USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 773 hydrogens (6 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 99 GLN : amide:sc= -1.47 X(o=-1.5,f=-2) USER MOD Set 1.2: A 100 MET CE :methyl 163:sc= -0.0632 (180deg=-0.428) USER MOD Set 2.1: A 72 SER OG : rot 143:sc= 0.984 USER MOD Set 2.2: A 94 TYR OH : rot 0:sc= 1.17 USER MOD Set 3.1: A 87 ASN : amide:sc= 0.0737 K(o=-0.023,f=-0.66) USER MOD Set 3.2: A 89 ASN : amide:sc= -0.097 K(o=-0.023,f=-3.1!) USER MOD Set 4.1: A 76 TYR OH : rot 180:sc= 0.269 USER MOD Set 4.2: A 80 LYS NZ :NH3+ -126:sc= 0.284 (180deg=0.114) USER MOD Set 5.1: A 32 GLN : amide:sc= -5.3! C(o=-5.4!,f=-5.3!) USER MOD Set 5.2: A 41 GLN : amide:sc= -0.105 X(o=-5.4,f=-5.3!) USER MOD Single : A 38 ASN : amide:sc= 0.054 K(o=0.054,f=-0.55) USER MOD Single : A 42 TYR OH : rot 130:sc= 0 USER MOD Single : A 43 ASN :FLIP amide:sc= -0.329 F(o=-1.5,f=-0.33) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0.661 K(o=0.66,f=-0.16) USER MOD Single : A 60 LYS NZ :NH3+ 160:sc= 1.25 (180deg=1.18) USER MOD Single : A 61 ASN : amide:sc= 0.402 K(o=0.4,f=-7.8!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot -168:sc= -2.12! USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 87:sc= 1.13 USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.103 USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0538 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0.04 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0.0817 USER MOD Single : A 104 LYS NZ :NH3+ -166:sc= 0.915 (180deg=0.507) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 HIS :FLIP no HE2:sc= -0.321 F(o=-1.8,f=-0.32) USER MOD Single : A 109 MET CE :methyl 165:sc= -1.31 (180deg=-2.44!) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 172:sc= 0.613 (180deg=0.501) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot -170:sc= -0.812 USER MOD Single : A 118 TYR OH : rot -144:sc= 1.2 USER MOD Single : A 123 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0337) USER MOD Single : A 169 HC4 O4' : rot 154:sc= 0.324 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 26 -11.147 -4.529 13.361 1.00 2.56 N ATOM 2 CA LEU A 26 -9.754 -4.471 12.863 1.00 1.97 C ATOM 3 C LEU A 26 -9.013 -3.326 13.531 1.00 1.87 C ATOM 4 O LEU A 26 -9.629 -2.355 13.970 1.00 2.52 O ATOM 5 CB LEU A 26 -9.714 -4.277 11.338 1.00 2.20 C ATOM 6 CG LEU A 26 -10.091 -5.478 10.481 1.00 2.82 C ATOM 7 CD1 LEU A 26 -9.246 -6.691 10.838 1.00 3.22 C ATOM 8 CD2 LEU A 26 -11.575 -5.796 10.584 1.00 3.34 C ATOM 0 HA LEU A 26 -9.273 -5.418 13.106 1.00 1.97 H new ATOM 0 HB2 LEU A 26 -10.383 -3.455 11.083 1.00 2.20 H new ATOM 0 HB3 LEU A 26 -8.707 -3.966 11.062 1.00 2.20 H new ATOM 0 HG LEU A 26 -9.884 -5.217 9.443 1.00 2.82 H new ATOM 0 HD11 LEU A 26 -9.536 -7.534 10.211 1.00 3.22 H new ATOM 0 HD12 LEU A 26 -8.193 -6.462 10.674 1.00 3.22 H new ATOM 0 HD13 LEU A 26 -9.402 -6.948 11.886 1.00 3.22 H new ATOM 0 HD21 LEU A 26 -11.806 -6.659 9.959 1.00 3.34 H new ATOM 0 HD22 LEU A 26 -11.828 -6.020 11.620 1.00 3.34 H new ATOM 0 HD23 LEU A 26 -12.155 -4.937 10.247 1.00 3.34 H new ATOM 20 N ALA A 27 -7.696 -3.440 13.611 1.00 1.72 N ATOM 21 CA ALA A 27 -6.879 -2.398 14.214 1.00 2.23 C ATOM 22 C ALA A 27 -6.165 -1.597 13.135 1.00 2.04 C ATOM 23 O ALA A 27 -6.198 -0.368 13.130 1.00 2.86 O ATOM 24 CB ALA A 27 -5.876 -3.003 15.185 1.00 2.90 C ATOM 0 H ALA A 27 -7.170 -4.243 13.266 1.00 1.72 H new ATOM 0 HA ALA A 27 -7.530 -1.724 14.771 1.00 2.23 H new ATOM 0 HB1 ALA A 27 -5.273 -2.210 15.627 1.00 2.90 H new ATOM 0 HB2 ALA A 27 -6.408 -3.536 15.973 1.00 2.90 H new ATOM 0 HB3 ALA A 27 -5.227 -3.698 14.652 1.00 2.90 H new ATOM 30 N PHE A 28 -5.530 -2.311 12.217 1.00 1.27 N ATOM 31 CA PHE A 28 -4.853 -1.688 11.091 1.00 1.21 C ATOM 32 C PHE A 28 -4.614 -2.721 10.003 1.00 0.94 C ATOM 33 O PHE A 28 -4.676 -3.927 10.258 1.00 0.94 O ATOM 34 CB PHE A 28 -3.524 -1.046 11.527 1.00 1.52 C ATOM 35 CG PHE A 28 -2.522 -2.008 12.111 1.00 1.96 C ATOM 36 CD1 PHE A 28 -1.566 -2.612 11.305 1.00 2.75 C ATOM 37 CD2 PHE A 28 -2.528 -2.300 13.467 1.00 2.12 C ATOM 38 CE1 PHE A 28 -0.641 -3.486 11.840 1.00 3.75 C ATOM 39 CE2 PHE A 28 -1.604 -3.176 14.006 1.00 2.99 C ATOM 40 CZ PHE A 28 -0.659 -3.768 13.192 1.00 3.85 C ATOM 0 H PHE A 28 -5.470 -3.329 12.231 1.00 1.27 H new ATOM 0 HA PHE A 28 -5.490 -0.895 10.699 1.00 1.21 H new ATOM 0 HB2 PHE A 28 -3.074 -0.553 10.665 1.00 1.52 H new ATOM 0 HB3 PHE A 28 -3.735 -0.271 12.264 1.00 1.52 H new ATOM 0 HD1 PHE A 28 -1.546 -2.395 10.247 1.00 2.75 H new ATOM 0 HD2 PHE A 28 -3.263 -1.838 