USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 751 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 89 ASN : amide:sc= -0.844 K(o=-1.6,f=-7.6!) USER MOD Set 1.2: A 108 HIS :FLIP no HD1:sc= -0.71 F(o=-4.1!,f=-1.6) USER MOD Set 2.1: A 69 CYS SG : rot -120:sc= 0.512 USER MOD Set 2.2: A 70 THR OG1 : rot -26:sc= -0.864 USER MOD Set 3.1: A 32 GLN : amide:sc= -0.333 X(o=-0.4,f=-0.29) USER MOD Set 3.2: A 117 SER OG : rot 180:sc= -0.062 USER MOD Single : A 38 ASN : amide:sc= 0.112 K(o=0.11,f=-1.1) USER MOD Single : A 41 GLN : amide:sc= -2.41! C(o=-2.4!,f=-7.6!) USER MOD Single : A 42 TYR OH : rot 114:sc= 0.419 USER MOD Single : A 43 ASN : amide:sc= 0.689 K(o=0.69,f=-3!) USER MOD Single : A 50 THR OG1 : rot 167:sc= 0.993 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.286 X(o=-0.29,f=-0.15) USER MOD Single : A 60 LYS NZ :NH3+ 166:sc= 0.803 (180deg=0.631) USER MOD Single : A 61 ASN : amide:sc= 0.462 K(o=0.46,f=-0.52) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot -14:sc= 0.89 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -176:sc= 1.27 (180deg=1.15) USER MOD Single : A 80 LYS NZ :NH3+ -127:sc= 1.24 (180deg=-0.314) USER MOD Single : A 85 SER OG : rot 108:sc= 1.26 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.192 USER MOD Single : A 91 MET CE :methyl -164:sc= -1.04 (180deg=-1.34) USER MOD Single : A 94 TYR OH : rot -67:sc=0.000562 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0377 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN :FLIP amide:sc= 0 F(o=-0.82!,f=0) USER MOD Single : A 100 MET CE :methyl 161:sc= -0.19 (180deg=-0.78) USER MOD Single : A 101 THR OG1 : rot 57:sc= 0.11 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0.0996 USER MOD Single : A 104 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0219) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 MET CE :methyl -168:sc= -0.489 (180deg=-0.725) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ -148:sc= 1.26 (180deg=1.17) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 118 TYR OH : rot 180:sc= -0.401 USER MOD Single : A 123 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0143) USER MOD ----------------------------------------------------------------- ATOM 30 N PHE A 28 -6.086 -3.551 11.689 1.00 1.27 N ATOM 31 CA PHE A 28 -5.341 -2.570 10.901 1.00 1.21 C ATOM 32 C PHE A 28 -5.095 -3.126 9.505 1.00 0.94 C ATOM 33 O PHE A 28 -5.352 -4.309 9.248 1.00 0.94 O ATOM 34 CB PHE A 28 -3.999 -2.188 11.560 1.00 1.52 C ATOM 35 CG PHE A 28 -2.992 -3.309 11.653 1.00 1.96 C ATOM 36 CD1 PHE A 28 -1.949 -3.400 10.744 1.00 2.75 C ATOM 37 CD2 PHE A 28 -3.085 -4.264 12.655 1.00 2.12 C ATOM 38 CE1 PHE A 28 -1.022 -4.421 10.833 1.00 3.75 C ATOM 39 CE2 PHE A 28 -2.161 -5.287 12.746 1.00 2.99 C ATOM 40 CZ PHE A 28 -1.129 -5.365 11.834 1.00 3.85 C ATOM 0 HA PHE A 28 -5.942 -1.662 10.844 1.00 1.21 H new ATOM 0 HB2 PHE A 28 -3.555 -1.367 10.997 1.00 1.52 H new ATOM 0 HB3 PHE A 28 -4.198 -1.814 12.564 1.00 1.52 H new ATOM 0 HD1 PHE A 28 -1.860 -2.665 9.958 1.00 2.75 H new ATOM 0 HD2 PHE A 28 -3.890 -4.207 13.373 1.00 2.12 H new ATOM 0 HE1 PHE A 28 -0.214 -4.480 10.119 1.00 3.75 H new ATOM 0 HE2 PHE A 28 -2.247 -6.025 13.530 1.00 2.99 H new ATOM 0 HZ PHE A 28 -0.406 -6.164 11.903 1.00 3.85 H new ATOM 50 N GLY A 29 -4.596 -2.287 8.613 1.00 0.85 N ATOM 51 CA GLY A 29 -4.320 -2.723 7.261 1.00 0.73 C ATOM 52 C GLY A 29 -2.842 -2.934 7.029 1.00 0.63 C ATOM 53 O GLY A 29 -2.060 -1.992 7.089 1.00 0.69 O ATOM 0 H GLY A 29 -4.376 -1.309 8.801 1.00 0.85 H new ATOM 0 HA2 GLY A 29 -4.855 -3.652 7.062 1.00 0.73 H new ATOM 0 HA3 GLY A 29 -4.696 -1.981 6.556 1.00 0.73 H new ATOM 57 N ALA A 30 -2.457 -4.174 6.770 1.00 0.66 N ATOM 58 CA ALA A 30 -1.057 -4.510 6.568 1.00 0.59 C ATOM 59 C ALA A 30 -0.845 -5.096 5.186 1.00 0.56 C ATOM 60 O ALA A 30 -1.360 -6.164 4.874 1.00 0.65 O ATOM 61 CB ALA A 30 -0.589 -5.491 7.630 1.00 0.71 C ATOM 0 H ALA A 30 -3.096 -4.965 6.695 1.00 0.66 H new ATOM 0 HA ALA A 30 -0.469 -3.596 6.652 1.00 0.59 H new ATOM 0 HB1 ALA A 30 0.461 -5.733 7.465 1.00 0.71 H new ATOM 0 HB2 ALA A 30 -0.707 -5.043 8.617 1.00 0.71 H new ATOM 0 HB3 ALA A 30 -1.184 -6.402 7.571 1.00 0.71 H new ATOM 67 N ILE A 31 -0.122 -4.379 4.348 1.00 0.49 N ATOM 68 CA ILE A 31 0.207 -4.857 3.021 1.00 0.53 C ATOM 69 C ILE A 31 1.725 -4.937 2.872 1.00 0.43 C ATOM 70 O ILE A 31 2.454 -4.177 3.503 1.00 0.49 O ATOM 71 CB ILE A 31 -0.293 -4.054 2.080 1.00 0.62 C ATOM 72 CG1 ILE A 31 -1.763 -3.720 2.360 1.00 0.82 C ATOM 73 CG2 ILE A 31 -0.156 -4.686 0.697 1.00 1.08 C ATOM 74 CD1 ILE A 31 -2.338 -2.673 1.429 1.00 0.96 C ATOM 0 H ILE A 31 0.251 -3.455 4.566 1.00 0.49 H new ATOM 0 HA ILE A 31 -0.234 -5.846 2.893 1.00 0.53 H new ATOM 0 HB ILE A 31 0.281 -3.128 2.101 1.00 0.62 H new ATOM 0 HG12 ILE A 31 -2.355 -4.631 2.278 1.00 0.82 H new ATOM 0 HG13 ILE A 31 -1.857 -3.370 3.388 1.00 0.82 H new ATOM 0 HG21 ILE A 31 -0.571 -4.013 -0.053 1.00 1.08 H new ATOM 0 HG22 ILE A 31 0.897 -4.865 0.482 1.00 1.08 H new ATOM 0 HG23 ILE A 31 -0.697 -5.632 0.674 1.00 1.08 H new ATOM 0 HD11 ILE A 31 -3.381 -2.489 1.688 1.00 0.96 H new ATOM 0 HD12 ILE A 31 -1.771 -1.747 1.528 1.00 0.96 H new ATOM 0 HD13 ILE A 31 -2.277 -3.028 0.400 1.00 0.96 H new ATOM 86 N GLN A 32 2.202 -5.904 2.115 1.00 0.39 N ATOM 87 CA GLN A 32 3.611 -5.968 1.771 1.00 0.34 C ATOM 88 C GLN A 32 3.742 -5.793 0.271 1.00 0.33 C ATOM 89 O GLN A 32 2.950 -6.353 -0.487 1.00 0.36 O ATOM 90 CB GLN A 32 4.226 -7.299 2.221 1.00 0.37 C ATOM 91 CG GLN A 32 5.726 -7.403 1.973 1.00 0.53 C ATOM 92 CD GLN A 32 6.328 -8.678 2.534 1.00 0.58 C ATOM 93 OE1 GLN A 32 5.658 -9.702 2.645 1.00 0.68 O ATOM 94 NE2 GLN A 32 7.605 -8.627 2.872 1.00 0.86 N ATOM 0 H GLN A 32 1.636 -6.658 1.725 1.00 0.39 H new ATOM 0 HA GLN A 32 4.152 -5.174 2.286 1.00 0.34 H new ATOM 0 HB2 GLN A 32 4.034 -7.435 3.285 1.00 0.37 H new ATOM 0 HB3 GLN A 32 3.724 -8.114 1.700 1.00 0.37 H new ATOM 0 HG2 GLN A 32 5.916 -7.358 0.901 1.00 0.53 H new ATOM 0 HG3 GLN A 32 6.224 -6.543 2.421 1.00 0.53 H new ATOM 0 HE21 GLN A 32 8.127 -7.757 2.765 1.00 0.86 H new ATOM 0 HE22 GLN A 32 8.069 -9.458 3.240 1.00 0.86 H new ATOM 103 N LEU A 33 4.701 -4.991 -0.162 1.00 0.38 N ATOM 104 CA LEU A 33 4.901 -4.773 -1.586 1.00 0.41 C ATOM 105 C LEU A 33 6.367 -4.533 -1.899 1.00 0.33 C ATOM 106 O LEU A 33 7.143 -4.159 -1.019 1.00 0.36 O ATOM 107 CB LEU A 33 4.055 -3.601 -2.118 1.00 0.56 C ATOM 108 CG LEU A 33 4.542 -2.182 -1.786 1.00 0.91 C ATOM 109 CD1 LEU A 33 3.657 -1.153 -2.470 1.00 1.24 C ATOM 110 CD2 LEU A 33 4.569 -1.933 -0.284 1.00 1.62 C ATOM 0 H LEU A 33 5.347 -4.485 0.444 1.00 0.38 H new ATOM 0 HA LEU A 33 4.572 -5.681 -2.091 1.00 0.41 H new ATOM 0 HB2 LEU A 33 3.993 -3.693 -3.202 1.00 0.56 H new ATOM 0 HB3 LEU A 33 3.042 -3.711 -1.730 1.00 0.56 H new ATOM 0 HG LEU A 33 5.562 -2.086 -2.157 1.00 0.91 H new ATOM 0 HD11 LEU A 33 4.011 -0.151 -2.228 1.00 1.24 H new ATOM 0 HD12 LEU A 33 3.695 -1.301 -3.549 1.00 1.24 H new ATOM 0 HD13 LEU A 33 2.630 -1.269 -2.124 1.00 1.24 H new ATOM 0 HD21 LEU A 33 4.919 -0.919 -0.090 1.00 1.62 H new ATOM 0 HD22 LEU A 33 3.565 -2.055 0.123 1.00 1.62 H new ATOM 0 HD23 LEU A 33 5.242 -2.646 0.191 1.00 1.62 H new ATOM 122 N ASP A 34 6.741 -4.741 -3.151 1.00 0.33 N ATOM 123 CA ASP A 34 8.108 -4.486 -3.584 1.00 0.34 C ATOM 124 C ASP A 34 8.179 -3.179 -4.354 1.00 0.40 C ATOM 125 O ASP A 34 7.150 -2.605 -4.714 1.00 0.43 O ATOM 126 CB ASP A 34 8.690 -5.640 -4.420 1.00 0.38 C ATOM 127 CG ASP A 34 7.887 -5.999 -5.662 1.00 0.51 C ATOM 128 OD1 ASP A 34 7.526 -5.096 -6.447 1.00 0.89 O ATOM 129 OD2 ASP A 34 7.654 -7.209 -5.876 1.00 1.22 O ATOM 0 H ASP A 34 6.121 -5.085 -3.884 1.00 0.33 H new ATOM 0 HA ASP A 34 8.721 -4.409 -2.686 1.00 0.34 H new ATOM 0 HB2 ASP A 34 9.703 -5.375 -4.724 1.00 0.38 H new ATOM 0 HB3 ASP A 34 8.768 -6.524 -3.787 1.00 0.38 H new ATOM 134 N GLY A 35 9.398 -2.709 -4.584 1.00 0.47 N ATOM 135 CA GLY A 35 9.613 -1.400 -5.179 1.00 0.57 C ATOM 136 C GLY A 35 9.006 -1.247 -6.561 1.00 0.64 C ATOM 137 O GLY A 35 8.833 -0.127 -7.042 1.00 0.79 O ATOM 0 H GLY A 35 10.255 -3.218 -4.366 1.00 0.47 H new ATOM 0 HA2 GLY A 35 9.192 -0.639 -4.522 1.00 0.57 H new ATOM 0 HA3 GLY A 35 10.685 -1.211 -5.240 1.00 0.57 H new ATOM 141 N ASP A 36 8.681 -2.360 -7.202 1.00 0.58 N ATOM 142 CA ASP A 36 8.100 -2.322 -8.537 1.00 0.66 C ATOM 143 C ASP A 36 6.587 -2.253 -8.473 1.00 0.61 C ATOM 144 O ASP A 36 5.941 -1.823 -9.428 1.00 0.78 O ATOM 145 CB ASP A 36 8.551 -3.523 -9.364 1.00 0.69 C ATOM 146 CG ASP A 36 9.939 -3.321 -9.924 1.00 1.21 C ATOM 147 OD1 ASP A 36 10.059 -2.895 -11.091 1.00 1.95 O ATOM 148 OD2 ASP A 36 10.921 -3.613 -9.209 1.00 1.56 O ATOM 0 H ASP A 36 8.809 -3.298 -6.822 1.00 0.58 H new ATOM 0 HA ASP A 36 8.458 -1.417 -9.029 1.00 0.66 H new ATOM 0 HB2 ASP A 36 8.535 -4.419 -8.744 1.00 0.69 H new ATOM 0 HB3 ASP A 36 7.849 -3.688 -10.181 1.00 0.69 H new ATOM 153 N GLY A 37 6.021 -2.665 -7.348 1.00 0.51 N ATOM 154 CA GLY A 37 4.598 -2.525 -7.152 1.00 0.53 C ATOM 155 C GLY A 37 3.877 -3.844 -6.997 1.00 0.47 C ATOM 156 O GLY A 37 2.652 -3.862 -6.886 1.00 0.53 O ATOM 0 H GLY A 37 6.523 -3.093 -6.570 1.00 0.51 H new ATOM 0 HA2 GLY A 37 4.420 -1.916 -6.265 1.00 0.53 H new ATOM 0 HA3 GLY A 37 4.174 -1.986 -7.999 1.00 0.53 H new ATOM 160 N ASN A 38 4.615 -4.947 -6.985 1.00 0.40 N ATOM 161 CA ASN A 38 3.986 -6.252 -6.810 1.00 0.39 C ATOM 162 C ASN A 38 3.500 -6.387 -5.388 1.00 0.34 C ATOM 163 O ASN A 38 4.249 -6.143 -4.440 1.00 0.40 O ATOM 164 CB ASN A 38 4.935 -7.411 -7.106 1.00 0.44 C ATOM 165 CG ASN A 38 5.414 -7.455 -8.535 1.00 0.70 C ATOM 166 OD1 ASN A 38 4.773 -8.047 -9.403 1.00 1.30 O ATOM 167 ND2 ASN A 38 6.553 -6.843 -8.787 1.00 1.24 N ATOM 0 H ASN A 38 5.629 -4.967 -7.092 1.00 0.40 H new ATOM 0 HA ASN A 38 3.161 -6.304 -7.520 1.00 0.39 H new ATOM 0 HB2 ASN A 38 5.799 -7.339 -6.445 1.00 0.44 H new ATOM 0 HB3 ASN A 38 4.432 -8.349 -6.872 1.00 0.44 H new ATOM 0 HD21 ASN A 38 6.936 -6.848 -9.732 1.00 1.24 H new ATOM 0 HD22 ASN A 38 7.052 -6.364 -8.037 1.00 1.24 H new ATOM 174 N ILE A 39 2.251 -6.760 -5.239 1.00 0.32 N ATOM 175 CA ILE A 39 1.687 -6.950 -3.928 1.00 0.32 C ATOM 176 C ILE A 39 2.028 -8.345 -3.405 1.00 0.36 C ATOM 177 O ILE A 39 2.166 -9.296 -4.178 1.00 0.41 O ATOM 178 CB ILE A 39 0.375 -6.781 -3.931 1.00 0.37 C ATOM 179 CG1 ILE A 39 -0.017 -5.529 -4.716 1.00 0.41 C ATOM 180 CG2 ILE A 39 -0.151 -6.686 -2.503 1.00 0.43 C ATOM 181 CD1 ILE A 39 -1.513 -5.313 -4.813 1.00 0.89 C ATOM 0 H ILE A 39 1.608 -6.937 -6.011 1.00 0.32 H new ATOM 0 HA ILE A 39 2.122 -6.197 -3.270 1.00 0.32 H new ATOM 0 HB ILE A 39 -0.073 -7.646 -4.419 1.00 0.37 H new ATOM 0 HG12 ILE A 39 0.437 -4.658 -4.243 1.00 0.41 H new ATOM 0 HG13 ILE A 39 0.397 -5.598 -5.722 1.00 0.41 H new ATOM 0 HG21 ILE A 39 -1.232 -6.547 -2.522 1.00 0.43 H new ATOM 0 HG22 ILE A 