 0.00 O ATOM 1622 CB LEU B 18 -9.663 8.884 4.803 1.00 0.00 C ATOM 1623 CG LEU B 18 -9.529 8.609 3.302 1.00 0.00 C ATOM 1624 CD1 LEU B 18 -8.063 8.545 2.901 1.00 0.00 C ATOM 1625 CD2 LEU B 18 -10.250 7.322 2.924 1.00 0.00 C ATOM 0 H LEU B 18 -10.287 8.618 7.297 1.00 0.00 H new ATOM 0 HA LEU B 18 -9.300 6.796 5.207 1.00 0.00 H new ATOM 0 HB2 LEU B 18 -10.707 9.107 5.022 1.00 0.00 H new ATOM 0 HB3 LEU B 18 -9.089 9.779 5.043 1.00 0.00 H new ATOM 0 HG LEU B 18 -9.996 9.430 2.759 1.00 0.00 H new ATOM 0 HD11 LEU B 18 -7.987 8.349 1.832 1.00 0.00 H new ATOM 0 HD12 LEU B 18 -7.581 9.495 3.131 1.00 0.00 H new ATOM 0 HD13 LEU B 18 -7.569 7.745 3.453 1.00 0.00 H new ATOM 0 HD21 LEU B 18 -10.142 7.146 1.854 1.00 0.00 H new ATOM 0 HD22 LEU B 18 -9.817 6.487 3.475 1.00 0.00 H new ATOM 0 HD23 LEU B 18 -11.308 7.411 3.172 1.00 0.00 H new ATOM 1637 N ALA B 19 -6.864 7.188 5.415 1.00 0.00 N ATOM 1638 CA ALA B 19 -5.424 7.257 5.648 1.00 0.00 C ATOM 1639 C ALA B 19 -4.657 7.194 4.325 1.00 0.00 C ATOM 1640 O ALA B 19 -5.261 7.093 3.255 1.00 0.00 O ATOM 1641 CB ALA B 19 -4.988 6.130 6.570 1.00 0.00 C ATOM 0 H ALA B 19 -7.137 6.522 4.692 1.00 0.00 H new ATOM 0 HA ALA B 19 -5.197 8.209 6.127 1.00 0.00 H new ATOM 0 HB1 ALA B 19 -3.913 6.192 6.737 1.00 0.00 H new ATOM 0 HB2 ALA B 19 -5.509 6.218 7.524 1.00 0.00 H new ATOM 0 HB3 ALA B 19 -5.230 5.171 6.112 1.00 0.00 H new ATOM 1647 N SER B 20 -3.325 7.258 4.399 1.00 0.00 N ATOM 1648 CA SER B 20 -2.496 7.209 3.195 1.00 0.00 C ATOM 1649 C SER B 20 -1.155 6.524 3.458 1.00 0.00 C ATOM 1650 O SER B 20 -0.663 6.505 4.588 1.00 0.00 O ATOM 1651 CB SER B 20 -2.262 8.622 2.654 1.00 0.00 C ATOM 1652 OG SER B 20 -1.684 9.460 3.638 1.00 0.00 O ATOM 0 H SER B 20 -2.803 7.343 5.271 1.00 0.00 H new ATOM 0 HA SER B 20 -3.033 6.620 2.451 1.00 0.00 H new ATOM 0 HB2 SER B 20 -1.609 8.577 1.783 1.00 0.00 H new ATOM 0 HB3 SER B 20 -3.209 9.048 2.321 1.00 0.00 H new ATOM 0 HG SER B 20 -1.194 10.188 3.201 1.00 0.00 H new ATOM 1658 N HIS B 21 -0.572 5.964 2.398 1.00 0.00 N ATOM 1659 CA HIS B 21 0.712 5.277 2.493 1.00 0.00 C ATOM 1660 C HIS B 21 1.737 5.913 1.550 1.00 0.00 C ATOM 1661 O HIS B 21 1.413 6.837 0.801 1.00 0.00 O ATOM 1662 CB HIS B 21 0.541 3.793 2.151 1.00 0.00 C ATOM 1663 CG HIS B 21 0.599 2.897 3.344 1.00 0.00 C ATOM 1664 ND1 HIS B 21 -0.132 2.891 4.481 1.00 0.00 N flip ATOM 1665 CD2 HIS B 21 1.491 1.853 3.459 1.00 0.00 C flip ATOM 1666 CE1 HIS B 21 0.327 1.856 5.257 1.00 0.00 C flip ATOM 1667 NE2 HIS B 21 1.306 1.245 4.615 1.00 0.00 N flip ATOM 0 H HIS B 21 -0.973 5.974 1.460 1.00 0.00 H new ATOM 0 HA HIS B 21 1.076 5.370 3.516 1.00 0.00 H new ATOM 0 HB2 HIS B 21 -0.415 3.652 1.647 1.00 0.00 H new ATOM 0 HB3 HIS B 21 1.319 3.498 1.447 1.00 0.00 H new ATOM 0 HD1 HIS B 21 -0.885 3.536 4.718 1.00 0.00 H new ATOM 0 HD2 HIS B 21 2.227 1.576 2.718 1.00 0.00 H new ATOM 0 HE1 HIS B 21 -0.050 1.586 6.232 1.00 0.00 H new ATOM 1676 N ILE B 22 2.972 5.413 1.591 1.00 0.00 N ATOM 1677 CA ILE B 22 4.039 5.936 0.740 1.00 0.00 C ATOM 1678 C ILE B 22 4.781 4.810 0.027 1.00 0.00 C ATOM 1679 O ILE B 22 5.074 3.770 0.622 1.00 0.00 O ATOM 1680 CB ILE B 22 5.050 6.773 1.557 1.00 0.00 C ATOM 1681 CG1 ILE B 22 4.327 7.867 2.348 1.00 0.00 C ATOM 1682 CG2 ILE B 22 6.106 7.385 0.647 1.00 0.00 C ATOM 1683 CD1 ILE B 22 3.652 8.907 1.477 1.00 0.00 C ATOM 0 H ILE B 22 3.257 4.648 2.203 1.00 0.00 H new ATOM 0 HA ILE B 22 3.565 6.577 -0.003 1.00 0.00 H new ATOM 0 HB ILE B 22 5.550 6.108 2.262 1.00 0.00 H new ATOM 0 HG12 ILE B 22 3.578 7.403 2.990 1.00 0.00 H new ATOM 0 HG13 ILE B 22 5.044 8.364 3.002 1.00 0.00 H new ATOM 0 HG21 ILE B 22 6.806 7.969 1.244 1.00 0.00 H new ATOM 0 HG22 ILE B 22 6.645 6.591 0.130 1.00 0.00 H new ATOM 0 HG23 ILE B 22 5.624 8.033 -0.085 1.00 0.00 H new ATOM 0 HD11 ILE B 22 3.162 9.648 2.109 1.00 0.00 H new ATOM 0 HD12 ILE B 22 4.398 9.399 0.853 1.00 0.00 H new ATOM 0 HD13 ILE B 22 2.910 8.423 0.842 1.00 0.00 H new ATOM 1695 N PHE B 23 5.087 5.026 -1.251 1.00 0.00 N ATOM 1696 CA PHE B 23 5.800 4.032 -2.049 1.00 0.00 C ATOM 1697 C PHE B 23 6.698 4.702 -3.092 1.00 0.00 C ATOM 1698 O PHE B 23 6.687 5.926 -3.240 1.00 0.00 O ATOM 1699 CB PHE B 23 4.806 3.089 -2.735 1.00 0.00 C ATOM 1700 CG PHE B 23 4.023 3.738 -3.842 1.00 0.00 C ATOM 1701 CD1 PHE B 23 3.072 4.705 -3.563 1.00 0.00 C ATOM 1702 CD2 PHE B 23 4.242 3.381 -5.163 1.00 0.00 C ATOM 1703 CE1 PHE B 23 2.357 5.306 -4.578 1.00 0.00 C ATOM 1704 CE2 PHE B 23 3.531 3.980 -6.183 1.00 0.00 C ATOM 1705 CZ PHE B 23 2.585 4.943 -5.890 1.00 0.00 C ATOM 0 H PHE B 23 4.852 5.881 -1.756 1.00 0.00 H new ATOM 0 HA PHE B 23 6.434 3.453 -1.378 1.00 0.00 H new ATOM 0 HB2 PHE B 23 5.349 2.234 -3.139 1.00 0.00 H new ATOM 0 HB3 PHE B 23 4.112 2.702 -1.989 1.00 0.00 H new ATOM 0 HD1 PHE B 23 2.888 4.992 -2.538 1.00 0.00 H new ATOM 0 HD2 PHE B 23 4.977 2.625 -5.397 1.00 0.00 H new ATOM 0 HE1 PHE B 23 1.619 6.060 -4.346 1.00 0.00 H new ATOM 0 HE2 PHE B 23 3.714 3.696 -7.209 1.00 0.00 H new ATOM 0 HZ PHE B 23 2.025 5.411 -6.686 1.00 0.00 H new ATOM 1715 N VAL B 24 7.471 3.890 -3.813 1.00 0.00 N ATOM 1716 CA VAL B 24 8.373 4.400 -4.842 1.00 0.00 C ATOM 1717 C VAL B 24 7.823 4.120 -6.239 1.00 0.00 C ATOM 1718 O VAL B 24 7.741 2.966 -6.664 1.00 0.00 O ATOM 1719 CB VAL B 24 9.785 3.781 -4.718 1.00 0.00 C ATOM 1720 CG1 VAL B 24 10.765 4.473 -5.657 1.00 0.00 C ATOM 1721 CG2 VAL B 24 10.277 3.855 -3.280 1.00 0.00 C ATOM 0 H VAL B 24 7.490 2.876 -3.702 1.00 0.00 H new ATOM 0 HA VAL B 24 8.448 5.477 -4.692 1.00 0.00 H new ATOM 0 HB VAL B 24 9.723 2.732 -5.007 1.00 0.00 H new ATOM 0 HG11 VAL B 24 11.751 4.020 -5.552 1.00 0.00 H new ATOM 0 HG12 VAL B 24 10.423 4.362 -6.686 1.00 0.00 H new ATOM 0 HG13 VAL B 24 10.823 5.532 -5.406 1.00 0.00 H new ATOM 0 HG21 VAL B 24 11.272 3.415 -3.213 1.00 0.00 H new ATOM 0 HG22 VAL B 24 10.319 4.897 -2.963 1.00 0.00 H new ATOM 0 HG23 VAL B 24 9.593 3.306 -2.633 1.00 0.00 H new ATOM 1731 N LYS B 25 7.455 5.186 -6.950 1.00 0.00 N ATOM 1732 CA LYS B 25 6.918 5.061 -8.305 1.00 0.00 C ATOM 1733 C LYS B 25 7.953 4.453 -9.254 1.00 0.00 C ATOM 1734 O LYS B 25 7.612 3.644 -10.118 1.00 0.00 O ATOM 1735 CB LYS B 25 6.467 6.429 -8.829 1.00 0.00 C ATOM 1736 CG LYS B 25 5.303 6.361 -9.806 1.00 0.00 C ATOM 1737 CD LYS B 25 3.989 6.051 -9.102 1.00 0.00 C ATOM 1738 CE LYS B 25 2.838 5.925 -10.091 1.00 0.00 C ATOM 1739 NZ LYS B 25 1.931 4.788 -9.759 1.00 0.00 N ATOM 0 H LYS B 25 7.519 6.146 -6.610 1.00 