14.109 1.00 2.12 H new ATOM 0 HE1 PHE A 28 0.097 -3.949 11.201 1.00 3.75 H new ATOM 0 HE2 PHE A 28 -1.621 -3.397 15.063 1.00 2.99 H new ATOM 0 HZ PHE A 28 0.065 -4.451 13.612 1.00 3.85 H new ATOM 50 N GLY A 29 -4.342 -2.254 8.800 1.00 0.85 N ATOM 51 CA GLY A 29 -4.108 -3.158 7.700 1.00 0.73 C ATOM 52 C GLY A 29 -2.643 -3.266 7.365 1.00 0.63 C ATOM 53 O GLY A 29 -2.003 -2.274 7.032 1.00 0.69 O ATOM 0 H GLY A 29 -4.279 -1.264 8.564 1.00 0.85 H new ATOM 0 HA2 GLY A 29 -4.497 -4.145 7.952 1.00 0.73 H new ATOM 0 HA3 GLY A 29 -4.657 -2.813 6.823 1.00 0.73 H new ATOM 57 N ALA A 30 -2.104 -4.468 7.466 1.00 0.66 N ATOM 58 CA ALA A 30 -0.710 -4.700 7.145 1.00 0.59 C ATOM 59 C ALA A 30 -0.592 -5.376 5.789 1.00 0.56 C ATOM 60 O ALA A 30 -0.862 -6.569 5.647 1.00 0.65 O ATOM 61 CB ALA A 30 -0.045 -5.546 8.221 1.00 0.71 C ATOM 0 H ALA A 30 -2.613 -5.299 7.768 1.00 0.66 H new ATOM 0 HA ALA A 30 -0.198 -3.738 7.103 1.00 0.59 H new ATOM 0 HB1 ALA A 30 1.001 -5.709 7.961 1.00 0.71 H new ATOM 0 HB2 ALA A 30 -0.105 -5.029 9.179 1.00 0.71 H new ATOM 0 HB3 ALA A 30 -0.554 -6.507 8.295 1.00 0.71 H new ATOM 67 N ILE A 31 -0.214 -4.594 4.797 1.00 0.49 N ATOM 68 CA ILE A 31 -0.014 -5.090 3.451 1.00 0.53 C ATOM 69 C ILE A 31 1.486 -5.102 3.165 1.00 0.43 C ATOM 70 O ILE A 31 2.253 -4.454 3.875 1.00 0.49 O ATOM 71 CB ILE A 31 -0.650 -4.317 2.564 1.00 0.62 C ATOM 72 CG1 ILE A 31 -2.097 -4.063 2.998 1.00 0.82 C ATOM 73 CG2 ILE A 31 -0.629 -4.928 1.162 1.00 1.08 C ATOM 74 CD1 ILE A 31 -2.836 -3.084 2.110 1.00 0.96 C ATOM 0 H ILE A 31 -0.037 -3.595 4.903 1.00 0.49 H new ATOM 0 HA ILE A 31 -0.421 -6.097 3.364 1.00 0.53 H new ATOM 0 HB ILE A 31 -0.117 -3.367 2.529 1.00 0.62 H new ATOM 0 HG12 ILE A 31 -2.636 -5.010 3.007 1.00 0.82 H new ATOM 0 HG13 ILE A 31 -2.099 -3.686 4.021 1.00 0.82 H new ATOM 0 HG21 ILE A 31 -1.156 -4.270 0.471 1.00 1.08 H new ATOM 0 HG22 ILE A 31 0.403 -5.049 0.833 1.00 1.08 H new ATOM 0 HG23 ILE A 31 -1.120 -5.901 1.182 1.00 1.08 H new ATOM 0 HD11 ILE A 31 -3.853 -2.954 2.479 1.00 0.96 H new ATOM 0 HD12 ILE A 31 -2.321 -2.123 2.120 1.00 0.96 H new ATOM 0 HD13 ILE A 31 -2.866 -3.469 1.091 1.00 0.96 H new ATOM 86 N GLN A 32 1.920 -5.874 2.189 1.00 0.39 N ATOM 87 CA GLN A 32 3.317 -5.866 1.808 1.00 0.34 C ATOM 88 C GLN A 32 3.451 -5.778 0.300 1.00 0.33 C ATOM 89 O GLN A 32 2.755 -6.484 -0.434 1.00 0.36 O ATOM 90 CB GLN A 32 4.020 -7.109 2.344 1.00 0.37 C ATOM 91 CG GLN A 32 5.522 -7.077 2.157 1.00 0.53 C ATOM 92 CD GLN A 32 6.233 -8.070 3.040 1.00 0.58 C ATOM 93 OE1 GLN A 32 5.710 -9.143 3.342 1.00 0.68 O ATOM 94 NE2 GLN A 32 7.418 -7.700 3.490 1.00 0.86 N ATOM 0 H GLN A 32 1.331 -6.509 1.650 1.00 0.39 H new ATOM 0 HA GLN A 32 3.795 -4.989 2.245 1.00 0.34 H new ATOM 0 HB2 GLN A 32 3.795 -7.215 3.405 1.00 0.37 H new ATOM 0 HB3 GLN A 32 3.617 -7.990 1.843 1.00 0.37 H new ATOM 0 HG2 GLN A 32 5.760 -7.287 1.114 1.00 0.53 H new ATOM 0 HG3 GLN A 32 5.891 -6.074 2.373 1.00 0.53 H new ATOM 0 HE21 GLN A 32 7.811 -6.801 3.212 1.00 0.86 H new ATOM 0 HE22 GLN A 32 7.940 -8.313 4.116 1.00 0.86 H new ATOM 103 N LEU A 33 4.338 -4.904 -0.154 1.00 0.38 N ATOM 104 CA LEU A 33 4.550 -4.703 -1.579 1.00 0.41 C ATOM 105 C LEU A 33 6.019 -4.407 -1.865 1.00 0.33 C ATOM 106 O LEU A 33 6.759 -4.039 -0.960 1.00 0.36 O ATOM 107 CB LEU A 33 3.668 -3.571 -2.139 1.00 0.56 C ATOM 108 CG LEU A 33 4.075 -2.128 -1.794 1.00 0.91 C ATOM 109 CD1 LEU A 33 3.177 -1.144 -2.527 1.00 1.24 C ATOM 110 CD2 LEU A 33 4.019 -1.865 -0.295 1.00 1.62 C ATOM 0 H LEU A 33 4.923 -4.322 0.446 1.00 0.38 H new ATOM 0 HA LEU A 33 4.264 -5.628 -2.080 1.00 0.41 H new ATOM 0 HB2 LEU A 33 3.646 -3.666 -3.225 1.00 0.56 H new ATOM 0 HB3 LEU A 33 2.650 -3.729 -1.784 1.00 0.56 H new ATOM 0 HG LEU A 33 5.107 -1.991 -2.116 1.00 0.91 H new ATOM 0 HD11 LEU A 33 3.473 -0.125 -2.276 1.00 1.24 H new ATOM 0 HD12 LEU A 33 3.272 -1.296 -3.602 1.00 1.24 H new ATOM 0 HD13 LEU A 33 2.141 -1.305 -2.229 1.00 1.24 H new ATOM 0 HD21 LEU A 33 4.314 -0.835 -0.095 1.00 1.62 H new ATOM 0 HD22 LEU A 33 3.003 -2.028 0.065 1.00 1.62 H new ATOM 0 HD23 LEU A 33 4.700 -2.543 0.219 1.00 1.62 H new ATOM 122 N ASP A 34 6.441 -4.563 -3.113 1.00 0.33 N ATOM 123 CA ASP A 34 7.824 -4.272 -3.483 1.00 0.34 C ATOM 124 C ASP A 34 7.916 -2.945 -4.226 1.00 0.40 C ATOM 125 O ASP A 34 6.897 -2.362 -4.595 1.00 0.43 O ATOM 126 CB ASP A 34 8.477 -5.410 -4.289 1.00 0.38 C ATOM 127 CG ASP A 34 7.893 -5.630 -5.675 1.00 0.51 C ATOM 128 OD1 ASP A 34 7.746 -4.655 -6.446 1.00 0.89 O ATOM 129 OD2 ASP A 34 7.634 -6.801 -6.020 1.00 1.22 O ATOM 0 H ASP A 34 5.853 -4.886 -3.882 1.00 0.33 H new ATOM 0 HA ASP A 34 8.390 -4.190 -2.555 1.00 0.34 H new ATOM 0 HB2 ASP A 34 9.542 -5.200 -4.389 1.00 0.38 H new ATOM 0 HB3 ASP A 34 8.386 -6.336 -3.721 1.00 0.38 H new ATOM 134 N GLY A 35 9.146 -2.473 -4.411 1.00 0.47 N ATOM 135 CA GLY A 35 9.403 -1.127 -4.909 1.00 0.57 C ATOM 136 C GLY A 35 8.688 -0.764 -6.200 1.00 0.64 C ATOM 137 O GLY A 35 8.413 0.411 -6.447 1.00 0.79 O ATOM 0 H GLY A 35 9.990 -3.013 -4.220 1.00 0.47 H new ATOM 0 HA2 GLY A 35 9.114 -0.411 -4.139 1.00 0.57 H new ATOM 0 HA3 GLY A 35 10.476 -1.013 -5.063 1.00 0.57 H new ATOM 141 N ASP A 36 8.385 -1.744 -7.034 1.00 0.58 N ATOM 142 CA ASP A 36 7.757 -1.450 -8.312 1.00 0.66 C ATOM 143 C ASP A 36 6.244 -1.478 -8.201 1.00 0.61 C ATOM 144 O ASP A 36 5.543 -1.047 -9.117 1.00 0.78 O ATOM 145 CB ASP A 36 8.249 -2.399 -9.403 1.00 0.69 C ATOM 146 CG ASP A 36 9.637 -2.026 -9.880 1.00 1.21 C ATOM 147 OD1 ASP A 36 9.770 -1.012 -10.599 1.00 1.95 O ATOM 148 OD2 ASP A 36 10.604 -2.727 -9.518 1.00 1.56 O ATOM 0 H ASP A 36 8.559 -2.733 -6.855 1.00 0.58 H new ATOM 0 HA ASP A 36 8.049 -0.439 -8.597 1.00 0.66 H new ATOM 0 HB2 ASP A 36 8.257 -3.420 -9.022 1.00 0.69 H new ATOM 0 HB3 ASP A 36 7.556 -2.378 -10.244 1.00 0.69 H new ATOM 153 N GLY A 37 5.741 -1.959 -7.072 1.00 0.51 N ATOM 154 CA GLY A 37 4.319 -1.905 -6.825 1.00 0.53 C ATOM 155 C GLY A 37 3.669 -3.265 -6.733 1.00 0.47 C ATOM 156 O GLY A 37 2.456 -3.357 -6.561 1.00 0.53 O ATOM 0 H GLY A 37 6.293 -2.384 -6.327 1.00 0.51 H new ATOM 0 HA2 GLY A 37 4.140 -1.363 -5.897 1.00 0.53 H new ATOM 0 HA3 GLY A 37 3.841 -1.337 -7.623 1.00 0.53 H new ATOM 160 N ASN A 38 4.458 -4.320 -6.840 1.00 0.40 N ATOM 161 CA ASN A 38 3.912 -5.670 -6.773 1.00 0.39 C ATOM 162 C ASN A 38 3.465 -5.991 -5.360 1.00 0.34 C ATOM 163 O ASN A 38 4.234 -5.842 -4.409 1.00 0.40 O ATOM 164 CB ASN A 38 4.941 -6.707 -7.211 1.00 0.44 C ATOM 165 CG ASN A 38 5.315 -6.594 -8.672 1.00 0.70 C ATOM 166 OD1 ASN A 38 4.482 -6.274 -9.518 1.00 1.30 O ATOM 167 ND2 ASN A 38 6.579 -6.839 -8.974 1.00 1.24 N ATOM 0 H ASN A 38 5.468 -4.273 -6.972 1.00 0.40 H new ATOM 0 HA ASN A 38 3.059 -5.709 -7.450 1.00 0.39 H new ATOM 0 HB2 ASN A 38 5.839 -6.598 -6.603 1.00 0.44 H new ATOM 0 HB3 ASN A 38 4.546 -7.705 -7.020 1.00 0.44 H new ATOM 0 HD21 ASN A 38 