39 0.088 -7.604 -1.966 1.00 0.43 H new ATOM 0 HG23 ILE A 39 0.315 -5.839 -1.999 1.00 0.43 H new ATOM 0 HD11 ILE A 39 -1.713 -4.406 -5.384 1.00 0.89 H new ATOM 0 HD12 ILE A 39 -1.972 -6.166 -5.313 1.00 0.89 H new ATOM 0 HD13 ILE A 39 -1.932 -5.211 -3.812 1.00 0.89 H new ATOM 193 N LEU A 40 2.260 -8.433 -2.107 1.00 0.40 N ATOM 194 CA LEU A 40 2.558 -9.691 -1.453 1.00 0.49 C ATOM 195 C LEU A 40 1.297 -10.268 -0.834 1.00 0.56 C ATOM 196 O LEU A 40 0.706 -11.213 -1.355 1.00 0.73 O ATOM 197 CB LEU A 40 3.620 -9.468 -0.376 1.00 0.55 C ATOM 198 CG LEU A 40 5.074 -9.425 -0.864 1.00 0.59 C ATOM 199 CD1 LEU A 40 5.522 -10.801 -1.323 1.00 1.39 C ATOM 200 CD2 LEU A 40 5.250 -8.408 -1.984 1.00 1.45 C ATOM 0 H LEU A 40 2.247 -7.631 -1.477 1.00 0.40 H new ATOM 0 HA LEU A 40 2.939 -10.398 -2.190 1.00 0.49 H new ATOM 0 HB2 LEU A 40 3.401 -8.530 0.134 1.00 0.55 H new ATOM 0 HB3 LEU A 40 3.530 -10.262 0.365 1.00 0.55 H new ATOM 0 HG LEU A 40 5.699 -9.115 -0.027 1.00 0.59 H new ATOM 0 HD11 LEU A 40 6.556 -10.752 -1.666 1.00 1.39 H new ATOM 0 HD12 LEU A 40 5.448 -11.503 -0.493 1.00 1.39 H new ATOM 0 HD13 LEU A 40 4.884 -11.137 -2.141 1.00 1.39 H new ATOM 0 HD21 LEU A 40 6.291 -8.401 -2.309 1.00 1.45 H new ATOM 0 HD22 LEU A 40 4.610 -8.677 -2.824 1.00 1.45 H new ATOM 0 HD23 LEU A 40 4.976 -7.417 -1.622 1.00 1.45 H new ATOM 212 N GLN A 41 0.886 -9.690 0.282 1.00 0.59 N ATOM 213 CA GLN A 41 -0.339 -10.099 0.940 1.00 0.73 C ATOM 214 C GLN A 41 -0.917 -8.947 1.746 1.00 0.61 C ATOM 215 O GLN A 41 -0.182 -8.114 2.280 1.00 0.60 O ATOM 216 CB GLN A 41 -0.112 -11.312 1.859 1.00 0.99 C ATOM 217 CG GLN A 41 0.848 -11.052 3.013 1.00 0.88 C ATOM 218 CD GLN A 41 2.255 -11.561 2.750 1.00 1.20 C ATOM 219 OE1 GLN A 41 2.703 -11.637 1.608 1.00 1.99 O ATOM 220 NE2 GLN A 41 2.958 -11.916 3.811 1.00 1.30 N ATOM 0 H GLN A 41 1.386 -8.934 0.751 1.00 0.59 H new ATOM 0 HA GLN A 41 -1.046 -10.389 0.163 1.00 0.73 H new ATOM 0 HB2 GLN A 41 -1.072 -11.630 2.265 1.00 0.99 H new ATOM 0 HB3 GLN A 41 0.272 -12.139 1.262 1.00 0.99 H new ATOM 0 HG2 GLN A 41 0.887 -9.981 3.209 1.00 0.88 H new ATOM 0 HG3 GLN A 41 0.460 -11.527 3.914 1.00 0.88 H new ATOM 0 HE21 GLN A 41 2.550 -11.838 4.743 1.00 1.30 H new ATOM 0 HE22 GLN A 41 3.909 -12.268 3.698 1.00 1.30 H new ATOM 229 N TYR A 42 -2.233 -8.891 1.778 1.00 0.68 N ATOM 230 CA TYR A 42 -2.953 -7.979 2.655 1.00 0.69 C ATOM 231 C TYR A 42 -3.234 -8.671 3.978 1.00 0.78 C ATOM 232 O TYR A 42 -3.261 -9.902 4.044 1.00 1.25 O ATOM 233 CB TYR A 42 -4.290 -7.557 2.036 1.00 0.78 C ATOM 234 CG TYR A 42 -4.199 -6.549 0.913 1.00 0.68 C ATOM 235 CD1 TYR A 42 -5.107 -5.506 0.791 1.00 0.83 C ATOM 236 CD2 TYR A 42 -3.176 -6.637 -0.016 1.00 0.57 C ATOM 237 CE1 TYR A 42 -4.993 -4.581 -0.229 1.00 0.80 C ATOM 238 CE2 TYR A 42 -3.057 -5.721 -1.039 1.00 0.56 C ATOM 239 CZ TYR A 42 -4.100 -4.702 -1.159 1.00 0.63 C ATOM 240 OH TYR A 42 -3.841 -3.770 -2.151 1.00 0.71 O ATOM 0 H TYR A 42 -2.837 -9.474 1.199 1.00 0.68 H new ATOM 0 HA TYR A 42 -2.335 -7.093 2.804 1.00 0.69 H new ATOM 0 HB2 TYR A 42 -4.794 -8.448 1.661 1.00 0.78 H new ATOM 0 HB3 TYR A 42 -4.920 -7.142 2.823 1.00 0.78 H new ATOM 0 HD1 TYR A 42 -5.914 -5.416 1.503 1.00 0.83 H new ATOM 0 HD2 TYR A 42 -2.457 -7.439 0.063 1.00 0.57 H new ATOM 0 HE1 TYR A 42 -5.665 -3.736 -0.251 1.00 0.80 H new ATOM 0 HE2 TYR A 42 -2.225 -5.754 -1.726 1.00 0.56 H new ATOM 0 HH TYR A 42 -2.943 -3.398 -2.024 1.00 0.71 H new ATOM 250 N ASN A 43 -3.440 -7.890 5.023 1.00 0.89 N ATOM 251 CA ASN A 43 -3.899 -8.437 6.288 1.00 0.95 C ATOM 252 C ASN A 43 -5.345 -8.879 6.136 1.00 1.08 C ATOM 253 O ASN A 43 -6.067 -8.369 5.273 1.00 1.63 O ATOM 254 CB ASN A 43 -3.784 -7.402 7.415 1.00 0.96 C ATOM 255 CG ASN A 43 -4.117 -7.983 8.777 1.00 1.38 C ATOM 256 OD1 ASN A 43 -3.926 -9.172 9.019 1.00 2.13 O ATOM 257 ND2 ASN A 43 -4.612 -7.149 9.680 1.00 1.66 N ATOM 0 H ASN A 43 -3.298 -6.880 5.022 1.00 0.89 H new ATOM 0 HA ASN A 43 -3.271 -9.288 6.553 1.00 0.95 H new ATOM 0 HB2 ASN A 43 -2.771 -7.001 7.433 1.00 0.96 H new ATOM 0 HB3 ASN A 43 -4.453 -6.567 7.207 1.00 0.96 H new ATOM 0 HD21 ASN A 43 -4.848 -7.488 10.612 1.00 1.66 H new ATOM 0 HD22 ASN A 43 -4.757 -6.168 9.443 1.00 1.66 H new ATOM 264 N ALA A 44 -5.765 -9.803 6.981 1.00 1.12 N ATOM 265 CA ALA A 44 -7.109 -10.362 6.912 1.00 1.23 C ATOM 266 C ALA A 44 -8.156 -9.263 7.032 1.00 1.22 C ATOM 267 O ALA A 44 -9.215 -9.328 6.416 1.00 1.39 O ATOM 268 CB ALA A 44 -7.304 -11.403 8.003 1.00 1.48 C ATOM 0 H ALA A 44 -5.191 -10.187 7.731 1.00 1.12 H new ATOM 0 HA ALA A 44 -7.231 -10.845 5.943 1.00 1.23 H new ATOM 0 HB1 ALA A 44 -8.312 -11.812 7.940 1.00 1.48 H new ATOM 0 HB2 ALA A 44 -6.578 -12.206 7.874 1.00 1.48 H new ATOM 0 HB3 ALA A 44 -7.162 -10.938 8.979 1.00 1.48 H new ATOM 274 N ALA A 45 -7.843 -8.247 7.822 1.00 1.21 N ATOM 275 CA ALA A 45 -8.735 -7.113 8.001 1.00 1.34 C ATOM 276 C ALA A 45 -8.815 -6.268 6.737 1.00 1.26 C ATOM 277 O ALA A 45 -9.900 -5.993 6.226 1.00 1.38 O ATOM 278 CB ALA A 45 -8.252 -6.258 9.157 1.00 1.52 C ATOM 0 H ALA A 45 -6.973 -8.185 8.351 1.00 1.21 H new ATOM 0 HA ALA A 45 -9.732 -7.497 8.218 1.00 1.34 H new ATOM 0 HB1 ALA A 45 -8.924 -5.409 9.287 1.00 1.52 H new ATOM 0 HB2 ALA A 45 -8.239 -6.854 10.070 1.00 1.52 H new ATOM 0 HB3 ALA A 45 -7.246 -5.895 8.946 1.00 1.52 H new ATOM 284 N GLU A 46 -7.649 -5.874 6.237 1.00 1.18 N ATOM 285 CA GLU A 46 -7.555 -4.969 5.098 1.00 1.23 C ATOM 286 C GLU A 46 -8.200 -5.573 3.857 1.00 1.20 C ATOM 287 O GLU A 46 -8.958 -4.907 3.151 1.00 1.42 O ATOM 288 CB GLU A 46 -6.084 -4.641 4.819 1.00 1.27 C ATOM 289 CG GLU A 46 -5.874 -3.609 3.723 1.00 1.10 C ATOM 290 CD GLU A 46 -6.606 -2.316 4.005 1.00 1.31 C ATOM 291 OE1 GLU A 46 -6.445 -1.761 5.108 1.00 2.12 O ATOM 292 OE2 GLU A 46 -7.494 -1.729 3.013 1.00 1.31 O ATOM 0 H GLU A 46 -6.747 -6.171 6.608 1.00 1.18 H new ATOM 0 HA GLU A 46 -8.093 -4.053 5.343 1.00 1.23 H new ATOM 0 HB2 GLU A 46 -5.624 -4.278 5.738 1.00 1.27 H new ATOM 0 HB3 GLU A 46 -5.565 -5.559 4.543 1.00 1.27 H new ATOM 0 HG2 GLU A 46 -4.808 -3.405 3.618 1.00 1.10 H new ATOM 0 HG3 GLU A 46 -6.216 -4.017 2.772 1.00 1.10 H new ATOM 300 N GLY A 47 -7.911 -6.837 3.604 1.00 1.08 N ATOM 301 CA GLY A 47 -8.408 -7.473 2.407 1.00 1.18 C ATOM 302 C GLY A 47 -9.890 -7.770 2.467 1.00 1.25 C ATOM 303 O GLY A 47 -10.583 -7.664 1.453 1.00 1.42 O ATOM 0 H GLY A 47 -7.342 -7.433 4.205 1.00 1.08 H new ATOM 0 HA2 GLY A 47 -8.206 -6.830 1.550 1.00 1.18 H new ATOM 0 HA3 GLY A 47 -7.863 -8.403 2.243 1.00 1.18 H new ATOM 307 N ASP A 48 -10.380 -8.110 3.654 1.00 1.26 N ATOM 308 CA ASP A 48 -11.773 -8.519 3.815 1.00 1.49 C ATOM 309 C ASP A 48 -12.716 -7.342 3.601 1.00 1.53 C ATOM 310 O ASP A 48 -13.713 -7.454 2.888 1.00 1.74 O ATOM 311 CB ASP A 48 -11.995 -9.112 5.208 1.00 1.72 C ATOM 312 CG ASP A 48 -13.396 -9.659 5.400 1.00 2.01 C ATOM 313 OD1 ASP A 48 -14.305 -8.874 5.745 1.00 2.28 O ATOM 314 OD2 ASP A 48 -13.604 -10.869 5.178 1.00 2.35 O ATOM 0 H ASP A 48 -9.836 -8.111 4.517 1.00 1.26 H new ATOM 0 HA ASP A 48 -11.989 -9.278 3.063 1.00 1.49 H new ATOM 0 HB2 ASP A 48 -11.272 -9.910 5.377 1.00 1.72 H new ATOM 0 HB3 ASP A 48 -11.804 -8.345 5.959 1.00 1.72 H new ATOM 319 N ILE A 49 -12.386 -6.211 4.209 1.00 1.50 N ATOM 320 CA ILE A 49 -13.239 -5.035 4.143 1.00 1.74 C ATOM 321 C ILE A 49 -13.157 -4.366 2.772 1.00 1.73 C ATOM 322 O ILE A 49 -14.173 -4.192 2.096 1.00 2.08 O ATOM 323 CB ILE A 49 -12.911 -4.165 5.088 1.00 1.98 C ATOM 324 CG1 ILE A 49 -13.029 -4.799 6.467 1.00 2.10 C ATOM 325 CG2 ILE A 49 -13.774 -2.906 5.004 1.00 2.43 C ATOM 326 CD1 ILE A 49 -14.445 -5.170 6.867 1.00 2.59 C ATOM 0 H ILE A 49 -11.533 -6.084 4.754 1.00 1.50 H new ATOM 0 HA ILE A 49 -14.265 -5.365 4.304 1.00 1.74 H new ATOM 0 HB ILE A 49 -11.873 -3.874 4.927 1.00 1.98 H new ATOM 0 HG12 ILE A 49 -12.410 -5.695 6.496 1.00 2.10 H new ATOM 0 HG13 ILE A 49 -12.624 -4.108 7.207 1.00 2.10 H new ATOM 0 HG21 ILE A 49 -13.482 -2.211 5.792 1.00 2.43 H new ATOM 0 HG22 ILE A 49 -13.634 -2.433 4.032 1.00 2.43 H new ATOM 0 HG23 ILE A 49 -14.823 -3.175 5.128 1.00 2.43 H new ATOM 0 HD11 ILE A 49 -14.437 -5.615 7.862 1.00 2.59 H new ATOM 0 HD12 ILE A 49 -15.067 -4.275 6.874 1.00 2.59 H new ATOM 0 HD13 ILE A 49 -14.849 -5.887 6.152 1.00 2.59 H new ATOM 338 N THR A 50 -11.948 -4.016 2.355 1.00 1.71 N ATOM 339 CA THR A 50 -11.745 -3.308 1.104 1.00 1.95 C ATOM 340 C THR A 50 -12.163 -4.154 -0.102 1.00 1.90 C ATOM 341 O THR A 50 -12.957 -3.711 -0.934 1.00 2.37 O ATOM 342 CB THR A 50 -10.484 -2.952 0.989 1.00 2.44 C ATOM 343 OG1 THR A 50 -10.057 -2.340 2.217 1.00 3.41 O ATOM 344 CG2 THR A 50 -10.289 -1.977 -0.160 1.00 2.45 C ATOM 0 H THR A 50 -11.090 -4.213 2.870 1.00 1.71 H new ATOM 0 HA THR A 50 -12.376 -2.419 1.119 1.00 1.95 H new ATOM 0 HB THR A 50 -9.889 -3.841 0.782 1.00 2.44 H new ATOM 0 HG1 THR A 50 -9.080 -2.266 2.223 1.00 3.41 H new ATOM 0 HG21 THR A 50 -9.237 -1.702 -0.229 1.00 2.45 H new ATOM 0 HG22 THR A 50 -10.603 -2.446 -1.092 1.00 2.45 H new ATOM 0 HG23 THR A 50 -10.887 -1.083 0.016 1.00 2.45 H new ATOM 352 N GLY A 51 -11.669 -5.382 -0.170 1.00 1.87 N ATOM 353 CA GLY A 51 -11.989 -6.239 -1.295 1.00 2.32 C ATOM 354 C GLY A 51 -10.752 -6.679 -2.047 1.00 1.77 C ATOM 355 O GLY A 51 -10.710 -6.646 -3.276 1.00 2.08 O ATOM 0 H GLY A 51 -11.055 -5.799 0.530 1.00 1.87 H new ATOM 0 HA2 GLY A 51 -12.528 -7.117 -0.939 1.00 2.32 H new ATOM 0 HA3 GLY A 51 -12.657 -5.710 -1.975 1.00 2.32 H new ATOM 359 N ARG A 52 -9.734 -7.076 -1.299 1.00 1.46 N ATOM 360 CA ARG A 52 -8.487 -7.555 -1.878 1.00 1.09 C ATOM 361 C ARG A 52 -8.036 -8.797 -1.127 1.00 1.03 C ATOM 362 O ARG A 52 -7.384 -8.700 -0.089 1.00 1.29 O ATOM 363 CB ARG A 52 -7.393 -6.481 -1.812 1.00 1.22 C ATOM 364 CG ARG A 52 -7.708 -5.205 -2.585 1.00 1.55 C ATOM 365 CD ARG A 52 -7.857 -5.473 -4.072 1.00 1.67 C ATOM 366 NE ARG A 52 -8.102 -4.248 -4.833 1.00 1.96 N ATOM 367 CZ ARG A 52 -9.235 -3.996 -5.487 1.00 2.47 C ATOM 368 NH1 ARG A 52 -10.256 -4.841 -5.396 1.00 2.72 N ATOM 369 NH2 ARG A 52 -9.352 -2.889 -6.214 1.00 3.14 N ATOM 0 H ARG A 52 -9.748 -7.076 -0.279 1.00 1.46 H new ATOM 0 HA ARG A 52 -8.659 -7.793 -2.928 1.00 1.09 H new ATOM 0 HB2 ARG A 52 -7.218 -6.223 -0.767 1.00 1.22 H new ATOM 0 HB3 ARG A 52 -6.464 -6.903 -2.196 1.00 1.22 H new ATOM 0 HG2 ARG A 52 -8.628 -4.764 -2.201 1.00 1.55 H new ATOM 0 HG3 ARG A 52 -6.914 -4.476 -2.424 1.00 1.55 H new ATOM 0 HD2 ARG A 52 -6.953 -5.955 -4.445 1.00 1.67 H new ATOM 0 HD3 ARG A 52 -8.680 -6.169 -4.233 1.00 1.67 H new ATOM 0 HE ARG A 52 -7.363 -3.546 -4.865 1.00 1.96 H new ATOM 0 HH11 ARG A 52 -10.172 -5.682 -4.826 1.00 2.72 H new ATOM 0 HH12 ARG A 52 -11.124 -4.648 -5.897 1.00 2.72 H new ATOM 0 HH21 ARG A 52 -8.574 -2.232 -6.271 1.00 3.14 H new ATOM 0 HH22 ARG A 52 -10.220 -2.697 -6.714 1.00 3.14 H new ATOM 383 N ASP A 53 -8.414 -9.957 -1.641 1.00 0.94 N ATOM 384 CA