0.00 H new ATOM 0 HA LYS B 25 6.057 4.394 -8.264 1.00 0.00 H new ATOM 0 HB2 LYS B 25 6.183 7.055 -7.983 1.00 0.00 H new ATOM 0 HB3 LYS B 25 7.311 6.916 -9.318 1.00 0.00 H new ATOM 0 HG2 LYS B 25 5.217 7.310 -10.335 1.00 0.00 H new ATOM 0 HG3 LYS B 25 5.503 5.596 -10.556 1.00 0.00 H new ATOM 0 HD2 LYS B 25 4.088 5.123 -8.538 1.00 0.00 H new ATOM 0 HD3 LYS B 25 3.766 6.839 -8.383 1.00 0.00 H new ATOM 0 HE2 LYS B 25 2.266 6.853 -10.100 1.00 0.00 H new ATOM 0 HE3 LYS B 25 3.238 5.787 -11.096 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 1.163 4.741 -10.459 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 2.469 3.898 -9.775 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 1.528 4.931 -8.811 1.00 0.00 H new ATOM 1753 N GLU B 26 9.216 4.847 -9.081 1.00 0.00 N ATOM 1754 CA GLU B 26 10.307 4.344 -9.918 1.00 0.00 C ATOM 1755 C GLU B 26 11.656 4.854 -9.419 1.00 0.00 C ATOM 1756 O GLU B 26 11.721 5.676 -8.504 1.00 0.00 O ATOM 1757 CB GLU B 26 10.102 4.760 -11.381 1.00 0.00 C ATOM 1758 CG GLU B 26 9.823 6.245 -11.559 1.00 0.00 C ATOM 1759 CD GLU B 26 9.465 6.615 -12.988 1.00 0.00 C ATOM 1760 OE1 GLU B 26 8.528 6.003 -13.545 1.00 0.00 O ATOM 1761 OE2 GLU B 26 10.118 7.521 -13.545 1.00 0.00 O ATOM 0 H GLU B 26 9.509 5.514 -8.367 1.00 0.00 H new ATOM 0 HA GLU B 26 10.301 3.256 -9.855 1.00 0.00 H new ATOM 0 HB2 GLU B 26 10.991 4.495 -11.953 1.00 0.00 H new ATOM 0 HB3 GLU B 26 9.272 4.190 -11.799 1.00 0.00 H new ATOM 0 HG2 GLU B 26 9.007 6.537 -10.899 1.00 0.00 H new ATOM 0 HG3 GLU B 26 10.701 6.813 -11.252 1.00 0.00 H new ATOM 1768 N ILE B 27 12.733 4.364 -10.030 1.00 0.00 N ATOM 1769 CA ILE B 27 14.082 4.778 -9.653 1.00 0.00 C ATOM 1770 C ILE B 27 14.864 5.255 -10.873 1.00 0.00 C ATOM 1771 O ILE B 27 14.857 4.605 -11.919 1.00 0.00 O ATOM 1772 CB ILE B 27 14.867 3.639 -8.967 1.00 0.00 C ATOM 1773 CG1 ILE B 27 14.043 3.023 -7.832 1.00 0.00 C ATOM 1774 CG2 ILE B 27 16.198 4.154 -8.437 1.00 0.00 C ATOM 1775 CD1 ILE B 27 13.932 1.517 -7.915 1.00 0.00 C ATOM 0 H ILE B 27 12.697 3.681 -10.787 1.00 0.00 H new ATOM 0 HA ILE B 27 13.969 5.598 -8.943 1.00 0.00 H new ATOM 0 HB ILE B 27 15.065 2.865 -9.708 1.00 0.00 H new ATOM 0 HG12 ILE B 27 14.494 3.294 -6.878 1.00 0.00 H new ATOM 0 HG13 ILE B 27 13.042 3.454 -7.845 1.00 0.00 H new ATOM 0 HG21 ILE B 27 16.738 3.338 -7.957 1.00 0.00 H new ATOM 0 HG22 ILE B 27 16.792 4.546 -9.263 1.00 0.00 H new ATOM 0 HG23 ILE B 27 16.018 4.947 -7.711 1.00 0.00 H new ATOM 0 HD11 ILE B 27 13.335 1.150 -7.080 1.00 0.00 H new ATOM 0 HD12 ILE B 27 13.453 1.239 -8.854 1.00 0.00 H new ATOM 0 HD13 ILE B 27 14.928 1.076 -7.871 1.00 0.00 H new ATOM 1787 N SER B 28 15.539 6.394 -10.729 1.00 0.00 N ATOM 1788 CA SER B 28 16.328 6.961 -11.819 1.00 0.00 C ATOM 1789 C SER B 28 17.611 6.165 -12.037 1.00 0.00 C ATOM 1790 O SER B 28 18.227 5.687 -11.082 1.00 0.00 O ATOM 1791 CB SER B 28 16.664 8.427 -11.529 1.00 0.00 C ATOM 1792 OG SER B 28 15.516 9.247 -11.662 1.00 0.00 O ATOM 0 H SER B 28 15.555 6.941 -9.869 1.00 0.00 H new ATOM 0 HA SER B 28 15.731 6.907 -12.729 1.00 0.00 H new ATOM 0 HB2 SER B 28 17.066 8.519 -10.520 1.00 0.00 H new ATOM 0 HB3 SER B 28 17.440 8.768 -12.214 1.00 0.00 H new ATOM 0 HG SER B 28 15.755 10.178 -11.470 1.00 0.00 H new ATOM 1798 N GLN B 29 18.007 6.029 -13.302 1.00 0.00 N ATOM 1799 CA GLN B 29 19.219 5.292 -13.654 1.00 0.00 C ATOM 1800 C GLN B 29 20.470 6.060 -13.231 1.00 0.00 C ATOM 1801 O GLN B 29 20.479 7.293 -13.222 1.00 0.00 O ATOM 1802 CB GLN B 29 19.262 5.007 -15.161 1.00 0.00 C ATOM 1803 CG GLN B 29 19.068 6.241 -16.030 1.00 0.00 C ATOM 1804 CD GLN B 29 19.403 5.985 -17.488 1.00 0.00 C ATOM 1805 OE1 GLN B 29 18.662 5.302 -18.195 1.00 0.00 O ATOM 1806 NE2 GLN B 29 20.525 6.530 -17.948 1.00 0.00 N ATOM 0 H GLN B 29 17.506 6.420 -14.100 1.00 0.00 H new ATOM 0 HA GLN B 29 19.199 4.343 -13.118 1.00 0.00 H new ATOM 0 HB2 GLN B 29 20.220 4.549 -15.407 1.00 0.00 H new ATOM 0 HB3 GLN B 29 18.489 4.278 -15.405 1.00 0.00 H new ATOM 0 HG2 GLN B 29 18.034 6.577 -15.952 1.00 0.00 H new ATOM 0 HG3 GLN B 29 19.695 7.049 -15.653 1.00 0.00 H new ATOM 0 HE21 GLN B 29 21.111 7.090 -17.329 1.00 0.00 H new ATOM 0 HE22 GLN B 29 20.799 6.389 -18.920 1.00 0.00 H new ATOM 1815 N ASP B 30 21.523 5.320 -12.879 1.00 0.00 N ATOM 1816 CA ASP B 30 22.787 5.919 -12.447 1.00 0.00 C ATOM 1817 C ASP B 30 22.591 6.802 -11.208 1.00 0.00 C ATOM 1818 O ASP B 30 23.209 7.862 -11.087 1.00 0.00 O ATOM 1819 CB ASP B 30 23.409 6.735 -13.587 1.00 0.00 C ATOM 1820 CG ASP B 30 24.243 5.881 -14.524 1.00 0.00 C ATOM 1821 OD1 ASP B 30 25.187 5.218 -14.044 1.00 0.00 O ATOM 1822 OD2 ASP B 30 23.953 5.875 -15.739 1.00 0.00 O ATOM 0 H ASP B 30 21.525 4.300 -12.885 1.00 0.00 H new ATOM 0 HA ASP B 30 23.466 5.109 -12.180 1.00 0.00 H new ATOM 0 HB2 ASP B 30 22.617 7.224 -14.154 1.00 0.00 H new ATOM 0 HB3 ASP B 30 24.033 7.524 -13.167 1.00 0.00 H new ATOM 1827 N SER B 31 21.734 6.355 -10.287 1.00 0.00 N ATOM 1828 CA SER B 31 21.465 7.101 -9.059 1.00 0.00 C ATOM 1829 C SER B 31 21.923 6.320 -7.829 1.00 0.00 C ATOM 1830 O SER B 31 22.296 5.150 -7.929 1.00 0.00 O ATOM 1831 CB SER B 31 19.970 7.425 -8.945 1.00 0.00 C ATOM 1832 OG SER B 31 19.757 8.825 -8.840 1.00 0.00 O ATOM 0 H SER B 31 21.216 5.480 -10.370 1.00 0.00 H new ATOM 0 HA SER B 31 22.029 8.033 -9.105 1.00 0.00 H new ATOM 0 HB2 SER B 31 19.443 7.038 -9.817 1.00 0.00 H new ATOM 0 HB3 SER B 31 19.552 6.924 -8.072 1.00 0.00 H new ATOM 0 HG SER B 31 20.223 9.168 -8.050 1.00 0.00 H new ATOM 1838 N LEU B 32 21.890 6.979 -6.671 1.00 0.00 N ATOM 1839 CA LEU B 32 22.299 6.355 -5.412 1.00 0.00 C ATOM 1840 C LEU B 32 21.515 5.068 -5.152 1.00 0.00 C ATOM 1841 O LEU B 32 22.091 4.052 -4.765 1.00 0.00 O ATOM 1842 CB LEU B 32 22.105 7.331 -4.245 1.00 0.00 C ATOM 1843 CG LEU B 32 22.992 8.577 -4.286 1.00 0.00 C ATOM 1844 CD1 LEU B 32 22.446 9.650 -3.356 1.00 0.00 C ATOM 1845 CD2 LEU B 32 24.422 8.220 -3.912 1.00 0.00 C ATOM 0 H LEU B 32 21.583 7.947 -6.578 1.00 0.00 H new ATOM 0 HA LEU B 32 23.356 6.101 -5.493 1.00 0.00 H new ATOM 0 HB2 LEU B 32 21.062 7.647 -4.226 1.00 0.00 H new ATOM 0 HB3 LEU B 32 22.294 6.800 -3.312 1.00 0.00 H new ATOM 0 HG LEU B 32 22.990 8.972 -5.302 1.00 0.00 H new ATOM 0 HD11 LEU B 32 23.089 10.529 -3.398 1.00 0.00 H new ATOM 0 HD12 LEU B 32 21.438 9.923 -3.668 1.00 0.00 H new ATOM 0 HD13 LEU B 32 22.419 9.268 -2.336 1.00 0.00 H new ATOM 0 HD21 LEU B 32 25.041 9.116 -3.946 1.00 0.00 H new