6.896 -6.765 -9.941 1.00 1.24 H new ATOM 0 HD22 ASN A 38 7.237 -7.102 -8.240 1.00 1.24 H new ATOM 174 N ILE A 39 2.224 -6.418 -5.224 1.00 0.32 N ATOM 175 CA ILE A 39 1.696 -6.801 -3.931 1.00 0.32 C ATOM 176 C ILE A 39 2.074 -8.248 -3.621 1.00 0.36 C ATOM 177 O ILE A 39 2.305 -9.049 -4.529 1.00 0.41 O ATOM 178 CB ILE A 39 0.378 -6.664 -3.884 1.00 0.37 C ATOM 179 CG1 ILE A 39 -0.058 -5.335 -4.495 1.00 0.41 C ATOM 180 CG2 ILE A 39 -0.121 -6.757 -2.445 1.00 0.43 C ATOM 181 CD1 ILE A 39 -1.559 -5.171 -4.589 1.00 0.89 C ATOM 0 H ILE A 39 1.563 -6.508 -5.995 1.00 0.32 H new ATOM 0 HA ILE A 39 2.132 -6.139 -3.183 1.00 0.32 H new ATOM 0 HB ILE A 39 -0.060 -7.475 -4.466 1.00 0.37 H new ATOM 0 HG12 ILE A 39 0.351 -4.520 -3.898 1.00 0.41 H new ATOM 0 HG13 ILE A 39 0.371 -5.246 -5.493 1.00 0.41 H new ATOM 0 HG21 ILE A 39 -1.205 -6.642 -2.428 1.00 0.43 H new ATOM 0 HG22 ILE A 39 0.148 -7.728 -2.029 1.00 0.43 H new ATOM 0 HG23 ILE A 39 0.337 -5.967 -1.849 1.00 0.43 H new ATOM 0 HD11 ILE A 39 -1.792 -4.203 -5.033 1.00 0.89 H new ATOM 0 HD12 ILE A 39 -1.973 -5.965 -5.211 1.00 0.89 H new ATOM 0 HD13 ILE A 39 -1.994 -5.227 -3.591 1.00 0.89 H new ATOM 193 N LEU A 40 2.219 -8.554 -2.341 1.00 0.40 N ATOM 194 CA LEU A 40 2.529 -9.903 -1.900 1.00 0.49 C ATOM 195 C LEU A 40 1.332 -10.504 -1.198 1.00 0.56 C ATOM 196 O LEU A 40 0.868 -11.588 -1.544 1.00 0.73 O ATOM 197 CB LEU A 40 3.715 -9.902 -0.934 1.00 0.55 C ATOM 198 CG LEU A 40 5.086 -9.576 -1.549 1.00 0.59 C ATOM 199 CD1 LEU A 40 5.140 -8.146 -2.067 1.00 1.39 C ATOM 200 CD2 LEU A 40 6.190 -9.815 -0.532 1.00 1.45 C ATOM 0 H LEU A 40 2.126 -7.878 -1.583 1.00 0.40 H new ATOM 0 HA LEU A 40 2.784 -10.494 -2.780 1.00 0.49 H new ATOM 0 HB2 LEU A 40 3.513 -9.180 -0.143 1.00 0.55 H new ATOM 0 HB3 LEU A 40 3.775 -10.883 -0.462 1.00 0.55 H new ATOM 0 HG LEU A 40 5.237 -10.241 -2.399 1.00 0.59 H new ATOM 0 HD11 LEU A 40 6.123 -7.951 -2.495 1.00 1.39 H new ATOM 0 HD12 LEU A 40 4.377 -8.007 -2.833 1.00 1.39 H new ATOM 0 HD13 LEU A 40 4.958 -7.454 -1.245 1.00 1.39 H new ATOM 0 HD21 LEU A 40 7.155 -9.580 -0.981 1.00 1.45 H new ATOM 0 HD22 LEU A 40 6.029 -9.177 0.337 1.00 1.45 H new ATOM 0 HD23 LEU A 40 6.179 -10.860 -0.222 1.00 1.45 H new ATOM 212 N GLN A 41 0.846 -9.786 -0.196 1.00 0.59 N ATOM 213 CA GLN