ASP A 53 -8.169 -11.226 -0.955 1.00 1.00 C ATOM 385 C ASP A 53 -6.693 -11.467 -0.672 1.00 0.89 C ATOM 386 O ASP A 53 -5.821 -11.141 -1.486 1.00 0.82 O ATOM 387 CB ASP A 53 -8.727 -12.396 -1.758 1.00 1.18 C ATOM 388 CG ASP A 53 -10.231 -12.515 -1.637 1.00 1.55 C ATOM 389 OD1 ASP A 53 -10.705 -13.198 -0.707 1.00 1.90 O ATOM 390 OD2 ASP A 53 -10.946 -11.940 -2.480 1.00 2.10 O ATOM 0 H ASP A 53 -8.895 -10.051 -2.536 1.00 0.94 H new ATOM 0 HA ASP A 53 -8.685 -11.157 0.003 1.00 1.00 H new ATOM 0 HB2 ASP A 53 -8.458 -12.274 -2.807 1.00 1.18 H new ATOM 0 HB3 ASP A 53 -8.264 -13.321 -1.416 1.00 1.18 H new ATOM 395 N PRO A 54 -6.404 -12.052 0.501 1.00 1.02 N ATOM 396 CA PRO A 54 -5.044 -12.389 0.911 1.00 1.10 C ATOM 397 C PRO A 54 -4.343 -13.293 -0.099 1.00 1.03 C ATOM 398 O PRO A 54 -4.770 -14.422 -0.345 1.00 1.68 O ATOM 399 CB PRO A 54 -5.230 -13.115 2.246 1.00 1.35 C ATOM 400 CG PRO A 54 -6.553 -12.652 2.750 1.00 1.43 C ATOM 401 CD PRO A 54 -7.395 -12.420 1.530 1.00 1.25 C ATOM 0 HA PRO A 54 -4.414 -11.502 0.986 1.00 1.10 H new ATOM 0 HB2 PRO A 54 -5.214 -14.197 2.114 1.00 1.35 H new ATOM 0 HB3 PRO A 54 -4.432 -12.867 2.945 1.00 1.35 H new ATOM 0 HG2 PRO A 54 -7.006 -13.398 3.402 1.00 1.43 H new ATOM 0 HG3 PRO A 54 -6.451 -11.738 3.335 1.00 1.43 H new ATOM 0 HD2 PRO A 54 -7.953 -13.313 1.250 1.00 1.25 H new ATOM 0 HD3 PRO A 54 -8.124 -11.626 1.689 1.00 1.25 H new ATOM 409 N LYS A 55 -3.302 -12.741 -0.714 1.00 0.89 N ATOM 410 CA LYS A 55 -2.419 -13.470 -1.631 1.00 0.96 C ATOM 411 C LYS A 55 -3.052 -13.662 -3.007 1.00 0.82 C ATOM 412 O LYS A 55 -2.542 -14.413 -3.834 1.00 0.92 O ATOM 413 CB LYS A 55 -1.967 -14.815 -1.046 1.00 1.26 C ATOM 414 CG LYS A 55 -0.977 -14.676 0.101 1.00 1.53 C ATOM 415 CD LYS A 55 -0.359 -16.016 0.470 1.00 2.06 C ATOM 416 CE LYS A 55 0.713 -15.863 1.537 1.00 2.89 C ATOM 417 NZ LYS A 55 1.402 -17.151 1.819 1.00 3.61 N ATOM 0 H LYS A 55 -3.041 -11.763 -0.591 1.00 0.89 H new ATOM 0 HA LYS A 55 -1.532 -12.850 -1.760 1.00 0.96 H new ATOM 0 HB2 LYS A 55 -2.842 -15.362 -0.696 1.00 1.26 H new ATOM 0 HB3 LYS A 55 -1.513 -15.412 -1.837 1.00 1.26 H new ATOM 0 HG2 LYS A 55 -0.190 -13.976 -0.179 1.00 1.53 H new ATOM 0 HG3 LYS A 55 -1.483 -14.256 0.970 1.00 1.53 H new ATOM 0 HD2 LYS A 55 -1.137 -16.690 0.829 1.00 2.06 H new ATOM 0 HD3 LYS A 55 0.074 -16.475 -0.419 1.00 2.06 H new ATOM 0 HE2 LYS A 55 1.445 -15.123 1.213 1.00 2.89 H new ATOM 0 HE3 LYS A 55 0.261 -15.484 2.454 1.00 2.89 H new ATOM 0 HZ1 LYS A 55 2.125 -17.005 2.552 1.00 3.61 H new ATOM 0 HZ2 LYS A 55 0.708 -17.850 2.152 1.00 3.61 H new ATOM 0 HZ3 LYS A 55 1.855 -17.500 0.950 1.00 3.61 H new ATOM 431 N GLN A 56 -4.153 -12.967 -3.258 1.00 0.72 N ATOM 432 CA GLN A 56 -4.708 -12.891 -4.605 1.00 0.73 C ATOM 433 C GLN A 56 -4.133 -11.669 -5.312 1.00 0.63 C ATOM 434 O GLN A 56 -4.509 -11.336 -6.436 1.00 0.79 O ATOM 435 CB GLN A 56 -6.236 -12.807 -4.570 1.00 0.87 C ATOM 436 CG GLN A 56 -6.916 -14.079 -4.093 1.00 1.32 C ATOM 437 CD GLN A 56 -6.631 -15.268 -4.988 1.00 1.92 C ATOM 438 OE1 GLN A 56 -7.332 -15.505 -5.971 1.00 2.50 O ATOM 439 NE2 GLN A 56 -5.612 -16.038 -4.646 1.00 2.41 N ATOM 0 H GLN A 56 -4.678 -12.450 -2.552 1.00 0.72 H new ATOM 0 HA GLN A 56 -4.437 -13.796 -5.148 1.00 0.73 H new ATOM 0 HB2 GLN A 56 -6.529 -11.984 -3.918 1.00 0.87 H new ATOM 0 HB3 GLN A 56 -6.599 -12.566 -5.569 1.00 0.87 H new ATOM 0 HG2 GLN A 56 -6.584 -14.305 -3.080 1.00 1.32 H new ATOM 0 HG3 GLN A 56 -7.993 -13.915 -4.047 1.00 1.32 H new ATOM 0 HE21 GLN A 56 -5.053 -15.809 -3.824 1.00 2.41 H new ATOM 0 HE22 GLN A 56 -5.385 -16.861 -5.204 1.00 2.41 H new ATOM 448 N VAL A 57 -3.208 -11.012 -4.623 1.00 0.52 N ATOM 449 CA VAL A 57 -2.571 -9.800 -5.116 1.00 0.48 C ATOM 450 C VAL A 57 -1.109 -10.031 -5.474 1.00 0.55 C ATOM 451 O VAL A 57 -0.349 -9.083 -5.641 1.00 0.97 O ATOM 452 CB VAL A 57 -2.637 -8.818 -4.230 1.00 0.52 C ATOM 453 CG1 VAL A 57 -4.021 -8.183 -4.243 1.00 0.62 C ATOM 454 CG2 VAL A 57 -2.288 -9.313 -2.829 1.00 0.58 C ATOM 0 H VAL A 57 -2.878 -11.307 -3.704 1.00 0.52 H new ATOM 0 HA VAL A 57 -3.120 -9.518 -6.014 1.00 0.48 H new ATOM 0 HB VAL A 57 -1.903 -8.062 -4.510 1.00 0.52 H new ATOM 0 HG11 VAL A 57 -4.059 -7.378 -3.509 1.00 0.62 H new ATOM 0 HG12 VAL A 57 -4.227 -7.780 -5.235 1.00 0.62 H new ATOM 0 HG13 VAL A 57 -4.769 -8.936 -3.994 1.00 0.62 H new ATOM 0 HG21 VAL A 57 -2.351 -8.484 -2.124 1.00 0.58 H new ATOM 0 HG22 VAL A 57 -2.989 -10.094 -2.534 1.00 0.58 H new ATOM 0 HG23 VAL A 57 -1.275 -9.715 -2.827 1.00 0.58 H new ATOM 464 N ILE A 58 -0.713 -11.286 -5.588 1.00 0.51 N ATOM 465 CA ILE A 58 0.674 -11.604 -5.883 1.00 0.57 C ATOM 466 C ILE A 58 0.923 -11.447 -7.373 1.00 0.57 C ATOM 467 O ILE A 58 0.152 -11.959 -8.183 1.00 0.66 O ATOM 468 CB ILE A 58 0.996 -12.833 -5.499 1.00 0.70 C ATOM 469 CG1 ILE A 58 0.664 -13.050 -4.023 1.00 0.93 C ATOM 470 CG2 ILE A 58 2.478 -13.102 -5.752 1.00 1.09 C ATOM 471 CD1 ILE A 58 0.952 -14.454 -3.533 1.00 1.01 C ATOM 0 H ILE A 58 -1.325 -12.095 -5.482 1.00 0.51 H new ATOM 0 HA ILE A 58 1.302 -10.912 -5.323 1.00 0.57 H new ATOM 0 HB ILE A 58 0.407 -13.535 -6.089 1.00 0.70 H new ATOM 0 HG12 ILE A 58 1.235 -12.341 -3.423 1.00 0.93 H new ATOM 0 HG13 ILE A 58 -0.391 -12.827 -3.861 1.00 0.93 H new ATOM 0 HG21 ILE A 58 2.724 -14.114 -5.431 1.00 1.09 H new ATOM 0 HG22 ILE A 58 2.690 -12.997 -6.816 1.00 1.09 H new ATOM 0 HG23 ILE A 58 3.079 -12.387 -5.190 1.00 1.09 H new ATOM 0 HD11 ILE A 58 0.691 -14.532 -2.477 1.00 1.01 H new ATOM 0 HD12 ILE A 58 0.361 -15.168 -4.106 1.00 1.01 H new ATOM 0 HD13 ILE A 58 2.012 -14.674 -3.662 1.00 1.01 H new ATOM 483 N GLY A 59 1.954 -10.690 -7.737 1.00 0.59 N ATOM 484 CA GLY A 59 2.176 -10.390 -9.132 1.00 0.66 C ATOM 485 C GLY A 59 1.336 -9.221 -9.568 1.00 0.56 C ATOM 486 O GLY A 59 1.497 -8.696 -10.672 1.00 0.65 O ATOM 0 H GLY A 59 2.633 -10.284 -7.093 1.00 0.59 H new ATOM 0 HA2 GLY A 59 3.230 -10.168 -9.297 1.00 0.66 H new ATOM 0 HA3 GLY A 59 1.935 -11.263 -9.739 1.00 0.66 H new ATOM 490 N LYS A 60 0.447 -8.807 -8.681 1.00 0.48 N ATOM 491 CA LYS A 60 -0.467 -7.734 -8.960 1.00 0.45 C ATOM 492 C LYS A 60 0.207 -6.422 -8.635 1.00 0.38 C ATOM 493 O LYS A 60 0.805 -6.283 -7.572 1.00 0.43 O ATOM 494 CB LYS A 60 -1.730 -7.894 -8.121 1.00 0.49 C ATOM 495 CG LYS A 60 -2.919 -8.455 -8.882 1.00 0.80 C ATOM 496 CD LYS A 60 -4.193 -8.341 -8.059 1.00 1.12 C ATOM 497 CE LYS A 60 -5.411 -8.853 -8.815 1.00 1.27 C ATOM 498 NZ LYS A 60 -5.347 -10.320 -9.056 1.00 1.82 N ATOM 0 H LYS A 60 0.346 -9.211 -7.750 1.00 0.48 H new ATOM 0 HA LYS A 60 -0.746 -7.753 -10.014 1.00 0.45 H new ATOM 0 HB2 LYS A 60 -1.511 -8.549 -7.278 1.00 0.49 H new ATOM 0 HB3 LYS A 60 -2.003 -6.923 -7.708 1.00 0.49 H new ATOM 0 HG2 LYS A 60 -3.040 -7.918 -9.823 1.00 0.80 H new ATOM 0 HG3 LYS A 60 -2.735 -9.500 -9.133 1.00 0.80 H new ATOM 0 HD2 LYS A 60 -4.078 -8.905 -7.133 1.00 1.12 H new ATOM 0 HD3 LYS A 60 -4.352 -7.299 -7.780 1.00 1.12 H new ATOM 0 HE2 LYS A 60 -6.313 -8.618 -8.249 1.00 1.27 H new ATOM 0 HE3 LYS A 60 -5.489 -8.333 -9.770 1.00 1.27 H new ATOM 0 HZ1 LYS A 60 -6.282 -10.664 -9.354 1.00 1.82 H new ATOM 0 HZ2 LYS A 60 -4.651 -10.519 -9.803 1.00 1.82 H new ATOM 0 HZ3 LYS A 60 -5.063 -10.804 -8.180 1.00 1.82 H new ATOM 512 N ASN A 61 0.145 -5.474 -9.546 1.00 0.43 N ATOM 513 CA ASN A 61 0.764 -4.188 -9.300 1.00 0.42 C ATOM 514 C ASN A 61 -0.217 -3.270 -8.595 1.00 0.39 C ATOM 515 O ASN A 61 -1.238 -2.882 -9.166 1.00 0.42 O ATOM 516 CB ASN A 61 1.249 -3.535 -10.588 1.00 0.52 C ATOM 517 CG ASN A 61 2.267 -2.447 -10.308 1.00 0.58 C ATOM 518 OD1 ASN A 61 1.912 -1.308 -10.004 1.00 0.72 O ATOM 519 ND2 ASN A 61 3.539 -2.792 -10.428 1.00 0.71 N ATOM 0 H ASN A 61 -0.319 -5.566 -10.449 1.00 0.43 H new ATOM 0 HA ASN A 61 1.634 -4.356 -8.666 1.00 0.42 H new ATOM 0 HB2 ASN A 61 1.691 -4.291 -11.237 1.00 0.52 H new ATOM 0 HB3 ASN A 61 0.400 -3.112 -11.125 1.00 0.52 H new ATOM 0 HD21 ASN A 61 4.272 -2.101 -10.266 1.00 0.71 H new ATOM 0 HD22 ASN A 61 3.786 -3.748 -10.682 1.00 0.71 H new ATOM 526 N PHE A 62 0.101 -2.949 -7.347 1.00 0.38 N ATOM 527 CA PHE A 62 -0.737 -2.101 -6.505 1.00 0.40 C ATOM 528 C PHE A 62 -1.180 -0.834 -7.238 1.00 0.47 C ATOM 529 O PHE A 62 -2.358 -0.663 -7.531 1.00 0.70 O ATOM 530 CB PHE A 62 0.028 -1.729 -5.229 1.00 0.43 C ATOM 531 CG PHE A 62 -0.811 -1.066 -4.171 1.00 0.45 C ATOM 532 CD1 PHE A 62 -0.947 0.312 -4.143 1.00 0.51 C ATOM 533 CD2 PHE A 62 -1.472 -1.819 -3.214 1.00 0.51 C ATOM 534 CE1 PHE A 62 -1.726 0.926 -3.181 1.00 0.55 C ATOM 535 CE2 PHE A 62 -2.251 -1.210 -2.249 1.00 0.56 C ATOM 536 CZ PHE A 62 -2.346 0.156 -2.202 1.00 0.53 C ATOM 0 H PHE A 62 0.952 -3.271 -6.887 1.00 0.38 H new ATOM 0 HA PHE A 62 -1.635 -2.663 -6.248 1.00 0.40 H new ATOM 0 HB2 PHE A 62 0.472 -2.632 -4.810 1.00 0.43 H new ATOM 0 HB3 PHE A 62 0.849 -1.063 -5.494 1.00 0.43 H new ATOM 0 HD1 PHE A 62 -0.438 0.914 -4.882 1.00 0.51 H new ATOM 0 HD2 PHE A 62 -1.377 -2.895 -3.222 1.00 0.51 H new ATOM 0 HE1 PHE A 62 -1.853 1.998 -3.189 1.00 0.55 H new ATOM 0 HE2 PHE A 62 -2.786 -1.812 -1.530 1.00 0.56 H new ATOM 0 HZ PHE A 62 -2.900 0.633 -1.408 1.00 0.53 H new ATOM 546 N PHE A 63 -0.225 0.017 -7.580 1.00 0.46 N ATOM 547 CA PHE A 63 -0.531 1.357 -8.084 1.00 0.55 C ATOM 548 C PHE A 63 -0.726 1.373 -9.598 1.00 0.66 C ATOM 549 O PHE A 63 -0.505 2.396 -10.247 1.00 0.91 O ATOM 550 CB PHE A 63 0.588 2.320 -7.692 1.00 0.57 C ATOM 551 CG PHE A 63 1.967 1.806 -8.008 1.00 0.57 C ATOM 552 CD1 PHE A 63 2.487 1.934 -9.287 1.00 0.82 C ATOM 553 CD2 PHE A 63 2.743 1.201 -7.031 1.00 0.77 C ATOM 554 CE1 PHE A 63 3.751 1.467 -9.585 1.00 1.10 C ATOM 555 CE2 PHE A 63 4.008 0.735 -7.324 1.00 1.04 C ATOM 556 CZ PHE A 63 4.510 0.847 -8.581 1.00 1.16 C ATOM 0 H PHE A 63 0.771 -0.192 -7.519 1.00 0.46 H new ATOM 0 HA PHE A 63 -1.471 1.674 -7.633 1.00 0.55 H new ATOM 0 HB2 PHE A 63 0.436 3.268 -8.208 1.00 0.57 H new ATOM 0 HB3 PHE A 63 0.522 2.524 -6.623 1.00 0.57 H new ATOM 0 HD1 PHE A 63 1.896 2.405 -10.059 1.00 0.82 H new ATOM 0 HD2 PHE A 63 2.353 1.093 -6.030 1.00 0.77 H new ATOM 0 HE1 PHE A 63 4.152 1.578 -10.582 1.00 1.10 H new ATOM 0 HE2 PHE A 63 4.604 0.278 -6.548 1.00 1.04 H new ATOM 0 HZ PHE A 63 5.492 0.459 -8.807 1.00 1.16 H new ATOM 566 N LYS A 64 -1.163 0.258 -10.151 1.00 0.57 N ATOM 567 CA LYS A 64 -1.317 0.144 -11.592 1.00 0.72 C ATOM 568 C LYS A 64 -2.542 -0.685 -11.946 1.00 0.72 C ATOM 569 O LYS A 64 -3.299 -0.348 -12.857 1.00 0.90 O ATOM 570 CB LYS A 64 -0.072 -0.487 -12.195 1.00 0.82 C ATOM 571 CG LYS A 64 -0.082 -0.548 -13.712 1.00 1.56 C ATOM 572 CD LYS A 64 1.255 -1.020 -14.241 1.00 2.11 C ATOM 573 CE LYS A 64 1.530 -2.472 -13.883 1.00 2.85 C ATOM 574 NZ LYS A 64 2.900 -2.894 -14.280 1.00 3.58 N ATOM 0 H LYS A 64 -1.417 -0.580 -9.628 1.00 0.57 H new ATOM 0 HA LYS A 64 -1.452 1.145 -12.003 1.00 0.72 H new ATOM 0 HB2 LYS A 64 0.802 0.077 -11.870 1.00 