ATOM 0 HD22 LEU B 32 24.441 7.803 -2.905 1.00 0.00 H new ATOM 0 HD23 LEU B 32 24.810 7.485 -4.617 1.00 0.00 H new ATOM 1857 N ALA B 33 20.201 5.120 -5.372 1.00 0.00 N ATOM 1858 CA ALA B 33 19.338 3.958 -5.166 1.00 0.00 C ATOM 1859 C ALA B 33 19.771 2.779 -6.036 1.00 0.00 C ATOM 1860 O ALA B 33 19.945 1.665 -5.541 1.00 0.00 O ATOM 1861 CB ALA B 33 17.890 4.320 -5.454 1.00 0.00 C ATOM 0 H ALA B 33 19.711 5.955 -5.693 1.00 0.00 H new ATOM 0 HA ALA B 33 19.429 3.655 -4.123 1.00 0.00 H new ATOM 0 HB1 ALA B 33 17.258 3.446 -5.297 1.00 0.00 H new ATOM 0 HB2 ALA B 33 17.575 5.120 -4.785 1.00 0.00 H new ATOM 0 HB3 ALA B 33 17.797 4.654 -6.487 1.00 0.00 H new ATOM 1867 N ALA B 34 19.947 3.034 -7.334 1.00 0.00 N ATOM 1868 CA ALA B 34 20.365 1.996 -8.274 1.00 0.00 C ATOM 1869 C ALA B 34 21.752 1.460 -7.921 1.00 0.00 C ATOM 1870 O ALA B 34 22.020 0.267 -8.065 1.00 0.00 O ATOM 1871 CB ALA B 34 20.348 2.534 -9.699 1.00 0.00 C ATOM 0 H ALA B 34 19.806 3.951 -7.757 1.00 0.00 H new ATOM 0 HA ALA B 34 19.658 1.170 -8.203 1.00 0.00 H new ATOM 0 HB1 ALA B 34 20.662 1.750 -10.388 1.00 0.00 H new ATOM 0 HB2 ALA B 34 19.339 2.858 -9.953 1.00 0.00 H new ATOM 0 HB3 ALA B 34 21.031 3.380 -9.777 1.00 0.00 H new ATOM 1877 N ARG B 35 22.626 2.349 -7.454 1.00 0.00 N ATOM 1878 CA ARG B 35 23.984 1.972 -7.073 1.00 0.00 C ATOM 1879 C ARG B 35 23.988 1.148 -5.782 1.00 0.00 C ATOM 1880 O ARG B 35 24.761 0.200 -5.646 1.00 0.00 O ATOM 1881 CB ARG B 35 24.846 3.224 -6.897 1.00 0.00 C ATOM 1882 CG ARG B 35 26.279 3.056 -7.377 1.00 0.00 C ATOM 1883 CD ARG B 35 27.009 4.390 -7.438 1.00 0.00 C ATOM 1884 NE ARG B 35 27.918 4.573 -6.307 1.00 0.00 N ATOM 1885 CZ ARG B 35 27.554 5.082 -5.125 1.00 0.00 C ATOM 1886 NH1 ARG B 35 26.298 5.468 -4.912 1.00 0.00 N ATOM 1887 NH2 ARG B 35 28.452 5.205 -4.155 1.00 0.00 N ATOM 0 H ARG B 35 22.416 3.339 -7.330 1.00 0.00 H new ATOM 0 HA ARG B 35 24.401 1.356 -7.870 1.00 0.00 H new ATOM 0 HB2 ARG B 35 24.386 4.050 -7.440 1.00 0.00 H new ATOM 0 HB3 ARG B 35 24.856 3.501 -5.843 1.00 0.00 H new ATOM 0 HG2 ARG B 35 26.811 2.380 -6.708 1.00 0.00 H new ATOM 0 HG3 ARG B 35 26.281 2.594 -8.364 1.00 0.00 H new ATOM 0 HD2 ARG B 35 27.573 4.452 -8.369 1.00 0.00 H new ATOM 0 HD3 ARG B 35 26.281 5.201 -7.452 1.00 0.00 H new ATOM 0 HE ARG B 35 28.892 4.295 -6.427 1.00 0.00 H new ATOM 0 HH11 ARG B 35 25.604 5.377 -5.654 1.00 0.00 H new ATOM 0 HH12 ARG B 35 26.030 5.855 -4.007 1.00 0.00 H new ATOM 0 HH21 ARG B 35 29.416 4.912 -4.312 1.00 0.00 H new ATOM 0 HH22 ARG B 35 28.178 5.593 -3.252 1.00 0.00 H new ATOM 1901 N ASP B 36 23.122 1.519 -4.837 1.00 0.00 N ATOM 1902 CA ASP B 36 23.029 0.816 -3.557 1.00 0.00 C ATOM 1903 C ASP B 36 22.290 -0.516 -3.702 1.00 0.00 C ATOM 1904 O ASP B 36 22.610 -1.486 -3.014 1.00 0.00 O ATOM 1905 CB ASP B 36 22.326 1.693 -2.520 1.00 0.00 C ATOM 1906 CG ASP B 36 23.287 2.621 -1.800 1.00 0.00 C ATOM 1907 OD1 ASP B 36 23.561 3.720 -2.329 1.00 0.00 O ATOM 1908 OD2 ASP B 36 23.768 2.250 -0.711 1.00 0.00 O ATOM 0 H ASP B 36 22.476 2.302 -4.934 1.00 0.00 H new ATOM 0 HA ASP B 36 24.044 0.604 -3.221 1.00 0.00 H new ATOM 0 HB2 ASP B 36 21.554 2.285 -3.012 1.00 0.00 H new ATOM 0 HB3 ASP B 36 21.824 1.057 -1.791 1.00 0.00 H new ATOM 1913 N GLY B 37 21.299 -0.555 -4.594 1.00 0.00 N ATOM 1914 CA GLY B 37 20.533 -1.773 -4.805 1.00 0.00 C ATOM 1915 C GLY B 37 19.637 -2.119 -3.629 1.00 0.00 C ATOM 1916 O GLY B 37 19.567 -3.278 -3.219 1.00 0.00 O ATOM 0 H GLY B 37 21.014 0.235 -5.173 1.00 0.00 H new ATOM 0 HA2 GLY B 37 19.922 -1.661 -5.700 1.00 0.00 H new ATOM 0 HA3 GLY B 37 21.219 -2.600 -4.989 1.00 0.00 H new ATOM 1920 N ASN B 38 18.952 -1.113 -3.083 1.00 0.00 N ATOM 1921 CA ASN B 38 18.055 -1.325 -1.944 1.00 0.00 C ATOM 1922 C ASN B 38 16.611 -0.971 -2.299 1.00 0.00 C ATOM 1923 O ASN B 38 15.685 -1.708 -1.957 1.00 0.00 O ATOM 1924 CB ASN B 38 18.516 -0.499 -0.740 1.00 0.00 C ATOM 1925 CG ASN B 38 19.639 -1.173 0.026 1.00 0.00 C ATOM 1926 OD1 ASN B 38 19.433 -1.691 1.122 1.00 0.00 O ATOM 1927 ND2 ASN B 38 20.835 -1.168 -0.550 1.00 0.00 N ATOM 0 H ASN B 38 19.000 -0.148 -3.409 1.00 0.00 H new ATOM 0 HA ASN B 38 18.091 -2.383 -1.686 1.00 0.00 H new ATOM 0 HB2 ASN B 38 18.849 0.481 -1.081 1.00 0.00 H new ATOM 0 HB3 ASN B 38 17.671 -0.334 -0.071 1.00 0.00 H new ATOM 0 HD21 ASN B 38 21.628 -1.606 -0.082 1.00 0.00 H new ATOM 0 HD22 ASN B 38 20.961 -0.726 -1.461 1.00 0.00 H new ATOM 1934 N ILE B 39 16.425 0.161 -2.982 1.00 0.00 N ATOM 1935 CA ILE B 39 15.091 0.609 -3.379 1.00 0.00 C ATOM 1936 C ILE B 39 14.672 -0.017 -4.709 1.00 0.00 C ATOM 1937 O ILE B 39 15.463 -0.079 -5.651 1.00 0.00 O ATOM 1938 CB ILE B 39 15.024 2.147 -3.508 1.00 0.00 C ATOM 1939 CG1 ILE B 39 15.642 2.819 -2.279 1.00 0.00 C ATOM 1940 CG2 ILE B 39 13.583 2.607 -3.698 1.00 0.00 C ATOM 1941 CD1 ILE B 39 15.793 4.319 -2.416 1.00 0.00 C ATOM 0 H ILE B 39 17.181 0.782 -3.271 1.00 0.00 H new ATOM 0 HA ILE B 39 14.407 0.287 -2.594 1.00 0.00 H new ATOM 0 HB ILE B 39 15.599 2.441 -4.386 1.00 0.00 H new ATOM 0 HG12 ILE B 39 15.023 2.603 -1.408 1.00 0.00 H new ATOM 0 HG13 ILE B 39 16.622 2.380 -2.090 1.00 0.00 H new ATOM 0 HG21 ILE B 39 13.556 3.693 -3.787 1.00 0.00 H new ATOM 0 HG22 ILE B 39 13.174 2.159 -4.604 1.00 0.00 H new ATOM 0 HG23 ILE B 39 12.986 2.299 -2.839 1.00 0.00 H new ATOM 0 HD11 ILE B 39 16.237 4.724 -1.507 1.00 0.00 H new ATOM 0 HD12 ILE B 39 16.437 4.544 -3.266 1.00 0.00 H new ATOM 0 HD13 ILE B 39 14.813 4.770 -2.574 1.00 0.00 H new ATOM 1953 N GLN B 40 13.421 -0.473 -4.777 1.00 0.00 N ATOM 1954 CA GLN B 40 12.891 -1.088 -5.993 1.00 0.00 C ATOM 1955 C GLN B 40 11.562 -0.451 -6.391 1.00 0.00 C ATOM 1956 O GLN B 40 10.884 0.163 -5.565 1.00 0.00 O ATOM 1957 CB GLN B 40 12.705 -2.595 -5.793 1.00 0.00 C ATOM 1958 CG GLN B 40 14.014 -3.363 -5.688 1.00 0.00 C ATOM 1959 CD GLN B 40 13.928 -4.759 -6.276 1.00 0.00 C ATOM 1960 OE1 GLN B 40 12.841 -5.318 -6.430 1.00 0.00 O ATOM 1961 NE2 GLN B 40 15.079 -5.334 -6.607 1.00 0.00 N ATOM 0 H GLN B 40 12.756 -0.428 -4.004 1.00 0.00 H new ATOM 0 HA GLN B 40 13.610 -0.921 -6.795 1.00 0.00 H new ATOM 0 HB2 GLN B 40 12.121 -2.763 -4.888 1.00 0.00 H new ATOM 0 HB3 GLN B 40 12.125 -2.994 -6.625 1.00 0.00 H new ATOM 0 HG2 GLN B 40 14.798 -2.806 -6.200 1.00 0.00 H new ATOM 0 HG3 GLN B 40 14.305 -3.433 -4.640 1.00 0.00 H new ATOM 0 HE21 GLN B 40 15.958 -4.836 -6.463 1.00 0.00 H new ATOM 0 HE22 GLN B 40 15.084 -6.273 -7.005 1.00 0.00 H new ATOM 1970 N GLU B 