A 41 -0.273 -10.242 0.598 1.00 0.73 C ATOM 214 C GLN A 41 -0.838 -9.103 1.442 1.00 0.61 C ATOM 215 O GLN A 41 -0.118 -8.175 1.820 1.00 0.60 O ATOM 216 CB GLN A 41 0.139 -11.439 1.474 1.00 0.99 C ATOM 217 CG GLN A 41 1.455 -11.266 2.228 1.00 0.88 C ATOM 218 CD GLN A 41 1.314 -10.462 3.505 1.00 1.20 C ATOM 219 OE1 GLN A 41 0.266 -10.476 4.148 1.00 1.99 O ATOM 220 NE2 GLN A 41 2.373 -9.770 3.890 1.00 1.30 N ATOM 0 H GLN A 41 1.217 -8.878 0.084 1.00 0.59 H new ATOM 0 HA GLN A 41 -1.062 -10.576 -0.076 1.00 0.73 H new ATOM 0 HB2 GLN A 41 -0.654 -11.630 2.197 1.00 0.99 H new ATOM 0 HB3 GLN A 41 0.214 -12.324 0.842 1.00 0.99 H new ATOM 0 HG2 GLN A 41 1.859 -12.249 2.469 1.00 0.88 H new ATOM 0 HG3 GLN A 41 2.177 -10.775 1.576 1.00 0.88 H new ATOM 0 HE21 GLN A 41 3.224 -9.785 3.328 1.00 1.30 H new ATOM 0 HE22 GLN A 41 2.339 -9.221 4.749 1.00 1.30 H new ATOM 229 N TYR A 42 -2.137 -9.172 1.686 1.00 0.68 N ATOM 230 CA TYR A 42 -2.839 -8.195 2.519 1.00 0.69 C ATOM 231 C TYR A 42 -3.019 -8.727 3.934 1.00 0.78 C ATOM 232 O TYR A 42 -2.567 -9.821 4.265 1.00 1.25 O ATOM 233 CB TYR A 42 -4.240 -7.888 1.966 1.00 0.78 C ATOM 234 CG TYR A 42 -4.292 -7.107 0.671 1.00 0.68 C ATOM 235 CD1 TYR A 42 -5.511 -6.662 0.179 1.00 0.83 C ATOM 236 CD2 TYR A 42 -3.147 -6.803 -0.048 1.00 0.57 C ATOM 237 CE1 TYR A 42 -5.590 -5.940 -0.990 1.00 0.80 C ATOM 238 CE2 TYR A 42 -3.218 -6.078 -1.224 1.00 0.56 C ATOM 239 CZ TYR A 42 -4.442 -5.649 -1.689 1.00 0.63 C ATOM 240 OH TYR A 42 -4.518 -4.926 -2.855 1.00 0.71 O ATOM 0 H TYR A 42 -2.740 -9.906 1.314 1.00 0.68 H new ATOM 0 HA TYR A 42 -2.231 -7.291 2.519 1.00 0.69 H new ATOM 0 HB2 TYR A 42 -4.764 -8.832 1.818 1.00 0.78 H new ATOM 0 HB3 TYR A 42 -4.793 -7.332 2.723 1.00 0.78 H new ATOM 0 HD1 TYR A 42 -6.416 -6.887 0.724 1.00 0.83 H new ATOM 0 HD2 TYR A 42 -2.186 -7.137 0.315 1.00 0.57 H new ATOM 0 HE1 TYR A 42 -6.549 -5.604 -1.357 1.00 0.80 H new ATOM 0 HE2 TYR A 42 -2.318 -5.849 -1.775 1.00 0.56 H new ATOM 0 HH TYR A 42 -3.875 -4.187 -2.824 1.00 0.71 H new ATOM 250 N ASN A 43 -3.701 -7.945 4.754 1.00 0.89 N ATOM 251 CA ASN A 43 -4.123 -8.385 6.073 1.00 0.95 C ATOM 252 C ASN A 43 -5.645 -8.497 6.082 1.00 1.08 C ATOM 253 O ASN A 43 -6.300 -7.949 5.193 1.00 1.63 O ATOM 254 CB ASN A 43 -3.638 -7.389 7.136 1.00 