0.82 H new ATOM 0 HB3 LYS A 64 0.037 -1.498 -11.802 1.00 0.82 H new ATOM 0 HG2 LYS A 64 -0.869 -1.223 -14.048 1.00 1.56 H new ATOM 0 HG3 LYS A 64 -0.311 0.437 -14.118 1.00 1.56 H new ATOM 0 HD2 LYS A 64 1.278 -0.903 -15.325 1.00 2.11 H new ATOM 0 HD3 LYS A 64 2.048 -0.391 -13.836 1.00 2.11 H new ATOM 0 HE2 LYS A 64 1.405 -2.611 -12.809 1.00 2.85 H new ATOM 0 HE3 LYS A 64 0.797 -3.112 -14.374 1.00 2.85 H new ATOM 0 HZ1 LYS A 64 3.046 -3.890 -14.018 1.00 3.58 H new ATOM 0 HZ2 LYS A 64 3.012 -2.787 -15.308 1.00 3.58 H new ATOM 0 HZ3 LYS A 64 3.601 -2.301 -13.792 1.00 3.58 H new ATOM 588 N ASP A 65 -2.728 -1.774 -11.221 1.00 0.60 N ATOM 589 CA ASP A 65 -3.811 -2.703 -11.500 1.00 0.69 C ATOM 590 C ASP A 65 -5.026 -2.397 -10.633 1.00 0.74 C ATOM 591 O ASP A 65 -5.996 -1.800 -11.097 1.00 1.10 O ATOM 592 CB ASP A 65 -3.345 -4.149 -11.289 1.00 0.79 C ATOM 593 CG ASP A 65 -4.375 -5.170 -11.732 1.00 1.38 C ATOM 594 OD1 ASP A 65 -4.742 -5.179 -12.925 1.00 1.50 O ATOM 595 OD2 ASP A 65 -4.840 -5.960 -10.881 1.00 2.20 O ATOM 0 H ASP A 65 -2.140 -2.038 -10.430 1.00 0.60 H new ATOM 0 HA ASP A 65 -4.103 -2.583 -12.543 1.00 0.69 H new ATOM 0 HB2 ASP A 65 -2.419 -4.311 -11.840 1.00 0.79 H new ATOM 0 HB3 ASP A 65 -3.119 -4.302 -10.234 1.00 0.79 H new ATOM 600 N VAL A 66 -4.959 -2.791 -9.371 1.00 0.70 N ATOM 601 CA VAL A 66 -6.099 -2.707 -8.478 1.00 0.82 C ATOM 602 C VAL A 66 -6.159 -1.403 -7.686 1.00 0.70 C ATOM 603 O VAL A 66 -6.873 -1.316 -6.680 1.00 0.80 O ATOM 604 CB VAL A 66 -6.112 -3.709 -7.628 1.00 1.05 C ATOM 605 CG1 VAL A 66 -6.546 -4.992 -8.318 1.00 1.45 C ATOM 606 CG2 VAL A 66 -4.762 -3.896 -6.945 1.00 1.77 C ATOM 0 H VAL A 66 -4.118 -3.175 -8.941 1.00 0.70 H new ATOM 0 HA VAL A 66 -6.972 -2.747 -9.130 1.00 0.82 H new ATOM 0 HB VAL A 66 -6.837 -3.466 -6.852 1.00 1.05 H new ATOM 0 HG11 VAL A 66 -6.550 -5.809 -7.597 1.00 1.45 H new ATOM 0 HG12 VAL A 66 -7.548 -4.864 -8.727 1.00 1.45 H new ATOM 0 HG13 VAL A 66 -5.851 -5.224 -9.125 1.00 1.45 H new ATOM 0 HG21 VAL A 66 -4.818 -4.735 -6.251 1.00 1.77 H new ATOM 0 HG22 VAL A 66 -3.999 -4.098 -7.697 1.00 1.77 H new ATOM 0 HG23 VAL A 66 -4.502 -2.990 -6.398 1.00 1.77 H new ATOM 616 N ALA A 67 -5.407 -0.406 -8.127 1.00 0.56 N ATOM 617 CA ALA A 67 -5.381 0.892 -7.461 1.00 0.53 C ATOM 618 C ALA A 67 -4.738 1.956 -8.351 1.00 0.49 C ATOM 619 O ALA A 67 -3.533 2.190 -8.288 1.00 0.61 O ATOM 620 CB ALA A 67 -4.639 0.791 -6.135 1.00 0.60 C ATOM 0 H ALA A 67 -4.803 -0.469 -8.947 1.00 0.56 H new ATOM 0 HA ALA A 67 -6.411 1.193 -7.267 1.00 0.53 H new ATOM 0 HB1 ALA A 67 -4.627 1.767 -5.649 1.00 0.60 H new ATOM 0 HB2 ALA A 67 -5.142 0.071 -5.490 1.00 0.60 H new ATOM 0 HB3 ALA A 67 -3.615 0.463 -6.315 1.00 0.60 H new ATOM 626 N PRO A 68 -5.530 2.590 -9.227 1.00 0.44 N ATOM 627 CA PRO A 68 -5.034 3.615 -10.139 1.00 0.47 C ATOM 628 C PRO A 68 -5.115 5.038 -9.588 1.00 0.55 C ATOM 629 O PRO A 68 -4.659 5.979 -10.237 1.00 0.81 O ATOM 630 CB PRO A 68 -5.962 3.453 -11.335 1.00 0.56 C ATOM 631 CG PRO A 68 -7.270 3.040 -10.741 1.00 0.69 C ATOM 632 CD PRO A 68 -6.961 2.323 -9.446 1.00 0.47 C ATOM 0 HA PRO A 68 -3.973 3.486 -10.351 1.00 0.47 H new ATOM 0 HB2 PRO A 68 -6.056 4.384 -11.893 1.00 0.56 H new ATOM 0 HB3 PRO A 68 -5.587 2.702 -12.030 1.00 0.56 H new ATOM 0 HG2 PRO A 68 -7.902 3.909 -10.559 1.00 0.69 H new ATOM 0 HG3 PRO A 68 -7.814 2.387 -11.423 1.00 0.69 H new ATOM 0 HD2 PRO A 68 -7.569 2.702 -8.624 1.00 0.47 H new ATOM 0 HD3 PRO A 68 -7.161 1.254 -9.523 1.00 0.47 H new ATOM 640 N CYS A 69 -5.704 5.216 -8.408 1.00 0.51 N ATOM 641 CA CYS A 69 -5.693 6.529 -7.771 1.00 0.61 C ATOM 642 C CYS A 69 -4.301 6.825 -7.220 1.00 0.59 C ATOM 643 O CYS A 69 -3.865 7.976 -7.229 1.00 0.81 O ATOM 644 CB CYS A 69 -6.736 6.631 -6.648 1.00 0.85 C ATOM 645 SG CYS A 69 -6.266 5.836 -5.069 1.00 0.81 S ATOM 0 H CYS A 69 -6.185 4.485 -7.883 1.00 0.51 H new ATOM 0 HA CYS A 69 -5.954 7.268 -8.529 1.00 0.61 H new ATOM 0 HB2 CYS A 69 -6.940 7.685 -6.459 1.00 0.85 H new ATOM 0 HB3 CYS A 69 -7.667 6.184 -6.998 1.00 0.85 H new ATOM 0 HG CYS A 69 -7.131 4.911 -4.775 1.00 0.81 H new ATOM 650 N THR A 70 -3.503 5.774 -7.163 1.00 0.61 N ATOM 651 CA THR A 70 -2.543 5.621 -6.095 1.00 0.58 C ATOM 652 C THR A 70 -1.202 6.229 -6.488 1.00 0.55 C ATOM 653 O THR A 70 -0.538 6.878 -5.673 1.00 0.64 O ATOM 654 CB THR A 70 -2.390 4.343 -5.829 1.00 0.63 C ATOM 655 OG1 THR A 70 -3.682 3.731 -5.725 1.00 1.33 O ATOM 656 CG2 THR A 70 -1.618 4.129 -4.540 1.00 1.07 C ATOM 0 H THR A 70 -3.504 5.016 -7.846 1.00 0.61 H new ATOM 0 HA THR A 70 -2.912 6.141 -5.211 1.00 0.58 H new ATOM 0 HB THR A 70 -1.818 3.888 -6.638 1.00 0.63 H new ATOM 0 HG1 THR A 70 -4.342 4.404 -5.456 1.00 1.33 H new ATOM 0 HG21 THR A 70 -1.511 3.060 -4.353 1.00 1.07 H new ATOM 0 HG22 THR A 70 -0.631 4.582 -4.628 1.00 1.07 H new ATOM 0 HG23 THR A 70 -2.157 4.590 -3.712 1.00 1.07 H new ATOM 664 N ASP A 71 -0.831 6.078 -7.758 1.00 0.55 N ATOM 665 CA ASP A 71 0.463 6.577 -8.217 1.00 0.63 C ATOM 666 C ASP A 71 0.459 8.110 -8.245 1.00 0.70 C ATOM 667 O ASP A 71 -0.236 8.742 -9.041 1.00 0.88 O ATOM 668 CB ASP A 71 0.851 5.980 -9.583 1.00 0.76 C ATOM 669 CG ASP A 71 0.087 6.562 -10.755 1.00 0.96 C ATOM 670 OD1 ASP A 71 -1.132 6.295 -10.859 1.00 1.85 O ATOM 671 OD2 ASP A 71 0.687 7.292 -11.569 1.00 1.34 O ATOM 0 H ASP A 71 -1.396 5.623 -8.475 1.00 0.55 H new ATOM 0 HA ASP A 71 1.226 6.253 -7.509 1.00 0.63 H new ATOM 0 HB2 ASP A 71 1.917 6.136 -9.745 1.00 0.76 H new ATOM 0 HB3 ASP A 71 0.687 4.903 -9.556 1.00 0.76 H new ATOM 676 N SER A 72 1.215 8.699 -7.324 1.00 0.66 N ATOM 677 CA SER A 72 1.264 10.148 -7.153 1.00 0.77 C ATOM 678 C SER A 72 2.507 10.520 -6.344 1.00 0.76 C ATOM 679 O SER A 72 3.000 9.705 -5.569 1.00 0.71 O ATOM 680 CB SER A 72 0.005 10.647 -6.426 1.00 0.88 C ATOM 681 OG SER A 72 -1.181 10.349 -7.150 1.00 1.56 O ATOM 0 H SER A 72 1.811 8.186 -6.675 1.00 0.66 H new ATOM 0 HA SER A 72 1.308 10.619 -8.135 1.00 0.77 H new ATOM 0 HB2 SER A 72 -0.049 10.189 -5.438 1.00 0.88 H new ATOM 0 HB3 SER A 72 0.077 11.724 -6.275 1.00 0.88 H new ATOM 0 HG SER A 72 -0.949 10.093 -8.067 1.00 1.56 H new ATOM 687 N PRO A 73 3.032 11.745 -6.507 1.00 0.90 N ATOM 688 CA PRO A 73 4.230 12.199 -5.783 1.00 0.99 C ATOM 689 C PRO A 73 4.093 12.070 -4.266 1.00 0.96 C ATOM 690 O PRO A 73 5.058 11.748 -3.572 1.00 1.05 O ATOM 691 CB PRO A 73 4.355 13.671 -6.181 1.00 1.13 C ATOM 692 CG PRO A 73 3.644 13.776 -7.483 1.00 1.17 C ATOM 693 CD PRO A 73 2.522 12.778 -7.426 1.00 1.05 C ATOM 0 HA PRO A 73 5.101 11.596 -6.038 1.00 0.99 H new ATOM 0 HB2 PRO A 73 3.906 14.323 -5.432 1.00 1.13 H new ATOM 0 HB3 PRO A 73 5.400 13.967 -6.276 1.00 1.13 H new ATOM 0 HG2 PRO A 73 3.261 14.785 -7.638 1.00 1.17 H new ATOM 0 HG3 PRO A 73 4.317 13.560 -8.313 1.00 1.17 H new ATOM 0 HD2 PRO A 73 1.602 13.228 -7.054 1.00 1.05 H new ATOM 0 HD3 PRO A 73 2.300 12.366 -8.410 1.00 1.05 H new ATOM 701 N GLU A 74 2.888 12.302 -3.761 1.00 0.91 N ATOM 702 CA GLU A 74 2.637 12.277 -2.322 1.00 0.96 C ATOM 703 C GLU A 74 2.615 10.852 -1.762 1.00 0.93 C ATOM 704 O GLU A 74 2.719 10.660 -0.554 1.00 1.25 O ATOM 705 CB GLU A 74 1.319 12.989 -2.014 1.00 1.07 C ATOM 706 CG GLU A 74 0.127 12.426 -2.770 1.00 0.90 C ATOM 707 CD GLU A 74 -1.075 13.347 -2.724 1.00 1.59 C ATOM 708 OE1 GLU A 74 -1.996 13.099 -1.923 1.00 2.56 O ATOM 709 OE2 GLU A 74 -1.103 14.328 -3.494 1.00 1.58 O ATOM 0 H GLU A 74 2.065 12.510 -4.327 1.00 0.91 H new ATOM 0 HA GLU A 74 3.459 12.800 -1.834 1.00 0.96 H new ATOM 0 HB2 GLU A 74 1.123 12.923 -0.944 1.00 1.07 H new ATOM 0 HB3 GLU A 74 1.423 14.047 -2.255 1.00 1.07 H new ATOM 0 HG2 GLU A 74 0.408 12.252 -3.809 1.00 0.90 H new ATOM 0 HG3 GLU A 74 -0.144 11.459 -2.347 1.00 0.90 H new ATOM 716 N PHE A 75 2.487 9.858 -2.634 1.00 0.80 N ATOM 717 CA PHE A 75 2.449 8.467 -2.194 1.00 0.79 C ATOM 718 C PHE A 75 3.528 7.654 -2.901 1.00 0.66 C ATOM 719 O PHE A 75 4.548 7.312 -2.310 1.00 0.66 O ATOM 720 CB PHE A 75 1.065 7.853 -2.453 1.00 0.87 C ATOM 721 CG PHE A 75 0.916 6.442 -1.939 1.00 1.53 C ATOM 722 CD1 PHE A 75 1.230 5.356 -2.744 1.00 2.26 C ATOM 723 CD2 PHE A 75 0.461 6.204 -0.652 1.00 1.74 C ATOM 724 CE1 PHE A 75 1.094 4.062 -2.274 1.00 3.20 C ATOM 725 CE2 PHE A 75 0.323 4.914 -0.179 1.00 2.61 C ATOM 726 CZ PHE A 75 0.639 3.843 -0.990 1.00 3.36 C ATOM 0 H PHE A 75 2.408 9.987 -3.643 1.00 0.80 H new ATOM 0 HA PHE A 75 2.641 8.444 -1.121 1.00 0.79 H new ATOM 0 HB2 PHE A 75 0.307 8.481 -1.986 1.00 0.87 H new ATOM 0 HB3 PHE A 75 0.870 7.861 -3.525 1.00 0.87 H new ATOM 0 HD1 PHE A 75 1.585 5.523 -3.750 1.00 2.26 H new ATOM 0 HD2 PHE A 75 0.211 7.037 -0.011 1.00 1.74 H new ATOM 0 HE1 PHE A 75 1.343 3.226 -2.910 1.00 3.20 H new ATOM 0 HE2 PHE A 75 -0.033 4.743 0.826 1.00 2.61 H new ATOM 0 HZ PHE A 75 0.530 2.834 -0.620 1.00 3.36 H new ATOM 736 N TYR A 76 3.295 7.364 -4.176 1.00 0.59 N ATOM 737 CA TYR A 76 4.235 6.600 -4.988 1.00 0.50 C ATOM 738 C TYR A 76 5.590 7.303 -5.063 1.00 0.47 C ATOM 739 O TYR A 76 6.635 6.656 -5.041 1.00 0.49 O ATOM 740 CB TYR A 76 3.655 6.394 -6.392 1.00 0.51 C ATOM 741 CG TYR A 76 4.592 5.700 -7.353 1.00 0.49 C ATOM 742 CD1 TYR A 76 5.084 6.360 -8.473 1.00 0.58 C ATOM 743 CD2 TYR A 76 4.989 4.390 -7.137 1.00 0.51 C ATOM 744 CE1 TYR A 76 5.948 5.732 -9.349 1.00 0.66 C ATOM 745 CE2 TYR A 76 5.849 3.755 -8.009 1.00 0.59 C ATOM 746 CZ TYR A 76 6.326 4.429 -9.113 1.00 0.65 C ATOM 747 OH TYR A 76 7.197 3.802 -9.975 1.00 0.79 O ATOM 0 H TYR A 76 2.453 7.651 -4.674 1.00 0.59 H new ATOM 0 HA TYR A 76 4.391 5.628 -4.521 1.00 0.50 H new ATOM 0 HB2 TYR A 76 2.737 5.811 -6.312 1.00 0.51 H new ATOM 0 HB3 TYR A 76 3.381 7.364 -6.806 1.00 0.51 H new ATOM 0 HD1 TYR A 76 4.786 7.381 -8.661 1.00 0.58 H new ATOM 0 HD2 TYR A 76 4.619 3.858 -6.273 1.00 0.51 H new ATOM 0 HE1 TYR A 76 6.324 6.259 -10.213 1.00 0.66 H new ATOM 0 HE2 TYR A 76 6.148 2.733 -7.827 1.00 0.59 H new ATOM 0 HH TYR A 76 7.362 2.887 -9.665 1.00 0.79 H new ATOM 757 N GLY A 77 5.558 8.629 -5.138 1.00 0.48 N ATOM 758 CA GLY A 77 6.786 9.404 -5.170 1.00 0.50 C ATOM 759 C GLY A 77 7.640 9.171 -3.939 1.00 0.52 C ATOM 760 O GLY A 77 8.848 8.978 -4.043 1.00 0.60 O ATOM 0 H GLY A 77 4.702 9.183 -5.177 1.00 0.48 H new ATOM 0 HA2 GLY A 77 7.356 9.142 -6.061 1.00 0.50 H new ATOM 0 HA3 GLY A 77 6.543 10.464 -5.247 1.00 0.50 H new ATOM 764 N LYS A 78 7.003 9.172 -2.772 1.00 0.53 N ATOM 765 CA LYS A 78 7.707 8.941 -1.514 1.00 0.60 C ATOM 766 C LYS A 78 8.083 7.474 -1.360 1.00 0.59 C ATOM 767 O LYS A 78 9.112 7.143 -0.768 1.00 0.66 O ATOM 768 CB LYS A 78 6.851 9.399 -0.332 1.00 0.69 C ATOM 769 CG LYS A 78 6.653 10.903 -0.286 1.00 0.77 C ATOM 770 CD LYS A 78 7.983 11.621 -0.123 1.00 1.17 C ATOM 771 CE LYS A 78 7.841 13.121 -0.301 1.00 1.41 C ATOM 772 NZ LYS A 78 9.151 13.812 -0.177 1.00 2.09 N ATOM 0 H LYS A 78 6.000 9.330 -2.671 1.00 0.53 H new ATOM 0 HA LYS A 78 8.626 9.526 -1.528 1.00 0.60 H new ATOM 0 HB2 LYS A 78 5.877 8.912 -0.386 1.00 0.69 H new ATOM 0 HB3 LYS A 78 7.320 9.072 0.596 1.00 0.69 H new ATOM 0 HG2 LYS A 78 6.164 11.238 -1.201 1.00 0.77 H new ATOM 0 HG3 LYS A 78 5.992 11.162 0.541 1.00 0.77 H new ATOM 0 HD2 LYS A 78 8.391 11.410 0.865 1.00 1.17 H new ATOM 0 HD3 LYS A 78 8.696 11.235 -0.851 1.00 1.17 H new ATOM 0 HE2 LYS A 78 7.408 13.333 -1.279 1.00 1.41 H new ATOM 0 HE3 LYS A 78 7.150 13.513 0.445 1.00 1.41 H new ATOM 0 HZ1 LYS A 78 9.008 14.840 -0.236 1.00 2.09 H new ATOM 0 HZ2 LYS A 78 9.583 13.575 0.739 1.00 2.09 H new ATOM 0 HZ3 LYS A 78 9.780 13.505 -0.947 1.00 2.09 H new ATOM 786 N PHE A 79 7.249 6.601 -1.900 1.00 0.52 N ATOM 787 CA PHE A 79 7.535 5.176 -1.916 1.00 0.50 C ATOM 788 C PHE A 79 8.829 4.905 -2.677 1.00 0.51 C ATOM 789 O PHE A 79 9.682 4.140 -2.234 1.00 0.56 O ATOM 790 CB PHE A 79 6.367 4.422 -2.555 1.00 0.48 C ATOM 791 CG PHE A 79 6.603 2.949 -2.690 1.00 0.51 C ATOM 792 CD1 PHE A 79 6.527 2.119 -1.582 1.00 0.62 C ATOM 793 CD2 PHE A 79 6.892 2.393 -3.924 1.00 0.53 C ATOM 794 CE1 PHE A 79 6.734 0.762 -1.704 1.00 0.67 C ATOM 795 CE2 PHE A 79 7.101 1.036 -4.051 1.00 0.61 C ATOM 796 CZ PHE A 79 7.058 0.225 -2.943 1.00 0.65 C ATOM 0 H PHE A 79 6.363 6.856 -2.336 1.00 0.52 H new ATOM 0 HA PHE A 79 7.662 4.825 -0.892 1.00 0.50 H new ATOM 0 HB2 PHE A 79 5.471 4.584 -1.956 1.00 0.48 H new ATOM 0 HB3 PHE A 79 6.172 4.842 -3.542 1.00 0.48 H new ATOM 0 HD1 PHE A 79 6.303 2.540 -0.613 1.00 0.62 H new ATOM 0 HD2 PHE A 79 6.954 3.028 -4.795 1.00 0.53 H new ATOM 0 HE1 PHE A 79 6.645 0.120 -0.841 1.00 0.67 H new ATOM 0 HE2 PHE A 79 7.299 0.610 -5.023 1.00 0.61 H new ATOM 0 HZ PHE A 79 7.276 -0.829 -3.035 1.00 0.65 H new ATOM 806 N LYS A 80 8.983 5.571 -3.807 1.00 0.51 N ATOM 807 CA LYS A 80 10.160 5.387 -4.650 1.00 0.58 C ATOM 808 C LYS A 80 11.329 6.188 -4.106 1.00 0.63 C ATOM 809 O LYS A 80 12.487 5.903 -4.414 1.00 0.66 O ATOM 810 CB LYS A 80 9.867 5.811 -6.090 1.00 0.64 C ATOM 811 CG LYS A 80 8.734 5.029 -6.727 1.00 0.69 C ATOM 812 CD LYS A 80 9.073 3.553 -6.888 1.00 0.72 C ATOM 813 CE LYS A 80 10.081 3.326 -8.006 1.00 0.93 C ATOM 814 NZ LYS A 80 10.221 1.884 -8.343 1.00 1.09 N ATOM 0 H LYS A 80 8.309 6.247 -4.166 1.00 0.51 H new ATOM 0 HA LYS A 80 10.419 4.328 -4.644 1.00 0.58 H new ATOM 0 HB2 LYS A 80 9.620 6.873 -6.106 1.00 0.64 H new ATOM 0 HB3 LYS A 80 10.769 5.684 -6.689 1.00 0.64 H new ATOM 0 HG2 LYS A 80 7.837 5.129 -6.116 1.00 0.69 H new ATOM 0 HG3 LYS A 80 8.504 5.456 -7.703 1.00 0.69 H new ATOM 0 HD2 LYS A 80 9.476 3.168 -5.951 1.00 0.72 H new ATOM 0 HD3 LYS A 80 8.163 2.991 -7.099 1.00 0.72 H new ATOM 0 HE2 LYS A 80 9.769 3.877 -8.893 1.00 0.93 H new ATOM 0 HE3 LYS A 80 11.050 3.725 -7.707 1.00 0.93 H new ATOM 0 HZ1 LYS A 80 11.225 1.614 -8.305 1.00 1.09 H new ATOM 0 HZ2 LYS A 80 9.683 1.314 -7.659 1.00 1.09 H new ATOM 0 HZ3 LYS A 80 9.853 1.714 -9.301 1.00 1.09 H new ATOM 828 N GLU A 81 11.015 7.176 -3.281 1.00 0.67 N ATOM 829 CA GLU A 81 12.025 8.052 -2.707 1.00 0.78 C ATOM 830 C GLU A 81 12.905 7.267 -1.744 1.00 0.67 C ATOM 831 O GLU A 81 14.118 7.468 -1.685 1.00 0.70 O ATOM 832 CB GLU A 81 11.347 9.223 -1.989 1.00 0.94 C ATOM 833 CG GLU A 81 12.283 10.362 -1.624 1.00 1.25 C ATOM 834 CD GLU A 81 11.571 11.475 -0.879 1.00 1.57 C ATOM 835 OE1 GLU A 81 10.903 12.303 -1.538 1.00 2.07 O ATOM 836 OE2 GLU A 81 11.680 11.534 0.367 1.00 2.04 O ATOM 0 H GLU A 81 10.061 7.392 -2.993 1.00 0.67 H new ATOM 0 HA GLU A 81 12.654 8.450 -3.503 1.00 0.78 H new ATOM 0 HB2 GLU A 81 10.552 9.612 -2.625 1.00 0.94 H new ATOM 0 HB3 GLU A 81 10.875 8.851 -1.080 1.00 0.94 H new ATOM 0 HG2 GLU A 81 13.096 9.978 -1.008 1.00 1.25 H new ATOM 0 HG3 GLU A 81 12.733 10.765 -2.531 1.00 1.25 H new ATOM 843 N GLY A 82 12.283 6.350 -1.010 1.00 0.62 N ATOM 844 CA GLY A 82 13.023 5.504 -0.093 1.00 0.62 C ATOM 845 C GLY A 82 13.852 4.468 -0.827 1.00 0.62 C ATOM 846 O GLY A 82 15.018 4.249 -0.499 1.00 0.72 O ATOM 0 H GLY A 82 11.278 6.178 -1.034 1.00 0.62 H new ATOM 0 HA2 GLY A 82 13.676 6.121 0.524 1.00 0.62 H new ATOM 0 HA3 GLY A 82 12.328 5.003 0.580 1.00 0.62 H new ATOM 850 N VAL A 83 13.238 3.836 -1.822 1.00 0.58 N ATOM 851 CA VAL A 83 13.914 2.848 -2.661 1.00 0.66 C ATOM 852 C VAL A 83 15.155 3.448 -3.319 1.00 0.73 C ATOM 853 O VAL A 83 16.253 2.896 -3.223 1.00 0.85 O ATOM 854 CB VAL A 83 13.106 2.407 -3.616 1.00 0.68 C ATOM 855 CG1 VAL A 83 13.760 1.271 -4.398 1.00 0.83 C ATOM 856 CG2 VAL A 83 11.767 1.965 -3.051 1.00 0.65 C ATOM 0 H VAL A 83 12.261 3.992 -2.070 1.00 0.58 H new ATOM 0 HA VAL A 83 14.205 2.021 -2.013 1.00 0.66 H new ATOM 0 HB VAL A 83 12.922 3.236 -4.300 1.00 0.68 H new ATOM 0 HG11 VAL A 83 13.079 0.925 -5.176 1.00 0.83 H new ATOM 0 HG12 VAL A 83 14.682 1.628 -4.856 1.00 0.83 H new ATOM 0 HG13 VAL A 83 13.986 0.447 -3.722 1.00 0.83 H new ATOM 0 HG21 VAL A 83 11.130 1.610 -3.861 1.00 0.65 H new ATOM 0 HG22 VAL A 83 11.923 1.160 -2.332 1.00 0.65 H new ATOM 0 HG23 VAL A 83 11.286 2.807 -2.554 1.00 0.65 H new ATOM 866 N ALA A 84 14.978 4.605 -3.949 1.00 0.70 N ATOM 867 CA ALA A 84 16.046 5.254 -4.699 1.00 0.81 C ATOM 868 C ALA A 84 17.168 5.755 -3.791 1.00 0.92 C ATOM 869 O ALA A 84 18.238 6.135 -4.268 1.00 1.14 O ATOM 870 CB ALA A 84 15.476 6.403 -5.508 1.00 0.85 C ATOM 0 H ALA A 84 14.095 5.116 -3.954 1.00 0.70 H new ATOM 0 HA ALA A 84 16.481 4.510 -5.367 1.00 0.81 H new ATOM 0 HB1 ALA A 84 16.277 6.886 -6.068 1.00 0.85 H new ATOM 0 HB2 ALA A 84 14.726 6.023 -6.202 1.00 0.85 H new ATOM 0 HB3 ALA A 84 15.014 7.127 -4.837 1.00 0.85 H new ATOM 876 N SER A 85 16.920 5.769 -2.492 1.00 0.92 N ATOM 877 CA SER A 85 17.926 6.207 -1.539 1.00 1.12 C ATOM 878 C SER A 85 18.593 5.007 -0.873 1.00 1.16 C ATOM 879 O SER A 85 19.714 4.636 -1.223 1.00 1.40 O ATOM 880 CB SER A 85 17.299 7.123 -0.489 1.00 1.38 C ATOM 881 OG SER A 85 16.607 8.197 -1.101 1.00 1.82 O ATOM 0 H SER A 85 16.034 5.483 -2.074 1.00 0.92 H new ATOM 0 HA SER A 85 18.690 6.768 -2.077 1.00 1.12 H new ATOM 0 HB2 SER A 85 16.612 6.551 0.134 1.00 1.38 H new ATOM 0 HB3 SER A 85 18.076 7.514 0.169 1.00 1.38 H new ATOM 0 HG SER A 85 15.641 8.065 -0.998 1.00 1.82 H new ATOM 887 N GLY A 86 17.898 4.401 0.077 1.00 1.12 N ATOM 888 CA GLY A 86 18.447 3.263 0.784 1.00 1.47 C ATOM 889 C GLY A 86 17.400 2.535 1.597 1.00 1.35 C ATOM 890 O GLY A 86 17.103 1.366 1.348 1.00 1.65 O ATOM 0 H GLY A 86 16.961 4.678 0.372 1.00 1.12 H new ATOM 0 HA2 GLY A 86 18.893 2.573 0.067 1.00 1.47 H new ATOM 0 HA3 GLY A 86 19.247 3.599 1.443 1.00 1.47 H new ATOM 894 N ASN A 87 16.830 3.238 2.564 1.00 1.30 N ATOM 895 CA ASN A 87 15.870 2.648 3.484 1.00 1.28 C ATOM 896 C ASN A 87 14.519 3.335 3.359 1.00 0.81 C ATOM 897 O ASN A 87 14.440 4.562 3.290 1.00 1.19 O ATOM 898 CB ASN A 87 16.359 2.762 4.931 1.00 1.94 C ATOM 899 CG ASN A 87 17.689 2.075 5.164 1.00 2.79 C ATOM 900 OD1 ASN A 87 17.738 0.885 5.469 1.00 3.50 O ATOM 901 ND2 ASN A 87 18.777 2.820 5.030 1.00 3.16 N ATOM 0 H ASN A 87 17.018 4.226 2.732 1.00 1.30 H new ATOM 0 HA ASN A 87 15.767 1.595 3.224 1.00 1.28 H new ATOM 0 HB2 ASN A 87 16.450 3.815 5.196 1.00 1.94 H new ATOM 0 HB3 ASN A 87 15.612 2.329 5.596 1.00 1.94 H new ATOM 0 HD21 ASN A 87 19.698 2.409 5.181 1.00 3.16 H new ATOM 0 HD22 ASN A 87 18.693 3.804 4.776 1.00 3.16 H new ATOM 908 N LEU A 88 13.462 2.543 3.340 1.00 0.61 N ATOM 909 CA LEU A 88 12.111 3.068 3.249 1.00 0.75 C ATOM 910 C LEU A 88 11.419 2.980 4.602 1.00 0.56 C ATOM 911 O LEU A 88 11.345 1.902 5.174 1.00 1.00 O ATOM 912 CB LEU A 88 11.306 2.272 2.223 1.00 1.61 C ATOM 913 CG LEU A 88 10.727 3.082 1.063 1.00 2.22 C ATOM 914 CD1 LEU A 88 9.887 2.188 0.170 1.00 2.96 C ATOM 915 CD2 LEU A 88 9.900 4.252 1.579 1.00 2.90 C ATOM 0 H LEU A 88 13.514 1.525 3.387 1.00 0.61 H new ATOM 0 HA LEU A 88 12.168 4.111 2.938 1.00 0.75 H new ATOM 0 HB2 LEU A 88 11.946 1.491 1.813 1.00 1.61 H new ATOM 0 HB3 LEU A 88 10.486 1.774 2.739 1.00 1.61 H new ATOM 0 HG LEU A 88 11.553 3.486 0.477 1.00 2.22 H new ATOM 0 HD11 LEU A 88 9.480 2.775 -0.653 1.00 2.96 H new ATOM 0 HD12 LEU A 88 10.508 1.386 -0.229 1.00 2.96 H new ATOM 0 HD13 LEU A 88 9.069 1.760 0.750 1.00 2.96 H new ATOM 0 HD21 LEU A 88 9.498 4.814 0.736 1.00 2.90 H new ATOM 0 HD22 LEU A 88 9.078 3.876 2.189 1.00 2.90 H new ATOM 0 HD23 LEU A 88 10.530 4.905 2.183 1.00 2.90 H new ATOM 927 N ASN A 89 10.946 4.113 5.114 1.00 0.54 N ATOM 928 CA ASN A 89 10.137 4.137 6.335 1.00 0.47 C ATOM 929 C ASN A 89 9.663 5.542 6.624 1.00 0.59 C ATOM 930 O ASN A 89 10.457 6.454 6.853 1.00 0.97 O ATOM 931 CB ASN A 89 10.908 3.559 7.530 1.00 0.50 C ATOM 932 CG ASN A 89 10.112 3.509 8.832 1.00 1.31 C ATOM 933 OD1 ASN A 89 9.313 4.391 9.145 1.00 2.24 O ATOM 934 ND2 ASN A 89 10.319 2.449 9.600 1.00 1.82 N ATOM 0 H ASN A 89 11.109 5.032 4.702 1.00 0.54 H new ATOM 0 HA ASN A 89 9.264 3.504 6.174 1.00 0.47 H new ATOM 0 HB2 ASN A 89 11.237 2.550 7.281 1.00 0.50 H new ATOM 0 HB3 ASN A 89 11.806 4.156 7.690 1.00 0.50 H new ATOM 0 HD21 ASN A 89 9.809 2.348 10.478 1.00 1.82 H new ATOM 0 HD22 ASN A 89 10.988 1.734 9.313 1.00 1.82 H new ATOM 941 N THR A 90 8.357 5.701 6.586 1.00 0.51 N ATOM 942 CA THR A 90 7.723 6.968 6.862 1.00 0.61 C ATOM 943 C THR A 90 6.232 6.741 7.077 1.00 0.53 C ATOM 944 O THR A 90 5.721 5.661 6.783 1.00 0.51 O ATOM 945 CB THR A 90 7.933 7.851 5.886 1.00 0.75 C ATOM 946 OG1 THR A 90 7.495 9.161 6.292 1.00 1.63 O ATOM 947 CG2 THR A 90 7.239 7.454 4.586 1.00 1.39 C ATOM 0 H THR A 90 7.704 4.950 6.362 1.00 0.51 H new ATOM 0 HA THR A 90 8.164 7.389 7.766 1.00 0.61 H new ATOM 0 HB THR A 90 9.006 7.866 5.696 1.00 0.75 H new ATOM 0 HG1 THR A 90 7.657 9.800 5.566 1.00 1.63 H new ATOM 0 HG21 THR A 90 7.440 8.205 3.822 1.00 1.39 H new ATOM 0 HG22 THR A 90 7.616 6.487 4.253 1.00 1.39 H new ATOM 0 HG23 THR A 90 6.164 7.386 4.753 1.00 1.39 H new ATOM 955 N MET A 91 5.557 7.725 7.629 1.00 0.55 N ATOM 956 CA MET A 91 4.122 7.640 7.848 1.00 0.51 C ATOM 957 C MET A 91 3.452 8.969 7.539 1.00 0.57 C ATOM 958 O MET A 91 3.612 9.950 8.264 1.00 0.75 O ATOM 959 CB MET A 91 3.807 7.194 9.282 1.00 0.60 C ATOM 960 CG MET A 91 4.459 8.042 10.363 1.00 1.14 C ATOM 961 SD MET A 91 4.041 7.480 12.025 1.00 1.61 S ATOM 962 CE MET A 91 2.268 7.736 12.030 1.00 1.77 C ATOM 0 H MET A 91 5.979 8.601 7.938 1.00 0.55 H new ATOM 0 HA MET A 91 3.723 6.888 7.168 1.00 0.51 H new ATOM 0 HB2 MET A 91 2.727 7.212 9.426 1.00 0.60 H new ATOM 0 HB3 MET A 91 4.128 6.160 9.406 1.00 0.60 H new ATOM 0 HG2 MET A 91 5.541 8.018 10.236 1.00 1.14 H new ATOM 0 HG3 MET A 91 4.147 9.080 10.244 1.00 1.14 H new ATOM 0 HE1 MET A 91 1.900 7.711 13.056 1.00 1.77 H new ATOM 0 HE2 MET A 91 2.039 8.705 11.586 1.00 1.77 H new ATOM 0 HE3 MET A 91 1.785 6.949 11.451 1.00 1.77 H new ATOM 972 N PHE A 92 2.718 9.000 6.444 1.00 0.49 N ATOM 973 CA PHE A 92 2.023 10.206 6.025 1.00 0.55 C ATOM 974 C PHE A 92 0.527 