41 11.195 -0.601 -7.664 1.00 0.00 N ATOM 1971 CA GLU B 41 9.944 -0.039 -8.174 1.00 0.00 C ATOM 1972 C GLU B 41 8.740 -0.694 -7.499 1.00 0.00 C ATOM 1973 O GLU B 41 8.490 -1.888 -7.675 1.00 0.00 O ATOM 1974 CB GLU B 41 9.851 -0.219 -9.693 1.00 0.00 C ATOM 1975 CG GLU B 41 11.025 0.377 -10.454 1.00 0.00 C ATOM 1976 CD GLU B 41 10.946 0.116 -11.946 1.00 0.00 C ATOM 1977 OE1 GLU B 41 9.979 0.586 -12.583 1.00 0.00 O ATOM 1978 OE2 GLU B 41 11.852 -0.559 -12.479 1.00 0.00 O ATOM 0 H GLU B 41 11.745 -1.106 -8.359 1.00 0.00 H new ATOM 0 HA GLU B 41 9.937 1.026 -7.944 1.00 0.00 H new ATOM 0 HB2 GLU B 41 9.785 -1.283 -9.920 1.00 0.00 H new ATOM 0 HB3 GLU B 41 8.929 0.240 -10.048 1.00 0.00 H new ATOM 0 HG2 GLU B 41 11.059 1.452 -10.278 1.00 0.00 H new ATOM 0 HG3 GLU B 41 11.954 -0.039 -10.065 1.00 0.00 H new ATOM 1985 N GLY B 42 8.006 0.097 -6.719 1.00 0.00 N ATOM 1986 CA GLY B 42 6.841 -0.414 -6.019 1.00 0.00 C ATOM 1987 C GLY B 42 7.099 -0.671 -4.538 1.00 0.00 C ATOM 1988 O GLY B 42 6.233 -1.205 -3.842 1.00 0.00 O ATOM 0 H GLY B 42 8.199 1.086 -6.560 1.00 0.00 H new ATOM 0 HA2 GLY B 42 6.022 0.298 -6.121 1.00 0.00 H new ATOM 0 HA3 GLY B 42 6.518 -1.341 -6.492 1.00 0.00 H new ATOM 1992 N ASP B 43 8.284 -0.287 -4.051 1.00 0.00 N ATOM 1993 CA ASP B 43 8.635 -0.481 -2.646 1.00 0.00 C ATOM 1994 C ASP B 43 7.789 0.418 -1.747 1.00 0.00 C ATOM 1995 O ASP B 43 7.714 1.630 -1.960 1.00 0.00 O ATOM 1996 CB ASP B 43 10.125 -0.192 -2.416 1.00 0.00 C ATOM 1997 CG ASP B 43 10.852 -1.336 -1.728 1.00 0.00 C ATOM 1998 OD1 ASP B 43 10.240 -2.008 -0.868 1.00 0.00 O ATOM 1999 OD2 ASP B 43 12.040 -1.555 -2.045 1.00 0.00 O ATOM 0 H ASP B 43 9.012 0.158 -4.610 1.00 0.00 H new ATOM 0 HA ASP B 43 8.433 -1.521 -2.391 1.00 0.00 H new ATOM 0 HB2 ASP B 43 10.602 0.010 -3.375 1.00 0.00 H new ATOM 0 HB3 ASP B 43 10.226 0.710 -1.813 1.00 0.00 H new ATOM 2004 N VAL B 44 7.153 -0.184 -0.743 1.00 0.00 N ATOM 2005 CA VAL B 44 6.309 0.558 0.190 1.00 0.00 C ATOM 2006 C VAL B 44 7.124 1.040 1.389 1.00 0.00 C ATOM 2007 O VAL B 44 7.425 0.264 2.298 1.00 0.00 O ATOM 2008 CB VAL B 44 5.124 -0.301 0.685 1.00 0.00 C ATOM 2009 CG1 VAL B 44 4.177 0.533 1.536 1.00 0.00 C ATOM 2010 CG2 VAL B 44 4.381 -0.928 -0.490 1.00 0.00 C ATOM 0 H VAL B 44 7.207 -1.185 -0.555 1.00 0.00 H new ATOM 0 HA VAL B 44 5.913 1.420 -0.347 1.00 0.00 H new ATOM 0 HB VAL B 44 5.522 -1.106 1.303 1.00 0.00 H new ATOM 0 HG11 VAL B 44 3.349 -0.089 1.875 1.00 0.00 H new ATOM 0 HG12 VAL B 44 4.714 0.925 2.400 1.00 0.00 H new ATOM 0 HG13 VAL B 44 3.789 1.361 0.943 1.00 0.00 H new ATOM 0 HG21 VAL B 44 3.551 -1.528 -0.117 1.00 0.00 H new ATOM 0 HG22 VAL B 44 3.997 -0.141 -1.139 1.00 0.00 H new ATOM 0 HG23 VAL B 44 5.063 -1.563 -1.055 1.00 0.00 H new ATOM 2020 N VAL B 45 7.481 2.324 1.378 1.00 0.00 N ATOM 2021 CA VAL B 45 8.269 2.913 2.459 1.00 0.00 C ATOM 2022 C VAL B 45 7.394 3.267 3.659 1.00 0.00 C ATOM 2023 O VAL B 45 6.338 3.885 3.511 1.00 0.00 O ATOM 2024 CB VAL B 45 9.012 4.186 1.995 1.00 0.00 C ATOM 2025 CG1 VAL B 45 9.948 4.683 3.088 1.00 0.00 C ATOM 2026 CG2 VAL B 45 9.779 3.926 0.705 1.00 0.00 C ATOM 0 H VAL B 45 7.237 2.976 0.632 1.00 0.00 H new ATOM 0 HA VAL B 45 8.999 2.159 2.752 1.00 0.00 H new ATOM 0 HB VAL B 45 8.272 4.961 1.796 1.00 0.00 H new ATOM 0 HG11 VAL B 45 10.464 5.580 2.745 1.00 0.00 H new ATOM 0 HG12 VAL B 45 9.371 4.916 3.983 1.00 0.00 H new ATOM 0 HG13 VAL B 45 10.680 3.910 3.319 1.00 0.00 H new ATOM 0 HG21 VAL B 45 10.294 4.836 0.398 1.00 0.00 H new ATOM 0 HG22 VAL B 45 10.509 3.134 0.869 1.00 0.00 H new ATOM 0 HG23 VAL B 45 9.083 3.621 -0.077 1.00 0.00 H new ATOM 2036 N LEU B 46 7.852 2.877 4.846 1.00 0.00 N ATOM 2037 CA LEU B 46 7.126 3.153 6.080 1.00 0.00 C ATOM 2038 C LEU B 46 7.822 4.250 6.889 1.00 0.00 C ATOM 2039 O LEU B 46 7.164 5.143 7.429 1.00 0.00 O ATOM 2040 CB LEU B 46 7.005 1.874 6.916 1.00 0.00 C ATOM 2041 CG LEU B 46 6.193 2.011 8.208 1.00 0.00 C ATOM 2042 CD1 LEU B 46 5.389 0.746 8.475 1.00 0.00 C ATOM 2043 CD2 LEU B 46 7.109 2.322 9.385 1.00 0.00 C ATOM 0 H LEU B 46 8.726 2.367 4.978 1.00 0.00 H new ATOM 0 HA LEU B 46 6.127 3.504 5.820 1.00 0.00 H new ATOM 0 HB2 LEU B 46 6.549 1.099 6.300 1.00 0.00 H new ATOM 0 HB3 LEU B 46 8.007 1.530 7.171 1.00 0.00 H new ATOM 0 HG LEU B 46 5.495 2.840 8.087 1.00 0.00 H new ATOM 0 HD11 LEU B 46 4.820 0.864 9.397 1.00 0.00 H new ATOM 0 HD12 LEU B 46 4.704 0.568 7.646 1.00 0.00 H new ATOM 0 HD13 LEU B 46 6.067 -0.102 8.574 1.00 0.00 H new ATOM 0 HD21 LEU B 46 6.515 2.416 10.294 1.00 0.00 H new ATOM 0 HD22 LEU B 46 7.832 1.516 9.506 1.00 0.00 H new ATOM 0 HD23 LEU B 46 7.636 3.257 9.198 1.00 0.00 H new ATOM 2055 N LYS B 47 9.154 4.178 6.975 1.00 0.00 N ATOM 2056 CA LYS B 47 9.930 5.167 7.728 1.00 0.00 C ATOM 2057 C LYS B 47 11.060 5.763 6.886 1.00 0.00 C ATOM 2058 O LYS B 47 11.504 5.161 5.908 1.00 0.00 O ATOM 2059 CB LYS B 47 10.509 4.529 8.993 1.00 0.00 C ATOM 2060 CG LYS B 47 9.647 4.731 10.230 1.00 0.00 C ATOM 2061 CD LYS B 47 10.189 3.958 11.422 1.00 0.00 C ATOM 2062 CE LYS B 47 11.347 4.691 12.085 1.00 0.00 C ATOM 2063 NZ LYS B 47 12.669 4.176 11.627 1.00 0.00 N ATOM 0 H LYS B 47 9.715 3.449 6.535 1.00 0.00 H new ATOM 0 HA LYS B 47 9.253 5.976 8.002 1.00 0.00 H new ATOM 0 HB2 LYS B 47 10.640 3.460 8.823 1.00 0.00 H new ATOM 0 HB3 LYS B 47 11.499 4.946 9.179 1.00 0.00 H new ATOM 0 HG2 LYS B 47 9.602 5.792 10.474 1.00 0.00 H new ATOM 0 HG3 LYS B 47 8.627 4.409 10.020 1.00 0.00 H new ATOM 0 HD2 LYS B 47 9.392 3.803 12.149 1.00 0.00 H new ATOM 0 HD3 LYS B 47 10.520 2.972 11.097 1.00 0.00 H new ATOM 0 HE2 LYS B 47 11.276 5.756 11.864 1.00 0.00 H new ATOM 0 HE3 LYS B 47 11.272 4.585 13.167 1.00 0.00 H new ATOM 0 HZ1 LYS B 47 13.379 4.334 12.370 1.00 0.00 H new ATOM 0 HZ2 LYS B 47 12.595 3.158 11.429 1.00 0.00 H new ATOM 0 HZ3 LYS B 47 12.956 4.677 10.762 1.00 0.00 H new ATOM 2077 N ILE B 48 11.519 6.953 7.286 1.00 0.00 N ATOM 2078 CA ILE B 48 12.601 7.649 6.590 1.00 0.00 C ATOM 2079 C ILE B 48 13.562 8.287 7.593 1.00 0.00 C ATOM 2080 O ILE B 48 13.158 9.125 8.401 1.00 0.00 O ATOM 2081 CB ILE B 48 12.058 8.743 5.642 1.00 0.00 C ATOM 2082 CG1 ILE B 48 10.897 8.199 4.799 1.00 0.00 C ATOM 2083 CG2 ILE B 48 13.168 9.272 4.742 1.00 0.00 C ATOM 2084 CD1 ILE B 48 10.231 9.248 3.934 1.00 0.00 C ATOM 0 H ILE B 48 11.153 7.456 8.095 1.00 0.00 H new ATOM 0 HA ILE B 48 13.131 6.905 5.995 1.00 0.00 H new ATOM 0 HB ILE B 48 11.685 9.568 6.250 1.00 0.00 H new ATOM 0 HG12 ILE B 48 11.267 7.396 4.161 1.00 0.00 H new ATOM 0 HG13 ILE B 48 10.152 7.761 5.463 1.00 0.00 H new ATOM 0 HG21 ILE B 48 12.766 10.041 4.082 1.00 0.00 H new ATOM 0 HG22 ILE B 48 13.961 9.699 5.355 1.00 0.00 H new ATOM 0 HG23 ILE B 48 13.572 8.455 4.144 1.00 0.00 H new ATOM 0 HD11 ILE B 48 9.420 8.791 3.367 1.00 0.00 H new ATOM 0 HD12 ILE B 48 9.830 10.040 4.566 1.00 0.00 H new ATOM 0 HD13 ILE B 48 10.963 9.670 3.245 1.00 0.00 H new ATOM 2096 N ASN B 49 14.832 7.870 7.536 1.00 0.00 N ATOM 2097 CA ASN B 49 15.880 8.373 8.438 1.00 0.00 C ATOM 2098 C ASN B 49 15.397 8.449 9.894 1.00 0.00 C ATOM 2099 O ASN B 49 15.802 9.338 10.647 1.00 0.00 O ATOM 2100 CB ASN B 49 16.397 9.746 7.967 1.00 0.00 C ATOM 2101 CG ASN B 49 15.341 10.838 8.017 1.00 0.00 C ATOM 2102 OD1 ASN B 49 14.786 11.182 6.861 1.00 0.00 O flip ATOM 2103 ND2 ASN B 49 15.031 11.373 9.082 1.00 0.00 N flip ATOM 0 H ASN B 49 15.164 7.176 6.866 1.00 0.00 H new ATOM 0 HA ASN B 49 16.703 7.660 8.403 1.00 0.00 H new ATOM 0 HB2 ASN B 49 17.243 10.040 8.588 1.00 0.00 H new ATOM 0 HB3 ASN B 49 16.768 9.656 6.946 1.00 0.00 H new ATOM 0 HD21 ASN B 49 15.481 11.080 9.950 1.00 0.00 H new ATOM 0 HD22 ASN B 49 14.325 12.109 9.097 1.00 0.00 H new ATOM 2110 N GLY B 50 14.535 7.509 10.287 1.00 0.00 N ATOM 2111 CA GLY B 50 14.020 7.490 11.647 1.00 0.00 C ATOM 2112 C GLY B 50 12.757 8.319 11.812 1.00 0.00 C ATOM 2113 O GLY B 50 12.568 8.967 12.842 1.00 0.00 O ATOM 0 H GLY B 50 14.185 6.762 9.687 1.00 0.00 H new ATOM 0 HA2 GLY B 50 13.813 6.460 11.938 1.00 0.00 H new ATOM 0 HA3 GLY B 50 14.786 7.865 12.326 1.00 0.00 H new ATOM 2117 N THR B 51 11.892 8.303 10.798 1.00 0.00 N ATOM 2118 CA THR B 51 10.646 9.066 10.838 1.00 0.00 C ATOM 2119 C THR B 51 9.574 8.400 9.978 1.00 0.00 C ATOM 2120 O THR B 51 9.770 8.200 8.779 1.00 0.00 O ATOM 2121 CB THR B 51 10.886 10.505 10.358 1.00 0.00 C ATOM 2122 OG1 THR B 51 12.208 10.925 10.649 1.00 0.00 O ATOM 2123 CG2 THR B 51 9.946 11.513 10.983 1.00 0.00 C ATOM 0 H THR B 51 12.032 7.770 9.940 1.00 0.00 H new ATOM 0 HA THR B 51 10.295 9.090 11.870 1.00 0.00 H new ATOM 0 HB THR B 51 10.707 10.476 9.283 1.00 0.00 H new ATOM 0 HG1 THR B 51 12.829 10.519 10.008 1.00 0.00 H new ATOM 0 HG21 THR B 51 10.172 12.508 10.599 1.00 0.00 H new ATOM 0 HG22 THR B 51 8.917 11.253 10.735 1.00 0.00 H new ATOM 0 HG23 THR B 51 10.071 11.505 12.066 1.00 0.00 H new ATOM 2131 N VAL B 52 8.442 8.059 10.594 1.00 0.00 N ATOM 2132 CA VAL B 52 7.341 7.417 9.876 1.00 0.00 C ATOM 2133 C VAL B 52 6.661 8.404 8.934 1.00 0.00 C ATOM 2134 O VAL B 52 6.458 9.568 9.286 1.00 0.00 O ATOM 2135 CB VAL B 52 6.283 6.829 10.838 1.00 0.00 C ATOM 2136 CG1 VAL B 52 5.222 6.067 10.056 1.00 0.00 C ATOM 2137 CG2 VAL B 52 6.934 5.927 11.879 1.00 0.00 C ATOM 0 H VAL B 52 8.264 8.216 11.586 1.00 0.00 H new ATOM 0 HA VAL B 52 7.778 6.600 9.303 1.00 0.00 H new ATOM 0 HB VAL B 52 5.802 7.655 11.363 1.00 0.00 H new ATOM 0 HG11 VAL B 52 4.484 5.659 10.747 1.00 0.00 H new ATOM 0 HG12 VAL B 52 4.730 6.743 9.357 1.00 0.00 H new ATOM 0 HG13 VAL B 52 5.692 5.253 9.504 1.00 0.00 H new ATOM 0 HG21 VAL B 52 6.168 5.526 12.543 1.00 0.00 H new ATOM 0 HG22 VAL B 52 7.447 5.105 11.379 1.00 0.00 H new ATOM 0 HG23 VAL B 52 7.653 6.503 12.461 1.00 0.00 H new ATOM 2147 N THR B 53 6.314 7.936 7.739 1.00 0.00 N ATOM 2148 CA THR B 53 5.658 8.782 6.745 1.00 0.00 C ATOM 2149 C THR B 53 4.318 8.195 6.308 1.00 0.00 C ATOM 2150 O THR B 53 4.021 8.130 5.115 1.00 0.00 O ATOM 2151 CB THR B 53 6.567 8.989 5.525 1.00 0.00 C ATOM 2152 OG1 THR B 53 7.475 7.911 5.373 1.00 0.00 O ATOM 2153 CG2 THR B 53 7.377 10.263 5.593 1.00 0.00 C ATOM 0 H THR B 53 6.476 6.976 7.435 1.00 0.00 H new ATOM 0 HA THR B 53 5.467 9.748 7.212 1.00 0.00 H new ATOM 0 HB THR B 53 5.888 9.050 4.674 1.00 0.00 H new ATOM 0 HG1 THR B 53 7.686 7.792 4.423 1.00 0.00 H new ATOM 0 HG21 THR B 53 7.997 10.348 4.701 1.00 0.00 H new ATOM 0 HG22 THR B 53 6.705 11.119 5.650 1.00 0.00 H new ATOM 0 HG23 THR B 53 8.014 10.242 6.477 1.00 0.00 H new ATOM 2161 N GLU B 54 3.498 7.786 7.275 1.00 0.00 N ATOM 2162 CA GLU B 54 2.186 7.230 6.967 1.00 0.00 C ATOM 2163 C GLU B 54 1.092 8.240 7.299 1.00 0.00 C ATOM 2164 O GLU B 54 1.186 8.971 8.287 1.00 0.00 O ATOM 2165 CB GLU B 54 1.945 5.922 7.722 1.00 0.00 C ATOM 2166 CG GLU B 54 1.378 4.814 6.848 1.00 0.00 C ATOM 2167 CD GLU B 54 2.019 3.466 7.118 1.00 0.00 C ATOM 2168 OE1 GLU B 54 3.056 3.163 6.491 1.00 0.00 O ATOM 2169 OE2 GLU B 54 1.478 2.710 7.954 1.00 0.00 O ATOM 0 H GLU B 54 3.718 7.829 8.270 1.00 0.00 H new ATOM 0 HA GLU B 54 2.157 7.012 5.899 1.00 0.00 H new ATOM 0 HB2 GLU B 54 2.885 5.585 8.158 1.00 0.00 H new ATOM 0 HB3 GLU B 54 1.259 6.109 8.548 1.00 0.00 H new ATOM 0 HG2 GLU B 54 0.303 4.740 7.015 1.00 0.00 H new ATOM 0 HG3 GLU B 54 1.521 5.076 5.800 1.00 0.00 H new ATOM 2176 N ASN B 55 0.062 8.276 6.454 1.00 0.00 N ATOM 2177 CA ASN B 55 -1.066 9.193 6.622 1.00 0.00 C ATOM 2178 C ASN B 55 -0.666 10.653 6.363 1.00 0.00 C ATOM 2179 O ASN B 55 -1.474 11.562 6.566 1.00 0.00 O ATOM 2180 CB ASN B 55 -1.679 9.058 8.022 1.00 0.00 C ATOM 2181 CG ASN B 55 -1.797 7.614 8.481 1.00 0.00 C ATOM 2182 OD1 ASN B 55 -1.973 6.703 7.669 1.00 0.00 O ATOM 2183 ND2 ASN B 55 -1.701 7.395 9.787 1.00 0.00 N ATOM 0 H ASN B 55 -0.014 7.672 5.636 1.00 0.00 H new ATOM 0 HA ASN B 55 -1.813 8.914 5.879 1.00 0.00 H new ATOM 0 HB2 ASN B 55 -1.068 9.612 8.735 1.00 0.00 H new ATOM 0 HB3 ASN B 55 -2.668 9.517 8.026 1.00 0.00 H new ATOM 0 HD21 ASN B 55 -1.773 6.445 10.151 1.00 0.00 H new ATOM 0 HD22 ASN B 55 -1.555 8.177 10.426 1.00 0.00 H new ATOM 2190 N MET B 56 0.570 10.880 5.904 1.00 0.00 N ATOM 2191 CA MET B 56 1.042 12.233 5.619 1.00 0.00 C ATOM 2192 C MET B 56 0.722 12.630 4.175 1.00 0.00 C ATOM 2193 O MET B 56 0.018 11.908 3.464 1.00 0.00 O ATOM 2194 CB MET B 56 2.550 12.330 5.871 1.00 0.00 C ATOM 2195 CG MET B 56 2.937 13.460 6.812 1.00 0.00 C ATOM 2196 SD MET B 56 4.658 13.361 7.338 1.00 0.00 S ATOM 2197 CE MET B 56 4.620 11.873 8.335 1.00 0.00 C ATOM 0 H MET B 56 1.256 10.147 5.724 1.00 0.00 H new ATOM 0 HA MET B 56 0.525 12.923 6.286 1.00 0.00 H new ATOM 0 HB2 MET B 56 2.902 11.386 6.286 1.00 0.00 H new ATOM 0 HB3 MET B 56 3.061 12.470 4.919 1.00 0.00 H new ATOM 0 HG2 MET B 56 2.766 14.416 6.316 1.00 0.00 H new ATOM 0 HG3 MET B 56 2.290 13.436 7.689 1.00 0.00 H new ATOM 0 HE1 MET B 56 5.636 11.507 8.482 1.00 0.00 H new ATOM 0 HE2 MET B 56 4.171 12.095 9.303 1.00 0.00 H new