9.948 5.910 1.00 0.48 C ATOM 975 O PHE A 92 0.086 8.796 5.923 1.00 0.47 O ATOM 976 CB PHE A 92 2.589 10.733 4.698 1.00 0.72 C ATOM 977 CG PHE A 92 2.625 9.717 3.585 1.00 1.04 C ATOM 978 CD1 PHE A 92 1.509 9.497 2.792 1.00 1.25 C ATOM 979 CD2 PHE A 92 3.771 8.978 3.338 1.00 1.83 C ATOM 980 CE1 PHE A 92 1.537 8.561 1.775 1.00 2.19 C ATOM 981 CE2 PHE A 92 3.806 8.043 2.324 1.00 2.86 C ATOM 982 CZ PHE A 92 2.695 7.854 1.523 1.00 3.01 C ATOM 0 H PHE A 92 2.586 8.201 5.824 1.00 0.49 H new ATOM 0 HA PHE A 92 2.182 10.971 6.785 1.00 0.55 H new ATOM 0 HB2 PHE A 92 1.991 11.585 4.376 1.00 0.72 H new ATOM 0 HB3 PHE A 92 3.601 11.101 4.870 1.00 0.72 H new ATOM 0 HD1 PHE A 92 0.607 10.064 2.971 1.00 1.25 H new ATOM 0 HD2 PHE A 92 4.649 9.136 3.947 1.00 1.83 H new ATOM 0 HE1 PHE A 92 0.654 8.383 1.179 1.00 2.19 H new ATOM 0 HE2 PHE A 92 4.699 7.460 2.156 1.00 2.86 H new ATOM 0 HZ PHE A 92 2.733 7.154 0.701 1.00 3.01 H new ATOM 992 N GLU A 93 -0.247 11.017 5.806 1.00 0.48 N ATOM 993 CA GLU A 93 -1.691 10.907 5.698 1.00 0.47 C ATOM 994 C GLU A 93 -2.110 11.123 4.251 1.00 0.45 C ATOM 995 O GLU A 93 -1.833 12.167 3.657 1.00 0.53 O ATOM 996 CB GLU A 93 -2.368 11.930 6.612 1.00 0.58 C ATOM 997 CG GLU A 93 -3.880 11.795 6.685 1.00 1.30 C ATOM 998 CD GLU A 93 -4.515 12.887 7.518 1.00 1.73 C ATOM 999 OE1 GLU A 93 -4.596 12.731 8.755 1.00 2.39 O ATOM 1000 OE2 GLU A 93 -4.930 13.912 6.941 1.00 2.04 O ATOM 0 H GLU A 93 0.104 11.975 5.794 1.00 0.48 H new ATOM 0 HA GLU A 93 -2.002 9.910 6.012 1.00 0.47 H new ATOM 0 HB2 GLU A 93 -1.957 11.831 7.617 1.00 0.58 H new ATOM 0 HB3 GLU A 93 -2.120 12.932 6.263 1.00 0.58 H new ATOM 0 HG2 GLU A 93 -4.294 11.823 5.677 1.00 1.30 H new ATOM 0 HG3 GLU A 93 -4.136 10.823 7.108 1.00 1.30 H new ATOM 1007 N TYR A 94 -2.775 10.127 3.694 1.00 0.44 N ATOM 1008 CA TYR A 94 -3.108 10.105 2.281 1.00 0.51 C ATOM 1009 C TYR A 94 -4.568 9.694 2.109 1.00 0.42 C ATOM 1010 O TYR A 94 -5.193 9.209 3.051 1.00 0.40 O ATOM 1011 CB TYR A 94 -2.152 9.125 1.572 1.00 0.69 C ATOM 1012 CG TYR A 94 -2.339 8.984 0.074 1.00 1.24 C ATOM 1013 CD1 TYR A 94 -2.580 7.749 -0.516 1.00 2.16 C ATOM 1014 CD2 TYR A 94 -2.294 10.103 -0.748 1.00 1.19 C ATOM 1015 CE1 TYR A 94 -2.763 7.635 -1.884 1.00 2.86 C ATOM 1016 CE2 TYR A 94 -2.476 9.996 -2.114 1.00 1.83 C ATOM 1017 CZ TYR A 94 -2.656 8.690 -2.677 1.00 2.64 C ATOM 1018 OH TYR A 94 -2.889 8.656 -4.039 1.00 3.37 O ATOM 0 H TYR A 94 -3.100 9.309 4.210 1.00 0.44 H new ATOM 0 HA TYR A 94 -2.989 11.093 1.836 1.00 0.51 H new ATOM 0 HB2 TYR A 94 -1.128 9.446 1.762 1.00 0.69 H new ATOM 0 HB3 TYR A 94 -2.268 8.141 2.027 1.00 0.69 H new ATOM 0 HD1 TYR A 94 -2.625 6.864 0.102 1.00 2.16 H new ATOM 0 HD2 TYR A 94 -2.114 11.074 -0.312 1.00 1.19 H new ATOM 0 HE1 TYR A 94 -2.997 6.671 -2.311 1.00 2.86 H new ATOM 0 HE2 TYR A 94 -2.482 10.875 -2.742 1.00 1.83 H new ATOM 0 HH TYR A 94 -2.205 8.106 -4.474 1.00 3.37 H new ATOM 1028 N THR A 95 -5.120 9.911 0.929 1.00 0.46 N ATOM 1029 CA THR A 95 -6.476 9.489 0.643 1.00 0.46 C ATOM 1030 C THR A 95 -6.453 8.246 -0.237 1.00 0.47 C ATOM 1031 O THR A 95 -5.528 8.068 -1.023 1.00 0.60 O ATOM 1032 CB THR A 95 -7.167 10.453 0.070 1.00 0.59 C ATOM 1033 OG1 THR A 95 -6.362 11.114 -0.920 1.00 1.40 O ATOM 1034 CG2 THR A 95 -7.655 11.465 1.096 1.00 1.09 C ATOM 0 H THR A 95 -4.649 10.377 0.154 1.00 0.46 H new ATOM 0 HA THR A 95 -6.969 9.250 1.585 1.00 0.46 H new ATOM 0 HB THR A 95 -8.038 10.005 -0.409 1.00 0.59 H new ATOM 0 HG1 THR A 95 -6.884 11.828 -1.342 1.00 1.40 H new ATOM 0 HG21 THR A 95 -8.222 12.248 0.593 1.00 1.09 H new ATOM 0 HG22 THR A 95 -8.294 10.965 1.824 1.00 1.09 H new ATOM 0 HG23 THR A 95 -6.799 11.907 1.606 1.00 1.09 H new ATOM 1042 N PHE A 96 -7.423 7.357 -0.079 1.00 0.43 N ATOM 1043 CA PHE A 96 -7.333 6.054 -0.720 1.00 0.53 C ATOM 1044 C PHE A 96 -8.659 5.597 -1.289 1.00 0.62 C ATOM 1045 O PHE A 96 -9.547 5.171 -0.549 1.00 0.78 O ATOM 1046 CB PHE A 96 -6.818 5.005 0.270 1.00 0.69 C ATOM 1047 CG PHE A 96 -5.455 4.469 -0.068 1.00 0.74 C ATOM 1048 CD1 PHE A 96 -4.931 4.627 -1.340 1.00 0.69 C ATOM 1049 CD2 PHE A 96 -4.694 3.811 0.887 1.00 1.03 C ATOM 1050 CE1 PHE A 96 -3.677 4.141 -1.654 1.00 0.82 C ATOM 1051 CE2 PHE A 96 -3.441 3.322 0.578 1.00 1.18 C ATOM 1052 CZ PHE A 96 -2.940 3.466 -0.691 1.00 1.03 C ATOM 0 H PHE A 96 -8.265 7.509 0.476 1.00 0.43 H new ATOM 0 HA PHE A 96 -6.632 6.160 -1.548 1.00 0.53 H new ATOM 0 HB2 PHE A 96 -6.788 5.444 1.267 1.00 0.69 H new ATOM 0 HB3 PHE A 96 -7.525 4.176 0.307 1.00 0.69 H new ATOM 0 HD1 PHE A 96 -5.510 5.137 -2.096 1.00 0.69 H new ATOM 0 HD2 PHE A 96 -5.087 3.680 1.884 1.00 1.03 H new ATOM 0 HE1 PHE A 96 -3.272 4.286 -2.645 1.00 0.82 H new ATOM 0 HE2 PHE A 96 -2.854 2.825 1.336 1.00 1.18 H new ATOM 0 HZ PHE A 96 -1.973 3.055 -0.940 1.00 1.03 H new ATOM 1062 N ASP A 97 -8.770 5.713 -2.605 1.00 0.66 N ATOM 1063 CA ASP A 97 -9.834 5.095 -3.385 1.00 0.88 C ATOM 1064 C ASP A 97 -9.779 5.628 -4.801 1.00 0.95 C ATOM 1065 O ASP A 97 -9.445 6.791 -5.025 1.00 1.74 O ATOM 1066 CB ASP A 97 -11.228 5.333 -2.811 1.00 1.17 C ATOM 1067 CG ASP A 97 -12.223 4.309 -3.329 1.00 1.83 C ATOM 1068 OD1 ASP A 97 -12.604 4.391 -4.519 1.00 2.18 O ATOM 1069 OD2 ASP A 97 -12.638 3.425 -2.545 1.00 2.57 O ATOM 0 H ASP A 97 -8.112 6.249 -3.171 1.00 0.66 H new ATOM 0 HA ASP A 97 -9.665 4.019 -3.358 1.00 0.88 H new ATOM 0 HB2 ASP A 97 -11.188 5.285 -1.723 1.00 1.17 H new ATOM 0 HB3 ASP A 97 -11.565 6.336 -3.074 1.00 1.17 H new ATOM 1074 N TYR A 98 -10.096 4.769 -5.744 1.00 1.21 N ATOM 1075 CA TYR A 98 -10.028 5.104 -7.155 1.00 1.30 C ATOM 1076 C TYR A 98 -11.140 6.062 -7.557 1.00 1.26 C ATOM 1077 O TYR A 98 -10.900 7.019 -8.293 1.00 2.02 O ATOM 1078 CB TYR A 98 -10.083 3.826 -8.007 1.00 1.57 C ATOM 1079 CG TYR A 98 -10.905 2.712 -7.393 1.00 1.79 C ATOM 1080 CD1 TYR A 98 -10.352 1.826 -6.477 1.00 1.70 C ATOM 1081 CD2 TYR A 98 -12.238 2.540 -7.748 1.00 2.36 C ATOM 1082 CE1 TYR A 98 -11.104 0.799 -5.937 1.00 2.13 C ATOM 1083 CE2 TYR A 98 -12.995 1.520 -7.210 1.00 2.79 C ATOM 1084 CZ TYR A 98 -12.404 0.683 -6.225 1.00 2.67 C ATOM 1085 OH TYR A 98 -13.178 -0.375 -5.781 1.00 3.21 O ATOM 0 H TYR A 98 -10.409 3.816 -5.557 1.00 1.21 H new ATOM 0 HA TYR A 98 -9.079 5.609 -7.334 1.00 1.30 H new ATOM 0 HB2 TYR A 98 -10.496 4.071 -8.986 1.00 1.57 H new ATOM 0 HB3 TYR A 98 -9.067 3.466 -8.171 1.00 1.57 H new ATOM 0 HD1 TYR A 98 -9.319 1.941 -6.182 1.00 1.70 H new ATOM 0 HD2 TYR A 98 -12.689 3.217 -8.458 1.00 2.36 H new ATOM 0 HE1 TYR A 98 -10.637 0.084 -5.276 1.00 2.13 H new ATOM 0 HE2 TYR A 98 -14.014 1.361 -7.530 1.00 2.79 H new ATOM 0 HH TYR A 98 -14.097 -0.266 -6.103 1.00 3.21 H new ATOM 1095 N GLN A 99 -12.347 5.818 -7.069 1.00 1.11 N ATOM 1096 CA GLN A 99 -13.501 6.567 -7.544 1.00 1.70 C ATOM 1097 C GLN A 99 -14.443 7.001 -6.412 1.00 1.80 C ATOM 1098 O GLN A 99 -15.399 7.742 -6.653 1.00 2.28 O ATOM 1099 CB GLN A 99 -14.246 5.730 -8.585 1.00 2.11 C ATOM 1100 CG GLN A 99 -13.412 5.436 -9.826 1.00 2.28 C ATOM 1101 CD GLN A 99 -14.089 4.455 -10.763 1.00 2.65 C ATOM 1102 OE1 GLN A 99 -13.786 3.176 -10.594 1.00 3.23 O flip ATOM 1103 NE2 GLN A 99 -14.868 4.842 -11.634 1.00 2.81 N flip ATOM 0 H GLN A 99 -12.552 5.119 -6.355 1.00 1.11 H new ATOM 0 HA GLN A 99 -13.137 7.489 -7.997 1.00 1.70 H new ATOM 0 HB2 GLN A 99 -14.555 4.788 -8.131 1.00 2.11 H new ATOM 0 HB3 GLN A 99 -15.154 6.255 -8.881 1.00 2.11 H new ATOM 0 HG2 GLN A 99 -13.219 6.367 -10.358 1.00 2.28 H new ATOM 0 HG3 GLN A 99 -12.445 5.035 -9.523 1.00 2.28 H new ATOM 0 HE21 GLN A 99 -15.073 5.837 -11.729 1.00 2.81 H new ATOM 0 HE22 GLN A 99 -15.308 4.168 -12.260 1.00 2.81 H new ATOM 1112 N MET A 100 -14.176 6.555 -5.188 1.00 1.50 N ATOM 1113 CA MET A 100 -14.942 7.007 -4.026 1.00 1.55 C ATOM 1114 C MET A 100 -14.482 8.399 -3.637 1.00 1.40 C ATOM 1115 O MET A 100 -13.398 8.819 -4.038 1.00 1.30 O ATOM 1116 CB MET A 100 -14.734 6.056 -2.840 1.00 1.54 C ATOM 1117 CG MET A 100 -15.647 6.313 -1.653 1.00 1.64 C ATOM 1118 SD MET A 100 -17.390 6.092 -2.055 1.00 2.37 S ATOM 1119 CE MET A 100 -17.402 4.378 -2.583 1.00 2.85 C ATOM 0 H MET A 100 -13.439 5.884 -4.973 1.00 1.50 H new ATOM 0 HA MET A 100 -16.001 7.019 -4.285 1.00 1.55 H new ATOM 0 HB2 MET A 100 -14.885 5.032 -3.182 1.00 1.54 H new ATOM 0 HB3 MET A 100 -13.699 6.132 -2.508 1.00 1.54 H new ATOM 0 HG2 MET A 100 -15.378 5.639 -0.840 1.00 1.64 H new ATOM 0 HG3 MET A 100 -15.488 7.329 -1.291 1.00 1.64 H new ATOM 0 HE1 MET A 100 -18.420 3.991 -2.541 1.00 2.85 H new ATOM 0 HE2 MET A 100 -17.030 4.310 -3.605 1.00 2.85 H new ATOM 0 HE3 MET A 100 -16.763 3.790 -1.924 1.00 2.85 H new ATOM 1129 N THR A 101 -15.310 9.116 -2.883 1.00 1.46 N ATOM 1130 CA THR A 101 -14.881 10.343 -2.239 1.00 1.40 C ATOM 1131 C THR A 101 -13.708 10.023 -1.322 1.00 1.14 C ATOM 1132 O THR A 101 -13.903 9.546 -0.199 1.00 1.13 O ATOM 1133 CB THR A 101 -15.871 10.876 -1.549 1.00 1.54 C ATOM 1134 OG1 THR A 101 -16.725 9.836 -1.036 1.00 2.12 O ATOM 1135 CG2 THR A 101 -16.679 11.842 -2.403 1.00 2.05 C ATOM 0 H THR A 101 -16.282 8.864 -2.706 1.00 1.46 H new ATOM 0 HA THR A 101 -14.575 11.066 -2.995 1.00 1.40 H new ATOM 0 HB THR A 101 -15.444 11.437 -0.718 1.00 1.54 H new ATOM 0 HG1 THR A 101 -16.195 9.214 -0.495 1.00 2.12 H new ATOM 0 HG21 THR A 101 -17.488 12.265 -1.807 1.00 2.05 H new ATOM 0 HG22 THR A 101 -16.031 12.644 -2.757 1.00 2.05 H new ATOM 0 HG23 THR A 101 -17.098 11.310 -3.257 1.00 2.05 H new ATOM 1143 N PRO A 102 -12.483 10.324 -1.797 1.00 1.13 N ATOM 1144 CA PRO A 102 -11.234 9.770 -1.274 1.00 1.00 C ATOM 1145 C PRO A 102 -11.202 9.639 0.240 1.00 0.92 C ATOM 1146 O PRO A 102 -10.999 10.620 0.956 1.00 1.15 O ATOM 1147 CB PRO A 102 -10.156 10.751 -1.754 1.00 1.32 C ATOM 1148 CG PRO A 102 -10.869 11.821 -2.518 1.00 1.47 C ATOM 1149 CD PRO A 102 -12.217 11.274 -2.878 1.00 1.44 C ATOM 0 HA PRO A 102 -11.091 8.750 -1.631 1.00 1.00 H new ATOM 0 HB2 PRO A 102 -9.612 11.174 -0.909 1.00 1.32 H new ATOM 0 HB3 PRO A 102 -9.424 10.246 -2.384 1.00 1.32 H new ATOM 0 HG2 PRO A 102 -10.967 12.725 -1.917 1.00 1.47 H new ATOM 0 HG3 PRO A 102 -10.311 12.093 -3.414 1.00 1.47 H new ATOM 0 HD2 PRO A 102 -12.973 12.058 -2.922 1.00 1.44 H new ATOM 0 HD3 PRO A 102 -12.208 10.785 -3.852 1.00 1.44 H new ATOM 1157 N THR A 103 -11.446 8.421 0.711 1.00 0.73 N ATOM 1158 CA THR A 103 -11.349 8.104 2.128 1.00 0.70 C ATOM 1159 C THR A 103 -9.954 8.454 2.656 1.00 0.58 C ATOM 1160 O THR A 103 -8.995 8.489 1.887 1.00 0.54 O ATOM 1161 CB THR A 103 -11.595 6.820 2.329 1.00 0.81 C ATOM 1162 OG1 THR A 103 -12.600 6.376 1.398 1.00 1.34 O ATOM 1163 CG2 THR A 103 -12.070 6.552 3.752 1.00 1.40 C ATOM 0 H THR A 103 -11.715 7.631 0.124 1.00 0.73 H new ATOM 0 HA THR A 103 -12.090 8.695 2.666 1.00 0.70 H new ATOM 0 HB THR A 103 -10.666 6.271 2.176 1.00 0.81 H new ATOM 0 HG1 THR A 103 -12.783 5.424 1.543 1.00 1.34 H new ATOM 0 