ATOM 0 HE3 MET B 56 4.030 11.110 7.827 1.00 0.00 H new ATOM 2207 N SER B 57 1.243 13.780 3.744 1.00 0.00 N ATOM 2208 CA SER B 57 1.014 14.266 2.387 1.00 0.00 C ATOM 2209 C SER B 57 2.224 13.989 1.500 1.00 0.00 C ATOM 2210 O SER B 57 3.360 13.963 1.979 1.00 0.00 O ATOM 2211 CB SER B 57 0.708 15.768 2.403 1.00 0.00 C ATOM 2212 OG SER B 57 1.770 16.502 2.990 1.00 0.00 O ATOM 0 H SER B 57 1.826 14.390 4.317 1.00 0.00 H new ATOM 0 HA SER B 57 0.156 13.734 1.977 1.00 0.00 H new ATOM 0 HB2 SER B 57 0.540 16.118 1.385 1.00 0.00 H new ATOM 0 HB3 SER B 57 -0.213 15.948 2.958 1.00 0.00 H new ATOM 0 HG SER B 57 1.549 17.457 2.986 1.00 0.00 H new ATOM 2218 N LEU B 58 1.977 13.790 0.204 1.00 0.00 N ATOM 2219 CA LEU B 58 3.052 13.523 -0.752 1.00 0.00 C ATOM 2220 C LEU B 58 4.094 14.641 -0.724 1.00 0.00 C ATOM 2221 O LEU B 58 5.274 14.406 -0.983 1.00 0.00 O ATOM 2222 CB LEU B 58 2.490 13.378 -2.168 1.00 0.00 C ATOM 2223 CG LEU B 58 3.467 12.803 -3.198 1.00 0.00 C ATOM 2224 CD1 LEU B 58 3.473 11.284 -3.140 1.00 0.00 C ATOM 2225 CD2 LEU B 58 3.113 13.284 -4.598 1.00 0.00 C ATOM 0 H LEU B 58 1.044 13.809 -0.207 1.00 0.00 H new ATOM 0 HA LEU B 58 3.532 12.588 -0.463 1.00 0.00 H new ATOM 0 HB2 LEU B 58 1.609 12.738 -2.129 1.00 0.00 H new ATOM 0 HB3 LEU B 58 2.157 14.357 -2.512 1.00 0.00 H new ATOM 0 HG LEU B 58 4.469 13.159 -2.956 1.00 0.00 H new ATOM 0 HD11 LEU B 58 4.173 10.894 -3.879 1.00 0.00 H new ATOM 0 HD12 LEU B 58 3.777 10.959 -2.145 1.00 0.00 H new ATOM 0 HD13 LEU B 58 2.473 10.908 -3.354 1.00 0.00 H new ATOM 0 HD21 LEU B 58 3.818 12.865 -5.316 1.00 0.00 H new ATOM 0 HD22 LEU B 58 2.103 12.960 -4.850 1.00 0.00 H new ATOM 0 HD23 LEU B 58 3.164 14.372 -4.632 1.00 0.00 H new ATOM 2237 N THR B 59 3.644 15.857 -0.405 1.00 0.00 N ATOM 2238 CA THR B 59 4.532 17.012 -0.339 1.00 0.00 C ATOM 2239 C THR B 59 5.556 16.850 0.783 1.00 0.00 C ATOM 2240 O THR B 59 6.738 17.143 0.597 1.00 0.00 O ATOM 2241 CB THR B 59 3.727 18.299 -0.122 1.00 0.00 C ATOM 2242 OG1 THR B 59 2.367 18.114 -0.477 1.00 0.00 O ATOM 2243 CG2 THR B 59 4.252 19.474 -0.917 1.00 0.00 C ATOM 0 H THR B 59 2.669 16.064 -0.189 1.00 0.00 H new ATOM 0 HA THR B 59 5.062 17.079 -1.289 1.00 0.00 H new ATOM 0 HB THR B 59 3.828 18.522 0.940 1.00 0.00 H new ATOM 0 HG1 THR B 59 1.874 18.948 -0.328 1.00 0.00 H new ATOM 0 HG21 THR B 59 3.638 20.352 -0.718 1.00 0.00 H new ATOM 0 HG22 THR B 59 5.282 19.679 -0.626 1.00 0.00 H new ATOM 0 HG23 THR B 59 4.215 19.239 -1.981 1.00 0.00 H new ATOM 2251 N ASP B 60 5.097 16.376 1.943 1.00 0.00 N ATOM 2252 CA ASP B 60 5.979 16.170 3.091 1.00 0.00 C ATOM 2253 C ASP B 60 7.103 15.198 2.742 1.00 0.00 C ATOM 2254 O ASP B 60 8.256 15.410 3.118 1.00 0.00 O ATOM 2255 CB ASP B 60 5.188 15.642 4.292 1.00 0.00 C ATOM 2256 CG ASP B 60 5.465 16.424 5.563 1.00 0.00 C ATOM 2257 OD1 ASP B 60 6.652 16.586 5.917 1.00 0.00 O ATOM 2258 OD2 ASP B 60 4.492 16.875 6.204 1.00 0.00 O ATOM 0 H ASP B 60 4.122 16.128 2.111 1.00 0.00 H new ATOM 0 HA ASP B 60 6.418 17.133 3.354 1.00 0.00 H new ATOM 0 HB2 ASP B 60 4.122 15.686 4.068 1.00 0.00 H new ATOM 0 HB3 ASP B 60 5.437 14.593 4.454 1.00 0.00 H new ATOM 2263 N ALA B 61 6.760 14.136 2.008 1.00 0.00 N ATOM 2264 CA ALA B 61 7.745 13.140 1.593 1.00 0.00 C ATOM 2265 C ALA B 61 8.868 13.796 0.793 1.00 0.00 C ATOM 2266 O ALA B 61 10.032 13.414 0.913 1.00 0.00 O ATOM 2267 CB ALA B 61 7.082 12.043 0.774 1.00 0.00 C ATOM 0 H ALA B 61 5.809 13.946 1.691 1.00 0.00 H new ATOM 0 HA ALA B 61 8.176 12.691 2.488 1.00 0.00 H new ATOM 0 HB1 ALA B 61 7.831 11.310 0.474 1.00 0.00 H new ATOM 0 HB2 ALA B 61 6.316 11.553 1.375 1.00 0.00 H new ATOM 0 HB3 ALA B 61 6.624 12.478 -0.114 1.00 0.00 H new ATOM 2273 N LYS B 62 8.504 14.794 -0.014 1.00 0.00 N ATOM 2274 CA LYS B 62 9.471 15.524 -0.829 1.00 0.00 C ATOM 2275 C LYS B 62 10.411 16.345 0.056 1.00 0.00 C ATOM 2276 O LYS B 62 11.593 16.499 -0.254 1.00 0.00 O ATOM 2277 CB LYS B 62 8.743 16.442 -1.817 1.00 0.00 C ATOM 2278 CG LYS B 62 7.699 15.727 -2.663 1.00 0.00 C ATOM 2279 CD LYS B 62 7.476 16.429 -3.994 1.00 0.00 C ATOM 2280 CE LYS B 62 7.803 15.517 -5.166 1.00 0.00 C ATOM 2281 NZ LYS B 62 7.680 16.223 -6.470 1.00 0.00 N ATOM 0 H LYS B 62 7.542 15.115 -0.119 1.00 0.00 H new ATOM 0 HA LYS B 62 10.065 14.801 -1.388 1.00 0.00 H new ATOM 0 HB2 LYS B 62 8.259 17.246 -1.263 1.00 0.00 H new ATOM 0 HB3 LYS B 62 9.477 16.905 -2.477 1.00 0.00 H new ATOM 0 HG2 LYS B 62 8.017 14.700 -2.842 1.00 0.00 H new ATOM 0 HG3 LYS B 62 6.758 15.678 -2.115 1.00 0.00 H new ATOM 0 HD2 LYS B 62 6.439 16.756 -4.065 1.00 0.00 H new ATOM 0 HD3 LYS B 62 8.097 17.324 -4.043 1.00 0.00 H new ATOM 0 HE2 LYS B 62 8.817 15.133 -5.055 1.00 0.00 H new ATOM 0 HE3 LYS B 62 7.134 14.657 -5.154 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 7.911 15.567 -7.243 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 6.706 16.567 -6.588 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 8.337 17.029 -6.492 1.00 0.00 H new ATOM 2295 N THR B 63 9.873 16.865 1.160 1.00 0.00 N ATOM 2296 CA THR B 63 10.655 17.667 2.099 1.00 0.00 C ATOM 2297 C THR B 63 11.646 16.800 2.876 1.00 0.00 C ATOM 2298 O THR B 63 12.789 17.203 3.098 1.00 0.00 O ATOM 2299 CB THR B 63 9.732 18.391 3.082 1.00 0.00 C ATOM 2300 OG1 THR B 63 8.396 18.436 2.601 1.00 0.00 O ATOM 2301 CG2 THR B 63 10.160 19.814 3.372 1.00 0.00 C ATOM 0 H THR B 63 8.896 16.744 1.425 1.00 0.00 H new ATOM 0 HA THR B 63 11.214 18.401 1.519 1.00 0.00 H new ATOM 0 HB THR B 63 9.796 17.810 4.002 1.00 0.00 H new ATOM 0 HG1 THR B 63 7.830 18.903 3.251 1.00 0.00 H new ATOM 0 HG21 THR B 63 9.462 20.268 4.076 1.00 0.00 H new ATOM 0 HG22 THR B 63 11.161 19.812 3.804 1.00 0.00 H new ATOM 0 HG23 THR B 63 10.166 20.388 2.446 1.00 0.00 H new ATOM 2309 N LEU B 64 11.201 15.613 3.293 1.00 0.00 N ATOM 2310 CA LEU B 64 12.054 14.695 4.047 1.00 0.00 C ATOM 2311 C LEU B 64 13.343 14.403 3.286 1.00 0.00 C ATOM 2312 O LEU B 64 14.421 14.330 3.879 1.00 0.00 O ATOM 2313 CB LEU B 64 11.311 13.390 4.339 1.00 0.00 C ATOM 2314 CG LEU B 64 10.554 13.367 5.669 1.00 0.00 C ATOM 2315 CD1 LEU B 64 9.199 12.699 5.498 1.00 0.00 C ATOM 2316 CD2 LEU B 64 11.376 12.660 6.739 1.00 0.00 C ATOM 0 H LEU B 64 10.257 15.266 3.121 1.00 0.00 H new ATOM 0 HA LEU B 64 12.311 15.173 4.992 1.00 0.00 H new ATOM 0 HB2 LEU B 64 10.604 13.202 3.531 1.00 0.00 H new ATOM 0 HB3 LEU B 64 12.029 12.570 4.331 1.00 0.00 H new ATOM 0 HG LEU B 64 10.389 14.395 5.992 1.00 0.00 H new ATOM 0 HD11 LEU B 64 8.674 12.691 6.453 1.00 0.00 H new ATOM 0 HD12 LEU B 64 8.611 13.252 4.765 1.00 0.00 H new ATOM 0 HD13 LEU B 64 9.339 11.675 5.153 1.00 0.00 H new ATOM 0 HD21 LEU B 64 10.822 12.653 7.678 1.00 0.00 H new ATOM 0 HD22 LEU B 64 11.574 11.635 6.427 1.00 0.00 H new ATOM 0 HD23 LEU B 64 12.321 13.186 6.879 1.00 0.00 H new ATOM 2328 N ILE B 65 13.227 14.252 1.968 1.00 0.00 N ATOM 2329 CA ILE B 65 14.384 13.986 1.123 1.00 0.00 C ATOM 2330 C ILE B 65 15.300 15.209 1.060 1.00 0.00 C ATOM 2331 O ILE B 65 16.520 15.074 0.941 1.00 0.00 O ATOM 2332 CB ILE B 65 13.966 13.583 -0.310 1.00 0.00 C ATOM 2333 CG1 ILE B 65 12.924 12.458 -0.271 1.00 0.00 C ATOM 2334 CG2 ILE B 65 15.184 13.154 -1.118 1.00 0.00 C ATOM 2335 CD1 ILE B 65 12.283 12.172 -1.612 1.00 0.00 C ATOM 0 H ILE B 65 12.342 14.310 1.464 1.00 0.00 H new ATOM 0 HA ILE B 65 14.922 13.151 1.572 1.00 0.00 H new ATOM 0 HB ILE B 65 13.517 14.450 -0.795 1.00 0.00 H new ATOM 0 HG12 ILE B 65 13.399 11.548 0.096 1.00 0.00 H new ATOM 0 HG13 ILE B 65 12.145 12.721 0.445 1.00 0.00 H new ATOM 0 HG21 ILE B 65 14.873 12.873 -2.124 1.00 0.00 H new ATOM 0 HG22 ILE B 65 15.893 13.980 -1.174 1.00 0.00 H new ATOM 0 HG23 ILE B 65 15.659 12.301 -0.634 1.00 0.00 H new ATOM 0 HD11 ILE B 65 11.558 11.365 -1.504 1.00 0.00 H new ATOM 0 HD12 ILE B 65 11.778 13.068 -1.972 1.00 0.00 H new ATOM 0 HD13 ILE B 65 13.051 11.876 -2.327 1.00 0.00 H new ATOM 2347 N GLU B 66 14.709 16.403 1.155 1.00 0.00 N ATOM 2348 CA GLU B 66 15.481 17.642 1.121 1.00 0.00 C ATOM 2349 C GLU B 66 16.312 17.800 2.393 1.00 0.00 C ATOM 2350 O GLU B 66 17.470 18.217 2.341 1.00 0.00 O ATOM 2351 CB GLU B 66 14.553 18.847 0.957 1.00 0.00 C ATOM 2352 CG GLU B 66 14.255 19.198 -0.492 1.00 0.00 C ATOM 2353 CD GLU B 66 13.550 20.532 -0.633 1.00 0.00 C ATOM 2354 OE1 GLU B 66 14.192 21.574 -0.378 1.00 0.00 O ATOM 2355 OE2 GLU B 66 12.355 20.537 -0.993 1.00 0.00 O ATOM 0 H GLU B 66 13.703 16.535 1.256 1.00 0.00 H new ATOM 0 HA GLU B 66 16.156 17.593 0.266 1.00 0.00 H new ATOM 0 HB2 GLU B 66 13.614 18.644 1.473 1.00 0.00 H new ATOM 0 HB3 GLU B 66 15.004 19.711 1.445 1.00 0.00 H new ATOM 0 HG2 GLU B 66 15.188 19.222 -1.056 1.00 0.00 H new ATOM 0 HG3 GLU B 66 13.637 18.416 -0.932 1.00 0.00 H new ATOM 2362 N ARG B 67 15.713 17.460 3.535 1.00 0.00 N ATOM 2363 CA ARG B 67 16.399 17.562 4.822 1.00 0.00 C ATOM 2364 C ARG B 67 17.432 16.446 5.000 1.00 0.00 C ATOM 2365 O ARG B 67 18.399 16.606 5.746 1.00 0.00 O ATOM 2366 CB ARG B 67 15.389 17.526 5.972 1.00 0.00 C ATOM 2367 CG ARG B 67 15.771 18.426 7.138 1.00 0.00 C ATOM 2368 CD ARG B 67 15.649 19.899 6.773 1.00 0.00 C ATOM 2369 NE ARG B 67 14.265 20.285 6.489 1.00 0.00 N ATOM 2370 CZ ARG B 67 13.922 21.367 5.785 1.00 0.00 C ATOM 2371 NH1 ARG B 67 14.856 22.185 5.304 1.00 0.00 N ATOM 2372 NH2 ARG B 67 12.640 21.635 5.565 1.00 0.00 N ATOM 0 H ARG B 67 14.756 17.112 3.594 1.00 0.00 H new ATOM 0 HA ARG B 67 16.926 18.516 4.837 1.00 0.00 H new ATOM 0 HB2 ARG B 67 14.411 17.826 5.596 1.00 0.00 H new ATOM 0 HB3 ARG B 67 15.293 16.501 6.330 1.00 0.00 H new ATOM 0 HG2 ARG B 67 15.130 18.208 7.992 1.00 0.00 H new ATOM 0 HG3 ARG B 67 16.794 18.210 7.445 1.00 0.00 H new ATOM 0 HD2 ARG B 67 16.034 20.508 7.591 1.00 0.00 H new ATOM 0 HD3 ARG B 67 16.269 20.108 5.901 1.00 0.00 H new ATOM 0 HE ARG B 67 13.518 19.692 6.851 1.00 0.00 H new ATOM 0 HH11 ARG B 67 15.842 21.988 5.472 1.00 0.00 H new ATOM 0 HH12 ARG B 67 14.585 23.009 4.767 1.00 0.00 H new ATOM 0 HH21 ARG B 67 11.919 21.015 5.934 1.00 0.00 H new ATOM 0 HH22 ARG B 67 12.377 22.461 5.028 1.00 0.00 H new ATOM 2386 N SER B 68 17.226 15.320 4.311 1.00 0.00 N ATOM 2387 CA SER B 68 18.148 14.189 4.394 1.00 0.00 C ATOM 2388 C SER B 68 19.436 14.489 3.626 1.00 0.00 C ATOM 2389 O SER B 68 19.670 13.948 2.543 1.00 0.00 O ATOM 2390 CB SER B 68 17.492 12.919 3.843 1.00 0.00 C ATOM 2391 OG SER B 68 16.866 12.180 4.877 1.00 0.00 O ATOM 0 H SER B 68 16.430 15.170 3.691 1.00 0.00 H new ATOM 0 HA SER B 68 18.396 14.028 5.443 1.00 0.00 H new ATOM 0 HB2 SER B 68 16.756 13.186 3.085 1.00 0.00 H new ATOM 0 HB3 SER B 68 18.244 12.300 3.353 1.00 0.00 H new ATOM 0 HG SER B 68 16.012 11.824 4.554 1.00 0.00 H new ATOM 2397 N LYS B 69 20.265 15.362 4.196 1.00 0.00 N ATOM 2398 CA LYS B 69 21.527 15.745 3.571 1.00 0.00 C ATOM 2399 C LYS B 69 22.643 14.774 3.959 1.00 0.00 C ATOM 2400 O LYS B 69 23.407 15.025 4.892 1.00 0.00 O ATOM 2401 CB LYS B 69 21.901 17.185 3.950 1.00 0.00 C ATOM 2402 CG LYS B 69 22.044 17.421 5.449 1.00 0.00 C ATOM 2403 CD LYS B 69 21.757 18.869 5.820 1.00 0.00 C ATOM 2404 CE LYS B 69 20.303 19.238 5.565 1.00 0.00 C ATOM 2405 NZ LYS B 69 19.605 19.653 6.813 1.00 0.00 N ATOM 0 H LYS B 69 20.084 15.817 5.091 1.00 0.00 H new ATOM 0 HA LYS B 69 21.401 15.698 2.489 1.00 0.00 H new ATOM 0 HB2 LYS B 69 22.840 17.445 3.462 1.00 0.00 H new ATOM 0 HB3 LYS B 69 21.141 17.861 3.558 1.00 0.00 H new ATOM 0 HG2 LYS B 69 21.360 16.765 5.988 1.00 0.00 H new ATOM 0 HG3 LYS B 69 23.054 17.158 5.764 1.00 0.00 H new ATOM 0 HD2 LYS B 69 21.994 19.029 6.872 1.00 0.00 H new ATOM 0 HD3 LYS B 69 22.406 19.528 5.243 1.00 0.00 H new ATOM 0 HE2 LYS B 69 20.257 20.048 4.837 1.00 0.00 H new ATOM 0 HE3 LYS B 69 19.784 18.386 5.126 1.00 0.00 H new ATOM 0 HZ1 LYS B 69 18.618 19.896 6.594 1.00 0.00 H new ATOM 0 HZ2 LYS B 69 19.626 18.871 7.499 1.00 0.00 H new ATOM 0 HZ3 LYS B 69 20.083 20.482 7.219 1.00 0.00 H new ATOM 2419 N GLY B 70 22.727 13.659 3.233 1.00 0.00 N ATOM 2420 CA GLY B 70 23.746 12.661 3.511 1.00 0.00 C ATOM 2421 C GLY B 70 23.222 11.243 3.381 1.00 0.00 C ATOM 2422 O GLY B 70 22.656 10.880 2.353 1.00 0.00 O ATOM 0 H GLY B 70 22.106 13.430 2.457 1.00 0.00 H new ATOM 0 HA2 GLY B 70 24.582 12.800 2.826 1.00 0.00 H new ATOM 0 HA3 GLY B 70 24.132 12.811 4.519 1.00 0.00 H new ATOM 2426 N LYS B 71 23.412 10.436 4.423 1.00 0.00 N ATOM 2427 CA LYS B 71 22.951 9.050 4.406 1.00 0.00 C ATOM 2428 C LYS B 71 21.453 8.963 4.701 1.00 0.00 C ATOM 2429 O LYS B 71 20.964 9.560 5.662 1.00 0.00 O ATOM 2430 CB LYS B 71 23.738 8.204 5.415 1.00 0.00 C ATOM 2431 CG LYS B 71 23.554 8.636 6.864 1.00 0.00 C ATOM 2432 CD LYS B 71 24.858 8.555 7.640 1.00 0.00 C ATOM 2433 CE LYS B 71 24.929 9.618 8.726 1.00 0.00 C ATOM 2434 NZ LYS B 71 26.159 9.486 9.556 1.00 0.00 N ATOM 0 H LYS B 71 23.879 10.716 5.285 1.00 0.00 H new ATOM 0 HA LYS B 71 23.126 8.655 3.405 1.00 0.00 H new ATOM 0 HB2 LYS B 71 23.433 7.162 5.316 1.00 0.00 