HG21 THR A 103 -12.261 5.486 3.877 1.00 1.40 H new ATOM 0 HG22 THR A 103 -11.302 6.868 4.458 1.00 1.40 H new ATOM 0 HG23 THR A 103 -12.987 7.110 3.941 1.00 1.40 H new ATOM 1171 N LYS A 104 -9.840 8.747 3.948 1.00 0.60 N ATOM 1172 CA LYS A 104 -8.568 9.181 4.512 1.00 0.59 C ATOM 1173 C LYS A 104 -7.901 8.053 5.278 1.00 0.58 C ATOM 1174 O LYS A 104 -8.549 7.319 6.029 1.00 0.75 O ATOM 1175 CB LYS A 104 -8.761 10.393 5.427 1.00 0.75 C ATOM 1176 CG LYS A 104 -9.213 11.647 4.697 1.00 1.45 C ATOM 1177 CD LYS A 104 -9.240 12.846 5.625 1.00 1.90 C ATOM 1178 CE LYS A 104 -9.681 14.110 4.903 1.00 2.46 C ATOM 1179 NZ LYS A 104 -11.117 14.070 4.518 1.00 3.08 N ATOM 0 H LYS A 104 -10.607 8.692 4.619 1.00 0.60 H new ATOM 0 HA LYS A 104 -7.921 9.469 3.684 1.00 0.59 H new ATOM 0 HB2 LYS A 104 -9.496 10.145 6.193 1.00 0.75 H new ATOM 0 HB3 LYS A 104 -7.823 10.601 5.941 1.00 0.75 H new ATOM 0 HG2 LYS A 104 -8.541 11.846 3.862 1.00 1.45 H new ATOM 0 HG3 LYS A 104 -10.206 11.488 4.277 1.00 1.45 H new ATOM 0 HD2 LYS A 104 -9.917 12.647 6.456 1.00 1.90 H new ATOM 0 HD3 LYS A 104 -8.248 12.998 6.051 1.00 1.90 H new ATOM 0 HE2 LYS A 104 -9.503 14.973 5.545 1.00 2.46 H new ATOM 0 HE3 LYS A 104 -9.072 14.247 4.010 1.00 2.46 H new ATOM 0 HZ1 LYS A 104 -11.396 14.990 4.121 1.00 3.08 H new ATOM 0 HZ2 LYS A 104 -11.265 13.327 3.806 1.00 3.08 H new ATOM 0 HZ3 LYS A 104 -11.696 13.865 5.357 1.00 3.08 H new ATOM 1193 N VAL A 105 -6.603 7.917 5.070 1.00 0.45 N ATOM 1194 CA VAL A 105 -5.833 6.856 5.680 1.00 0.47 C ATOM 1195 C VAL A 105 -4.429 7.355 6.035 1.00 0.40 C ATOM 1196 O VAL A 105 -3.963 8.362 5.500 1.00 0.37 O ATOM 1197 CB VAL A 105 -5.780 5.801 4.864 1.00 0.54 C ATOM 1198 CG1 VAL A 105 -4.968 6.103 3.608 1.00 1.33 C ATOM 1199 CG2 VAL A 105 -5.269 4.551 5.554 1.00 0.94 C ATOM 0 H VAL A 105 -6.057 8.539 4.474 1.00 0.45 H new ATOM 0 HA VAL A 105 -6.321 6.546 6.604 1.00 0.47 H new ATOM 0 HB VAL A 105 -6.808 5.598 4.563 1.00 0.54 H new ATOM 0 HG11 VAL A 105 -4.947 5.221 2.968 1.00 1.33 H new ATOM 0 HG12 VAL A 105 -5.427 6.932 3.069 1.00 1.33 H new ATOM 0 HG13 VAL A 105 -3.950 6.372 3.889 1.00 1.33 H new ATOM 0 HG21 VAL A 105 -5.247 3.726 4.842 1.00 0.94 H new ATOM 0 HG22 VAL A 105 -4.263 4.730 5.933 1.00 0.94 H new ATOM 0 HG23 VAL A 105 -5.929 4.298 6.384 1.00 0.94 H new ATOM 1209 N LYS A 106 -3.803 6.704 6.993 1.00 0.43 N ATOM 1210 CA LYS A 106 -2.424 6.983 7.330 1.00 0.42 C ATOM 1211 C LYS A 106 -1.581 5.805 6.879 1.00 0.40 C ATOM 1212 O LYS A 106 -1.895 4.657 7.197 1.00 0.47 O ATOM 1213 CB LYS A 106 -2.275 7.238 8.832 1.00 0.48 C ATOM 1214 CG LYS A 106 -0.885 7.700 9.233 1.00 0.71 C ATOM 1215 CD LYS A 106 -0.911 8.452 10.553 1.00 0.83 C ATOM 1216 CE LYS A 106 -1.725 9.734 10.437 1.00 1.56 C ATOM 1217 NZ LYS A 106 -1.696 10.537 11.687 1.00 1.69 N ATOM 0 H LYS A 106 -4.233 5.971 7.557 1.00 0.43 H new ATOM 0 HA LYS A 106 -2.086 7.886 6.822 1.00 0.42 H new ATOM 0 HB2 LYS A 106 -3.002 7.990 9.139 1.00 0.48 H new ATOM 0 HB3 LYS A 106 -2.515 6.323 9.373 1.00 0.48 H new ATOM 0 HG2 LYS A 106 -0.223 6.838 9.316 1.00 0.71 H new ATOM 0 HG3 LYS A 106 -0.475 8.343 8.454 1.00 0.71 H new ATOM 0 HD2 LYS A 106 -1.337 7.816 11.329 1.00 0.83 H new ATOM 0 HD3 LYS A 106 0.107 8.691 10.859 1.00 0.83 H new ATOM 0 HE2 LYS A 106 -1.338 10.334 9.614 1.00 1.56 H new ATOM 0 HE3 LYS A 106 -2.757 9.485 10.192 1.00 1.56 H new ATOM 0 HZ1 LYS A 106 -2.264 11.399 11.559 1.00 1.69 H new ATOM 0 HZ2 LYS A 106 -2.090 9.976 12.469 1.00 1.69 H new ATOM 0 HZ3 LYS A 106 -0.714 10.799 11.909 1.00 1.69 H new ATOM 1231 N VAL A 107 -0.525 6.086 6.135 1.00 0.37 N ATOM 1232 CA VAL A 107 0.189 5.069 5.415 1.00 0.42 C ATOM 1233 C VAL A 107 1.621 5.027 5.901 1.00 0.40 C ATOM 1234 O VAL A 107 2.370 5.996 5.751 1.00 0.54 O ATOM 1235 CB VAL A 107 0.167 5.316 4.114 1.00 0.46 C ATOM 1236 CG1 VAL A 107 0.871 4.211 3.341 1.00 1.26 C ATOM 1237 CG2 VAL A 107 -1.254 5.504 3.602 1.00 1.27 C ATOM 0 H VAL A 107 -0.146 7.026 6.019 1.00 0.37 H new ATOM 0 HA VAL A 107 -0.291 4.107 5.592 1.00 0.42 H new ATOM 0 HB VAL A 107 0.704 6.250 3.951 1.00 0.46 H new ATOM 0 HG11 VAL A 107 0.840 4.436 2.275 1.00 1.26 H new ATOM 0 HG12 VAL A 107 1.909 4.143 3.667 1.00 1.26 H new ATOM 0 HG13 VAL A 107 0.369 3.261 3.526 1.00 1.26 H new ATOM 0 HG21 VAL A 107 -1.231 5.705 2.531 1.00 1.27 H new ATOM 0 HG22 VAL A 107 -1.831 4.598 3.789 1.00 1.27 H new ATOM 0 HG23 VAL A 107 -1.719 6.344 4.119 1.00 1.27 H new ATOM 1247 N HIS A 108 1.987 3.923 6.516 1.00 0.34 N ATOM 1248 CA HIS A 108 3.326 3.752 7.013 1.00 0.34 C ATOM 1249 C HIS A 108 4.098 2.813 6.108 1.00 0.32 C ATOM 1250 O HIS A 108 3.706 1.669 5.902 1.00 0.44 O ATOM 1251 CB HIS A 108 3.314 3.213 8.446 1.00 0.45 C ATOM 1252 CG HIS A 108 4.678 3.113 9.065 1.00 0.53 C ATOM 1253 ND1 HIS A 108 5.457 4.056 9.648 1.00 0.97 N flip ATOM 1254 CD2 HIS A 108 5.396 1.936 9.128 1.00 0.54 C flip ATOM 1255 CE1 HIS A 108 6.616 3.438 10.046 1.00 1.02 C flip ATOM 1256 NE2 HIS A 108 6.554 2.162 9.724 1.00 0.68 N flip ATOM 0 H HIS A 108 1.369 3.129 6.682 1.00 0.34 H new ATOM 0 HA HIS A 108 3.816 4.726 7.021 1.00 0.34 H new ATOM 0 HB2 HIS A 108 2.691 3.861 9.063 1.00 0.45 H new ATOM 0 HB3 HIS A 108 2.850 2.227 8.450 1.00 0.45 H new ATOM 0 HD2 HIS A 108 5.064 0.980 8.750 1.00 0.54 H new ATOM 0 HE1 HIS A 108 7.445 3.920 10.543 1.00 1.02 H new ATOM 0 HE2 HIS A 108 7.277 1.466 9.904 1.00 0.68 H new ATOM 1265 N MET A 109 5.201 3.305 5.602 1.00 0.30 N ATOM 1266 CA MET A 109 6.107 2.499 4.797 1.00 0.39 C ATOM 1267 C MET A 109 7.264 2.060 5.670 1.00 0.34 C ATOM 1268 O MET A 109 7.638 2.780 6.594 1.00 0.45 O ATOM 1269 CB MET A 109 6.674 3.302 3.613 1.00 0.65 C ATOM 1270 CG MET A 109 5.784 3.376 2.382 1.00 0.87 C ATOM 1271 SD MET A 109 4.320 4.388 2.637 1.00 2.22 S ATOM 1272 CE MET A 109 3.634 4.373 0.983 1.00 2.49 C ATOM 0 H MET A 109 5.502 4.271 5.731 1.00 0.30 H new ATOM 0 HA MET A 109 5.553 1.646 4.406 1.00 0.39 H new ATOM 0 HB2 MET A 109 6.880 4.317 3.952 1.00 0.65 H new ATOM 0 HB3 MET A 109 7.628 2.863 3.323 1.00 0.65 H new ATOM 0 HG2 MET A 109 6.358 3.780 1.548 1.00 0.87 H new ATOM 0 HG3 MET A 109 5.478 2.369 2.100 1.00 0.87 H new ATOM 0 HE1 MET A 109 2.845 5.121 0.910 1.00 2.49 H new ATOM 0 HE2 MET A 109 4.419 4.601 0.262 1.00 2.49 H new ATOM 0 HE3 MET A 109 3.220 3.387 0.770 1.00 2.49 H new ATOM 1282 N LYS A 110 7.804 0.879 5.410 1.00 0.32 N ATOM 1283 CA LYS A 110 8.995 0.424 6.112 1.00 0.35 C ATOM 1284 C LYS A 110 9.628 -0.721 5.344 1.00 0.32 C ATOM 1285 O LYS A 110 8.931 -1.539 4.759 1.00 0.45 O ATOM 1286 CB LYS A 110 8.675 0.007 7.550 1.00 0.50 C ATOM 1287 CG LYS A 110 7.664 -1.116 7.667 1.00 0.97 C ATOM 1288 CD LYS A 110 7.346 -1.413 9.120 1.00 0.91 C ATOM 1289 CE LYS A 110 8.577 -1.877 9.885 1.00 1.31 C ATOM 1290 NZ LYS A 110 8.260 -2.215 11.296 1.00 1.57 N ATOM 0 H LYS A 110 7.439 0.221 4.722 1.00 0.32 H new ATOM 0 HA LYS A 110 9.702 1.252 6.169 1.00 0.35 H new ATOM 0 HB2 LYS A 110 9.599 -0.300 8.040 1.00 0.50 H new ATOM 0 HB3 LYS A 110 8.300 0.875 8.092 1.00 0.50 H new ATOM 0 HG2 LYS A 110 6.750 -0.843 7.140 1.00 0.97 H new ATOM 0 HG3 LYS A 110 8.054 -2.013 7.186 1.00 0.97 H new ATOM 0 HD2 LYS A 110 6.940 -0.519 9.593 1.00 0.91 H new ATOM 0 HD3 LYS A 110 6.574 -2.181 9.173 1.00 0.91 H new ATOM 0 HE2 LYS A 110 9.004 -2.749 9.390 1.00 1.31 H new ATOM 0 HE3 LYS A 110 9.335 -1.094 9.861 1.00 1.31 H new ATOM 0 HZ1 LYS A 110 9.126 -2.526 11.781 1.00 1.57 H new ATOM 0 HZ2 LYS A 110 7.876 -1.376 11.776 1.00 1.57 H new ATOM 0 HZ3 LYS A 110 7.556 -2.980 11.320 1.00 1.57 H new ATOM 1304 N LYS A 111 10.941 -0.773 5.343 1.00 0.37 N ATOM 1305 CA LYS A 111 11.663 -1.694 4.484 1.00 0.38 C ATOM 1306 C LYS A 111 11.983 -2.988 5.215 1.00 0.43 C ATOM 1307 O LYS A 111 12.627 -2.982 6.264 1.00 0.60 O ATOM 1308 CB LYS A 111 12.954 -1.032 3.995 1.00 0.49 C ATOM 1309 CG LYS A 111 13.693 -1.818 2.928 1.00 0.56 C ATOM 1310 CD LYS A 111 15.030 -1.173 2.597 1.00 1.03 C ATOM 1311 CE LYS A 111 15.770 -1.935 1.511 1.00 1.49 C ATOM 1312 NZ LYS A 111 17.111 -1.349 1.245 1.00 2.13 N ATOM 0 H LYS A 111 11.536 -0.187 5.929 1.00 0.37 H new ATOM 0 HA LYS A 111 11.032 -1.939 3.630 1.00 0.38 H new ATOM 0 HB2 LYS A 111 12.715 -0.044 3.602 1.00 0.49 H new ATOM 0 HB3 LYS A 111 13.618 -0.885 4.847 1.00 0.49 H new ATOM 0 HG2 LYS A 111 13.854 -2.840 3.272 1.00 0.56 H new ATOM 0 HG3 LYS A 111 13.082 -1.877 2.027 1.00 0.56 H new ATOM 0 HD2 LYS A 111 14.867 -0.145 2.273 1.00 1.03 H new ATOM 0 HD3 LYS A 111 15.646 -1.131 3.495 1.00 1.03 H new ATOM 0 HE2 LYS A 111 15.881 -2.978 1.809 1.00 1.49 H new ATOM 0 HE3 LYS A 111 15.181 -1.926 0.594 1.00 1.49 H new ATOM 0 HZ1 LYS A 111 17.354 -1.480 0.242 1.00 2.13 H new ATOM 0 HZ2 LYS A 111 17.097 -0.333 1.468 1.00 2.13 H new ATOM 0 HZ3 LYS A 111 17.821 -1.824 1.838 1.00 2.13 H new ATOM 1326 N ALA A 112 11.523 -4.092 4.655 1.00 0.44 N ATOM 1327 CA ALA A 112 11.837 -5.401 5.186 1.00 0.59 C ATOM 1328 C ALA A 112 12.875 -6.068 4.299 1.00 0.92 C ATOM 1329 O ALA A 112 13.248 -5.531 3.255 1.00 1.57 O ATOM 1330 CB ALA A 112 10.584 -6.257 5.280 1.00 0.96 C ATOM 0 H ALA A 112 10.927 -4.105 3.827 1.00 0.44 H new ATOM 0 HA ALA A 112 12.242 -5.291 6.192 1.00 0.59 H new ATOM 0 HB1 ALA A 112 10.842 -7.237 5.681 1.00 0.96 H new ATOM 0 HB2 ALA A 112 9.862 -5.774 5.938 1.00 0.96 H new ATOM 0 HB3 ALA A 112 10.148 -6.375 4.288 1.00 0.96 H new ATOM 1336 N LEU A 113 13.344 -7.225 4.709 1.00 1.01 N ATOM 1337 CA LEU A 113 14.340 -7.941 3.940 1.00 1.49 C ATOM 1338 C LEU A 113 13.820 -9.317 3.564 1.00 1.26 C ATOM 1339 O LEU A 113 14.201 -9.876 2.534 1.00 2.05 O ATOM 1340 CB LEU A 113 15.636 -8.045 4.740 1.00 2.52 C ATOM 1341 CG LEU A 113 16.861 -8.508 3.953 1.00 3.38 C ATOM 1342 CD1 LEU A 113 17.197 -7.513 2.851 1.00 3.91 C ATOM 1343 CD2 LEU A 113 18.047 -8.689 4.888 1.00 4.41 C ATOM 0 H LEU A 113 13.053 -7.691 5.569 1.00 1.01 H new ATOM 0 HA LEU A 113 14.547 -7.394 3.020 1.00 1.49 H new ATOM 0 HB2 LEU A 113 15.853 -7.069 5.175 1.00 2.52 H new ATOM 0 HB3 LEU A 113 15.476 -8.735 5.569 1.00 2.52 H new ATOM 0 HG LEU A 113 16.633 -9.467 3.488 1.00 3.38 H new ATOM 0 HD11 LEU A 113 18.072 -7.860 2.302 1.00 3.91 H new ATOM 0 HD12 LEU A 113 16.351 -7.426 2.169 1.00 3.91 H new ATOM 0 HD13 LEU A 113 17.408 -6.539 3.292 1.00 3.91 H new ATOM 0 HD21 LEU A 113 18.914 -9.019 4.316 1.00 4.41 H new ATOM 0 HD22 LEU A 113 18.274 -7.741 5.376 1.00 4.41 H new ATOM 0 HD23 LEU A 113 17.804 -9.437 5.643 1.00 4.41 H new ATOM 1355 N SER A 114 12.944 -9.857 4.396 1.00 1.21 N ATOM 1356 CA SER A 114 12.273 -11.103 4.084 1.00 1.56 C ATOM 1357 C SER A 114 11.264 -10.869 2.971 1.00 1.72 C ATOM 1358 O SER A 114 10.173 -10.341 3.206 1.00 2.36 O ATOM 1359 CB SER A 114 11.576 -11.647 5.327 1.00 2.13 C ATOM 1360 OG SER A 114 12.479 -11.709 6.418 1.00 2.55 O ATOM 0 H SER A 114 12.682 -9.449 5.294 1.00 1.21 H new ATOM 0 HA SER A 114 13.007 -11.837 3.751 