H new ATOM 0 HB3 LYS B 71 24.798 8.251 5.165 1.00 0.00 H new ATOM 0 HG2 LYS B 71 23.174 9.657 6.895 1.00 0.00 H new ATOM 0 HG3 LYS B 71 22.806 8.003 7.341 1.00 0.00 H new ATOM 0 HD2 LYS B 71 24.954 7.567 8.090 1.00 0.00 H new ATOM 0 HD3 LYS B 71 25.698 8.676 6.956 1.00 0.00 H new ATOM 0 HE2 LYS B 71 24.905 10.607 8.268 1.00 0.00 H new ATOM 0 HE3 LYS B 71 24.050 9.542 9.366 1.00 0.00 H new ATOM 0 HZ1 LYS B 71 26.168 10.229 10.284 1.00 0.00 H new ATOM 0 HZ2 LYS B 71 26.170 8.552 10.014 1.00 0.00 H new ATOM 0 HZ3 LYS B 71 26.999 9.584 8.950 1.00 0.00 H new ATOM 2448 N LEU B 72 20.733 8.212 3.867 1.00 0.00 N ATOM 2449 CA LEU B 72 19.293 8.037 4.035 1.00 0.00 C ATOM 2450 C LEU B 72 18.963 6.590 4.389 1.00 0.00 C ATOM 2451 O LEU B 72 19.245 5.675 3.613 1.00 0.00 O ATOM 2452 CB LEU B 72 18.552 8.446 2.756 1.00 0.00 C ATOM 2453 CG LEU B 72 17.446 9.490 2.945 1.00 0.00 C ATOM 2454 CD1 LEU B 72 16.878 9.914 1.598 1.00 0.00 C ATOM 2455 CD2 LEU B 72 16.340 8.948 3.840 1.00 0.00 C ATOM 0 H LEU B 72 21.126 7.715 3.068 1.00 0.00 H new ATOM 0 HA LEU B 72 18.966 8.678 4.853 1.00 0.00 H new ATOM 0 HB2 LEU B 72 19.279 8.836 2.044 1.00 0.00 H new ATOM 0 HB3 LEU B 72 18.114 7.554 2.308 1.00 0.00 H new ATOM 0 HG LEU B 72 17.881 10.364 3.429 1.00 0.00 H new ATOM 0 HD11 LEU B 72 16.094 10.656 1.751 1.00 0.00 H new ATOM 0 HD12 LEU B 72 17.672 10.346 0.988 1.00 0.00 H new ATOM 0 HD13 LEU B 72 16.461 9.045 1.089 1.00 0.00 H new ATOM 0 HD21 LEU B 72 15.566 9.705 3.961 1.00 0.00 H new ATOM 0 HD22 LEU B 72 15.908 8.057 3.385 1.00 0.00 H new ATOM 0 HD23 LEU B 72 16.754 8.693 4.816 1.00 0.00 H new ATOM 2467 N LYS B 73 18.365 6.386 5.563 1.00 0.00 N ATOM 2468 CA LYS B 73 18.000 5.047 6.012 1.00 0.00 C ATOM 2469 C LYS B 73 16.487 4.930 6.182 1.00 0.00 C ATOM 2470 O LYS B 73 15.914 5.454 7.138 1.00 0.00 O ATOM 2471 CB LYS B 73 18.714 4.720 7.329 1.00 0.00 C ATOM 2472 CG LYS B 73 18.372 3.348 7.891 1.00 0.00 C ATOM 2473 CD LYS B 73 19.572 2.704 8.572 1.00 0.00 C ATOM 2474 CE LYS B 73 19.991 3.471 9.821 1.00 0.00 C ATOM 2475 NZ LYS B 73 19.059 3.240 10.961 1.00 0.00 N ATOM 0 H LYS B 73 18.125 7.131 6.217 1.00 0.00 H new ATOM 0 HA LYS B 73 18.314 4.329 5.255 1.00 0.00 H new ATOM 0 HB2 LYS B 73 19.791 4.779 7.172 1.00 0.00 H new ATOM 0 HB3 LYS B 73 18.458 5.479 8.068 1.00 0.00 H new ATOM 0 HG2 LYS B 73 17.554 3.441 8.606 1.00 0.00 H new ATOM 0 HG3 LYS B 73 18.020 2.702 7.086 1.00 0.00 H new ATOM 0 HD2 LYS B 73 19.329 1.676 8.841 1.00 0.00 H new ATOM 0 HD3 LYS B 73 20.408 2.662 7.873 1.00 0.00 H new ATOM 0 HE2 LYS B 73 20.998 3.170 10.110 1.00 0.00 H new ATOM 0 HE3 LYS B 73 20.030 4.537 9.595 1.00 0.00 H new ATOM 0 HZ1 LYS B 73 19.382 3.781 11.789 1.00 0.00 H new ATOM 0 HZ2 LYS B 73 18.103 3.551 10.696 1.00 0.00 H new ATOM 0 HZ3 LYS B 73 19.041 2.227 11.195 1.00 0.00 H new ATOM 2489 N MET B 74 15.849 4.230 5.244 1.00 0.00 N ATOM 2490 CA MET B 74 14.401 4.035 5.275 1.00 0.00 C ATOM 2491 C MET B 74 14.056 2.561 5.476 1.00 0.00 C ATOM 2492 O MET B 74 14.852 1.678 5.155 1.00 0.00 O ATOM 2493 CB MET B 74 13.763 4.540 3.976 1.00 0.00 C ATOM 2494 CG MET B 74 14.249 5.916 3.543 1.00 0.00 C ATOM 2495 SD MET B 74 15.363 5.845 2.126 1.00 0.00 S ATOM 2496 CE MET B 74 14.279 5.165 0.873 1.00 0.00 C ATOM 0 H MET B 74 16.314 3.788 4.451 1.00 0.00 H new ATOM 0 HA MET B 74 14.004 4.607 6.114 1.00 0.00 H new ATOM 0 HB2 MET B 74 13.970 3.825 3.179 1.00 0.00 H new ATOM 0 HB3 MET B 74 12.681 4.571 4.103 1.00 0.00 H new ATOM 0 HG2 MET B 74 13.390 6.539 3.294 1.00 0.00 H new ATOM 0 HG3 MET B 74 14.759 6.396 4.378 1.00 0.00 H new ATOM 0 HE1 MET B 74 14.559 5.560 -0.104 1.00 0.00 H new ATOM 0 HE2 MET B 74 14.369 4.079 0.865 1.00 0.00 H new ATOM 0 HE3 MET B 74 13.248 5.442 1.094 1.00 0.00 H new ATOM 2506 N VAL B 75 12.861 2.304 6.003 1.00 0.00 N ATOM 2507 CA VAL B 75 12.403 0.937 6.239 1.00 0.00 C ATOM 2508 C VAL B 75 11.170 0.622 5.395 1.00 0.00 C ATOM 2509 O VAL B 75 10.119 1.245 5.558 1.00 0.00 O ATOM 2510 CB VAL B 75 12.069 0.694 7.728 1.00 0.00 C ATOM 2511 CG1 VAL B 75 11.815 -0.784 7.987 1.00 0.00 C ATOM 2512 CG2 VAL B 75 13.186 1.214 8.624 1.00 0.00 C ATOM 0 H VAL B 75 12.192 3.025 6.275 1.00 0.00 H new ATOM 0 HA VAL B 75 13.222 0.277 5.952 1.00 0.00 H new ATOM 0 HB VAL B 75 11.159 1.244 7.967 1.00 0.00 H new ATOM 0 HG11 VAL B 75 11.582 -0.934 9.041 1.00 0.00 H new ATOM 0 HG12 VAL B 75 10.976 -1.121 7.378 1.00 0.00 H new ATOM 0 HG13 VAL B 75 12.705 -1.357 7.727 1.00 0.00 H new ATOM 0 HG21 VAL B 75 12.930 1.032 9.668 1.00 0.00 H new ATOM 0 HG22 VAL B 75 14.115 0.698 8.384 1.00 0.00 H new ATOM 0 HG23 VAL B 75 13.313 2.284 8.463 1.00 0.00 H new ATOM 2522 N VAL B 76 11.310 -0.347 4.490 1.00 0.00 N ATOM 2523 CA VAL B 76 10.210 -0.749 3.613 1.00 0.00 C ATOM 2524 C VAL B 76 9.556 -2.043 4.096 1.00 0.00 C ATOM 2525 O VAL B 76 10.208 -2.889 4.712 1.00 0.00 O ATOM 2526 CB VAL B 76 10.683 -0.943 2.155 1.00 0.00 C ATOM 2527 CG1 VAL B 76 10.947 0.400 1.489 1.00 0.00 C ATOM 2528 CG2 VAL B 76 11.921 -1.829 2.098 1.00 0.00 C ATOM 0 H VAL B 76 12.175 -0.868 4.345 1.00 0.00 H new ATOM 0 HA VAL B 76 9.480 0.060 3.646 1.00 0.00 H new ATOM 0 HB VAL B 76 9.886 -1.443 1.605 1.00 0.00 H new ATOM 0 HG11 VAL B 76 11.279 0.239 0.463 1.00 0.00 H new ATOM 0 HG12 VAL B 76 10.031 0.991 1.485 1.00 0.00 H new ATOM 0 HG13 VAL B 76 11.721 0.934 2.041 1.00 0.00 H new ATOM 0 HG21 VAL B 76 12.234 -1.950 1.061 1.00 0.00 H new ATOM 0 HG22 VAL B 76 12.726 -1.366 2.669 1.00 0.00 H new ATOM 0 HG23 VAL B 76 11.690 -2.805 2.524 1.00 0.00 H new ATOM 2538 N GLN B 77 8.263 -2.192 3.804 1.00 0.00 N ATOM 2539 CA GLN B 77 7.516 -3.379 4.201 1.00 0.00 C ATOM 2540 C GLN B 77 7.343 -4.330 3.018 1.00 0.00 C ATOM 2541 O GLN B 77 6.716 -3.983 2.015 1.00 0.00 O ATOM 2542 CB GLN B 77 6.148 -2.976 4.766 1.00 0.00 C ATOM 2543 CG GLN B 77 5.338 -4.143 5.309 1.00 0.00 C ATOM 2544 CD GLN B 77 4.427 -4.746 4.259 1.00 0.00 C ATOM 2545 OE1 GLN B 77 3.419 -4.149 3.881 1.00 0.00 O ATOM 2546 NE2 GLN B 77 4.777 -5.933 3.779 1.00 0.00 N ATOM 0 H GLN B 77 7.713 -1.502 3.293 1.00 0.00 H new ATOM 0 HA GLN B 77 8.079 -3.899 4.976 1.00 0.00 H new ATOM 0 HB2 GLN B 77 6.295 -2.247 5.563 1.00 0.00 H new ATOM 0 HB3 GLN B 77 5.574 -2.481 3.983 1.00 0.00 H new ATOM 0 HG2 GLN B 77 6.016 -4.910 5.683 1.00 0.00 H new ATOM 0 HG3 GLN B 77 4.740 -3.805 6.155 1.00 0.00 H new ATOM 0 HE21 GLN B 77 5.621 -6.393 4.121 1.00 0.00 H new ATOM 0 HE22 GLN B 77 4.202 -6.386 3.068 1.00 0.00 H new