1.00 1.56 H new ATOM 0 HB2 SER A 114 10.730 -11.010 5.584 1.00 2.13 H new ATOM 0 HB3 SER A 114 11.177 -12.640 5.121 1.00 2.13 H new ATOM 0 HG SER A 114 12.015 -12.058 7.207 1.00 2.55 H new ATOM 1366 N GLY A 115 11.642 -11.225 1.758 1.00 1.73 N ATOM 1367 CA GLY A 115 10.782 -10.982 0.628 1.00 2.05 C ATOM 1368 C GLY A 115 11.310 -9.881 -0.264 1.00 1.87 C ATOM 1369 O GLY A 115 10.750 -9.627 -1.331 1.00 2.62 O ATOM 0 H GLY A 115 12.529 -11.678 1.536 1.00 1.73 H new ATOM 0 HA2 GLY A 115 10.679 -11.899 0.048 1.00 2.05 H new ATOM 0 HA3 GLY A 115 9.786 -10.715 0.982 1.00 2.05 H new ATOM 1373 N ASP A 116 12.390 -9.231 0.179 1.00 1.38 N ATOM 1374 CA ASP A 116 12.995 -8.111 -0.553 1.00 1.29 C ATOM 1375 C ASP A 116 11.932 -7.068 -0.888 1.00 1.01 C ATOM 1376 O ASP A 116 11.796 -6.639 -2.035 1.00 1.32 O ATOM 1377 CB ASP A 116 13.683 -8.595 -1.839 1.00 1.58 C ATOM 1378 CG ASP A 116 14.746 -9.648 -1.585 1.00 2.09 C ATOM 1379 OD1 ASP A 116 14.442 -10.854 -1.736 1.00 2.76 O ATOM 1380 OD2 ASP A 116 15.889 -9.280 -1.231 1.00 2.42 O ATOM 0 H ASP A 116 12.868 -9.463 1.050 1.00 1.38 H new ATOM 0 HA ASP A 116 13.753 -7.659 0.087 1.00 1.29 H new ATOM 0 HB2 ASP A 116 12.931 -9.002 -2.515 1.00 1.58 H new ATOM 0 HB3 ASP A 116 14.138 -7.743 -2.344 1.00 1.58 H new ATOM 1385 N SER A 117 11.189 -6.654 0.127 1.00 0.60 N ATOM 1386 CA SER A 117 10.046 -5.788 -0.063 1.00 0.36 C ATOM 1387 C SER A 117 9.797 -4.947 1.186 1.00 0.34 C ATOM 1388 O SER A 117 10.513 -5.076 2.177 1.00 0.54 O ATOM 1389 CB SER A 117 8.817 -6.629 -0.419 1.00 0.35 C ATOM 1390 OG SER A 117 8.756 -7.799 0.379 1.00 1.07 O ATOM 0 H SER A 117 11.364 -6.910 1.099 1.00 0.60 H new ATOM 0 HA SER A 117 10.248 -5.103 -0.886 1.00 0.36 H new ATOM 0 HB2 SER A 117 7.913 -6.038 -0.274 1.00 0.35 H new ATOM 0 HB3 SER A 117 8.853 -6.904 -1.473 1.00 0.35 H new ATOM 0 HG SER A 117 7.962 -8.320 0.136 1.00 1.07 H new ATOM 1396 N TYR A 118 8.788 -4.090 1.143 1.00 0.22 N ATOM 1397 CA TYR A 118 8.521 -3.176 2.221 1.00 0.24 C ATOM 1398 C TYR A 118 7.159 -3.496 2.798 1.00 0.24 C ATOM 1399 O TYR A 118 6.302 -4.056 2.110 1.00 0.26 O ATOM 1400 CB TYR A 118 8.544 -1.743 1.686 1.00 0.30 C ATOM 1401 CG TYR A 118 9.565 -1.551 0.589 1.00 0.32 C ATOM 1402 CD1 TYR A 118 9.186 -1.585 -0.746 1.00 0.42 C ATOM 1403 CD2 TYR A 118 10.910 -1.371 0.884 1.00 0.57 C ATOM 1404 CE1 TYR A 118 10.118 -1.446 -1.754 1.00 0.55 C ATOM 1405 CE2 TYR A 118 11.849 -1.225 -0.121 1.00 0.72 C ATOM 1406 CZ TYR A 118 11.447 -1.265 -1.439 1.00 0.67 C ATOM 1407 OH TYR A 118 12.375 -1.133 -2.448 1.00 0.86 O ATOM 0 H TYR A 118 8.139 -4.016 0.359 1.00 0.22 H new ATOM 0 HA TYR A 118 9.279 -3.273 2.999 1.00 0.24 H new ATOM 0 HB2 TYR A 118 7.555 -1.484 1.307 1.00 0.30 H new ATOM 0 HB3 TYR A 118 8.761 -1.057 2.504 1.00 0.30 H new ATOM 0 HD1 TYR A 118 8.145 -1.722 -1.000 1.00 0.42 H new ATOM 0 HD2 TYR A 118 11.228 -1.345 1.916 1.00 0.57 H new ATOM 0 HE1 TYR A 118 9.806 -1.479 -2.788 1.00 0.55 H new ATOM 0 HE2 TYR A 118 12.891 -1.081 0.125 1.00 0.72 H new ATOM 0 HH TYR A 118 13.266 -1.011 -2.059 1.00 0.86 H new ATOM 1417 N TRP A 119 6.949 -3.136 4.039 1.00 0.27 N ATOM 1418 CA TRP A 119 5.664 -3.326 4.661 1.00 0.30 C ATOM 1419 C TRP A 119 4.933 -2.006 4.697 1.00 0.33 C ATOM 1420 O TRP A 119 5.346 -1.074 5.391 1.00 0.38 O ATOM 1421 CB TRP A 119 5.812 -3.885 6.076 1.00 0.36 C ATOM 1422 CG TRP A 119 6.084 -5.356 6.118 1.00 0.38 C ATOM 1423 CD1 TRP A 119 7.297 -5.966 6.239 1.00 0.48 C ATOM 1424 CD2 TRP A 119 5.112 -6.404 6.044 1.00 0.42 C ATOM 1425 NE1 TRP A 119 7.139 -7.331 6.252 1.00 0.52 N ATOM 1426 CE2 TRP A 119 5.807 -7.624 6.128 1.00 0.48 C ATOM 1427 CE3 TRP A 119 3.721 -6.427 5.909 1.00 0.52 C ATOM 1428 CZ2 TRP A 119 5.158 -8.854 6.087 1.00 0.56 C ATOM 1429 CZ3 TRP A 119 3.077 -7.649 5.871 1.00 0.63 C ATOM 1430 CH2 TRP A 119 3.795 -8.848 5.958 1.00 0.62 C ATOM 0 H TRP A 119 7.654 -2.709 4.640 1.00 0.27 H new ATOM 0 HA TRP A 119 5.095 -4.049 4.077 1.00 0.30 H new ATOM 0 HB2 TRP A 119 6.623 -3.360 6.581 1.00 0.36 H new ATOM 0 HB3 TRP A 119 4.900 -3.677 6.636 1.00 0.36 H new ATOM 0 HD1 TRP A 119 8.244 -5.452 6.314 1.00 0.48 H new ATOM 0 HE1 TRP A 119 7.891 -8.014 6.340 1.00 0.52 H new ATOM 0 HE3 TRP A 119 3.160 -5.507 5.836 1.00 0.52 H new ATOM 0 HZ2 TRP A 119 5.710 -9.780 6.154 1.00 0.56 H new ATOM 0 HZ3 TRP A 119 2.002 -7.680 5.773 1.00 0.63 H new ATOM 0 HH2 TRP A 119 3.263 -9.787 5.923 1.00 0.62 H new ATOM 1441 N VAL A 120 3.872 -1.913 3.922 1.00 0.33 N ATOM 1442 CA VAL A 120 3.070 -0.713 3.914 1.00 0.37 C ATOM 1443 C VAL A 120 1.792 -0.916 4.749 1.00 0.40 C ATOM 1444 O VAL A 120 0.969 -1.798 4.487 1.00 0.55 O ATOM 1445 CB VAL A 120 2.810 -0.313 2.666 1.00 0.40 C ATOM 1446 CG1 VAL A 120 1.964 -1.320 1.893 1.00 0.90 C ATOM 1447 CG2 VAL A 120 2.165 1.060 2.647 1.00 0.91 C ATOM 0 H VAL A 120 3.549 -2.650 3.295 1.00 0.33 H new ATOM 0 HA VAL A 120 3.638 0.091 4.382 1.00 0.37 H new ATOM 0 HB VAL A 120 3.772 -0.246 2.158 1.00 0.40 H new ATOM 0 HG11 VAL A 120 1.782 -0.945 0.886 1.00 0.90 H new ATOM 0 HG12 VAL A 120 2.492 -2.272 1.836 1.00 0.90 H new ATOM 0 HG13 VAL A 120 1.012 -1.463 2.404 1.00 0.90 H new ATOM 0 HG21 VAL A 120 1.967 1.355 1.616 1.00 0.91 H new ATOM 0 HG22 VAL A 120 1.227 1.029 3.202 1.00 0.91 H new ATOM 0 HG23 VAL A 120 2.836 1.784 3.109 1.00 0.91 H new ATOM 1457 N PHE A 121 1.679 -0.139 5.813 1.00 0.39 N ATOM 1458 CA PHE A 121 0.573 -0.272 6.747 1.00 0.41 C ATOM 1459 C PHE A 121 -0.367 0.910 6.629 1.00 0.41 C ATOM 1460 O PHE A 121 0.054 2.058 6.749 1.00 0.49 O ATOM 1461 CB PHE A 121 1.080 -0.360 8.188 1.00 0.48 C ATOM 1462 CG PHE A 121 2.035 -1.490 8.439 1.00 0.53 C ATOM 1463 CD1 PHE A 121 3.276 -1.247 9.000 1.00 0.56 C ATOM 1464 CD2 PHE A 121 1.692 -2.793 8.121 1.00 0.69 C ATOM 1465 CE1 PHE A 121 4.156 -2.283 9.240 1.00 0.65 C ATOM 1466 CE2 PHE A 121 2.568 -3.833 8.357 1.00 0.79 C ATOM 1467 CZ PHE A 121 3.803 -3.577 8.917 1.00 0.73 C ATOM 0 H PHE A 121 2.345 0.596 6.053 1.00 0.39 H new ATOM 0 HA PHE A 121 0.041 -1.190 6.497 1.00 0.41 H new ATOM 0 HB2 PHE A 121 1.570 0.579 8.446 1.00 0.48 H new ATOM 0 HB3 PHE A 121 0.225 -0.467 8.856 1.00 0.48 H new ATOM 0 HD1 PHE A 121 3.559 -0.236 9.253 1.00 0.56 H new ATOM 0 HD2 PHE A 121 0.727 -2.998 7.683 1.00 0.69 H new ATOM 0 HE1 PHE A 121 5.121 -2.081 9.681 1.00 0.65 H new ATOM 0 HE2 PHE A 121 2.288 -4.845 8.104 1.00 0.79 H new ATOM 0 HZ PHE A 121 4.492 -4.388 9.102 1.00 0.73 H new ATOM 1477 N VAL A 122 -1.634 0.630 6.399 1.00 0.42 N ATOM 1478 CA VAL A 122 -2.630 1.679 6.337 1.00 0.51 C ATOM 1479 C VAL A 122 -3.551 1.625 7.548 1.00 0.54 C ATOM 1480 O VAL A 122 -3.873 0.548 8.057 1.00 0.76 O ATOM 1481 CB VAL A 122 -3.343 1.639 5.218 1.00 0.67 C ATOM 1482 CG1 VAL A 122 -2.485 2.055 4.030 1.00 1.18 C ATOM 1483 CG2 VAL A 122 -3.947 0.261 4.978 1.00 1.16 C ATOM 0 H VAL A 122 -1.997 -0.312 6.252 1.00 0.42 H new ATOM 0 HA VAL A 122 -2.087 2.624 6.343 1.00 0.51 H new ATOM 0 HB VAL A 122 -4.168 2.343 5.329 1.00 0.67 H new ATOM 0 HG11 VAL A 122 -3.082 2.018 3.119 1.00 1.18 H new ATOM 0 HG12 VAL A 122 -2.120 3.070 4.183 1.00 1.18 H new ATOM 0 HG13 VAL A 122 -1.638 1.375 3.937 1.00 1.18 H new ATOM 0 HG21 VAL A 122 -4.522 0.272 4.052 1.00 1.16 H new ATOM 0 HG22 VAL A 122 -3.149 -0.478 4.901 1.00 1.16 H new ATOM 0 HG23 VAL A 122 -4.602 0.001 5.809 1.00 1.16 H new ATOM 1493 N LYS A 123 -3.902 2.792 8.061 1.00 0.52 N ATOM 1494 CA LYS A 123 -4.801 2.891 9.202 1.00 0.66 C ATOM 1495 C LYS A 123 -5.775 4.036 9.000 1.00 0.55 C ATOM 1496 O LYS A 123 -5.373 5.135 8.620 1.00 0.51 O ATOM 1497 CB LYS A 123 -4.022 3.110 10.505 1.00 0.93 C ATOM 1498 CG LYS A 123 -3.085 1.973 10.861 1.00 1.36 C ATOM 1499 CD LYS A 123 -2.545 2.128 12.270 1.00 1.80 C ATOM 1500 CE LYS A 123 -1.699 0.933 12.680 1.00 2.62 C ATOM 1501 NZ LYS A 123 -0.442 0.832 11.895 1.00 3.31 N ATOM 0 H LYS A 123 -3.577 3.690 7.704 1.00 0.52 H new ATOM 0 HA LYS A 123 -5.348 1.951 9.278 1.00 0.66 H new ATOM 0 HB2 LYS A 123 -3.444 4.030 10.421 1.00 0.93 H new ATOM 0 HB3 LYS A 123 -4.731 3.252 11.321 1.00 0.93 H new ATOM 0 HG2 LYS A 123 -3.612 1.023 10.773 1.00 1.36 H new ATOM 0 HG3 LYS A 123 -2.257 1.945 10.152 1.00 1.36 H new ATOM 0 HD2 LYS A 123 -1.947 3.037 12.333 1.00 1.80 H new ATOM 0 HD3 LYS A 123 -3.375 2.244 12.968 1.00 1.80 H new ATOM 0 HE2 LYS A 123 -1.457 1.010 13.740 1.00 2.62 H new ATOM 0 HE3 LYS A 123 -2.279 0.019 12.551 1.00 2.62 H new ATOM 0 HZ1 LYS A 123 0.115 0.022 12.234 1.00 3.31 H new ATOM 0 HZ2 LYS A 123 -0.671 0.698 10.889 1.00 3.31 H new ATOM 0 HZ3 LYS A 123 0.111 1.705 12.011 1.00 3.31 H new ATOM 1515 N ARG A 124 -7.047 3.780 9.248 1.00 0.67 N ATOM 1516 CA ARG A 124 -8.069 4.804 9.086 1.00 0.76 C ATOM 1517 C ARG A 124 -7.948 5.835 10.195 1.00 0.85 C ATOM 1518 O ARG A 124 -7.990 5.492 11.376 1.00 0.96 O ATOM 1519 CB ARG A 124 -9.480 4.203 9.094 1.00 1.03 C ATOM 1520 CG ARG A 124 -9.861 3.446 7.828 1.00 1.58 C ATOM 1521 CD ARG A 124 -9.127 2.120 7.709 1.00 2.10 C ATOM 1522 NE ARG A 124 -9.573 1.339 6.557 1.00 2.55 N ATOM 1523 CZ ARG A 124 -8.826 0.419 5.947 1.00 3.32 C ATOM 1524 NH1 ARG A 124 -7.600 0.162 6.383 1.00 3.80 N ATOM 1525 NH2 ARG A 124 -9.315 -0.256 4.912 1.00 4.03 N ATOM 0 H ARG A 124 -7.398 2.875 9.562 1.00 0.67 H new ATOM 0 HA ARG A 124 -7.911 5.280 8.118 1.00 0.76 H new ATOM 0 HB2 ARG A 124 -9.566 3.527 9.944 1.00 1.03 H new ATOM 0 HB3 ARG A 124 -10.200 5.006 9.251 1.00 1.03 H new ATOM 0 HG2 ARG A 124 -10.936 3.266 7.824 1.00 1.58 H new ATOM 0 HG3 ARG A 124 -9.638 4.062 6.957 1.00 1.58 H new ATOM 0 HD2 ARG A 124 -8.056 2.306 7.626 1.00 2.10 H new ATOM 0 HD3 ARG A 124 -9.280 1.540 8.619 1.00 2.10 H new ATOM 0 HE ARG A 124 -10.513 1.508 6.198 1.00 2.55 H new ATOM 0 HH11 ARG A 124 -7.228 0.669 7.186 1.00 3.80 H new ATOM 0 HH12 ARG A 124 -7.030 -0.542 5.915 1.00 3.80 H new ATOM 0 HH21 ARG A 124 -10.263 -0.070 4.584 1.00 4.03 H new ATOM 0 HH22 ARG A 124 -8.743 -0.960 4.446 1.00 4.03 H new ATOM 1539 N VAL A 125 -7.780 7.091 9.813 1.00 1.06 N ATOM 1540 CA VAL A 125 -7.658 8.169 10.777 1.00 1.33 C ATOM 1541 C VAL A 125 -8.955 8.971 10.853 1.00 2.00 C ATOM 1542 O VAL A 125 -8.997 10.122 10.375 1.00 2.87 O ATOM 1543 CB VAL A 125 -6.627 8.964 10.502 1.00 1.50 C ATOM 1544 CG1 VAL A 125 -5.334 8.322 10.988 1.00 2.10 C ATOM 1545 CG2 VAL A 125 -6.526 9.282 9.012 1.00 2.08 C ATOM 1546 OXT VAL A 125 -9.947 8.426 11.382 1.00 2.26 O ATOM 0 H VAL A 125 -7.725 7.388 8.839 1.00 1.06 H new ATOM 0 HA VAL A 125 -7.470 7.718 11.751 1.00 1.33 H new ATOM 0 HB VAL A 125 -6.790 9.906 11.025 1.00 1.50 H new ATOM 0 HG11 VAL A 125 -4.494 8.978 10.760 1.00 2.10 H new ATOM 0 HG12 VAL A 125 -5.389 8.164 12.065 1.00 2.10 H new ATOM 0 HG13 VAL A 125 -5.193 7.364 10.487 1.00 2.10 H new ATOM 0 HG21 VAL A 125 -5.670 9.933 8.836 1.00 2.08 H new ATOM 0 HG22 VAL A 125 -6.399 8.357 8.450 1.00 2.08 H new ATOM 0 HG23 VAL A 125 -7.437 9.783 8.684 1.00 2.08 H new