0.96 C ATOM 255 CG ASN A 43 -3.953 -7.822 8.555 1.00 1.38 C ATOM 256 OD1 ASN A 43 -4.950 -7.192 9.159 1.00 2.13 O flip ATOM 257 ND2 ASN A 43 -3.273 -8.674 9.120 1.00 1.66 N flip ATOM 0 H ASN A 43 -3.977 -6.990 4.525 1.00 0.89 H new ATOM 0 HA ASN A 43 -3.690 -9.358 6.305 1.00 0.95 H new ATOM 0 HB2 ASN A 43 -2.561 -7.257 7.035 1.00 0.96 H new ATOM 0 HB3 ASN A 43 -4.097 -6.418 6.950 1.00 0.96 H new ATOM 0 HD21 ASN A 43 -2.514 -9.136 8.619 1.00 1.66 H new ATOM 0 HD22 ASN A 43 -3.467 -8.920 10.091 1.00 1.66 H new ATOM 264 N ALA A 44 -6.199 -9.189 7.077 1.00 1.12 N ATOM 265 CA ALA A 44 -7.648 -9.413 7.167 1.00 1.23 C ATOM 266 C ALA A 44 -8.424 -8.100 7.072 1.00 1.22 C ATOM 267 O ALA A 44 -9.573 -8.069 6.636 1.00 1.39 O ATOM 268 CB ALA A 44 -7.983 -10.135 8.464 1.00 1.48 C ATOM 0 H ALA A 44 -5.665 -9.608 7.838 1.00 1.12 H new ATOM 0 HA ALA A 44 -7.947 -10.035 6.323 1.00 1.23 H new ATOM 0 HB1 ALA A 44 -9.059 -10.297 8.523 1.00 1.48 H new ATOM 0 HB2 ALA A 44 -7.469 -11.096 8.489 1.00 1.48 H new ATOM 0 HB3 ALA A 44 -7.661 -9.530 9.311 1.00 1.48 H new ATOM 274 N ALA A 45 -7.769 -7.026 7.494 1.00 1.21 N ATOM 275 CA ALA A 45 -8.292 -5.673 7.372 1.00 1.34 C ATOM 276 C ALA A 45 -8.868 -5.391 5.984 1.00 1.26 C ATOM 277 O ALA A 45 -10.026 -4.991 5.854 1.00 1.38 O ATOM 278 CB ALA A 45 -7.176 -4.690 7.662 1.00 1.52 C ATOM 0 H ALA A 45 -6.850 -7.071 7.935 1.00 1.21 H new ATOM 0 HA ALA A 45 -9.106 -5.564 8.088 1.00 1.34 H new ATOM 0 HB1 ALA A 45 -7.556 -3.672 7.574 1.00 1.52 H new ATOM 0 HB2 ALA A 45 -6.802 -4.852 8.673 1.00 1.52 H new ATOM 0 HB3 ALA A 45 -6.366 -4.838 6.948 1.00 1.52 H new ATOM 284 N GLU A 46 -8.065 -5.622 4.951 1.00 1.18 N ATOM 285 CA GLU A 46 -8.439 -5.243 3.590 1.00 1.23 C ATOM 286 C GLU A 46 -9.482 -6.203 3.024 1.00 1.20 C ATOM 287 O GLU A 46 -10.318 -5.819 2.197 1.00 1.42 O ATOM 288 CB GLU A 46 -7.206 -5.203 2.686 1.00 1.27 C ATOM 289 CG GLU A 46 -6.061 -4.371 3.248 1.00 1.10 C ATOM 290 CD GLU A 46 -6.514 -3.035 3.811 1.00 1.31 C ATOM 291 OE1 GLU A 46 -6.510 -2.872 5.053 1.00 2.12 O ATOM 292 OE2 GLU A 46 -6.956 -1.963 2.935 1.00 1.31 O ATOM 0 H GLU A 46 -7.152 -6.069 5.028 1.00 1.18 H new ATOM 0 HA GLU A 46 -8.877 -4.246 3.625 1.00 1.23 H new ATOM 0 HB2 GLU A 46 -6.855 -6.222 2.519 1.00 1.27 H new ATOM 0 HB3 GLU A 46 -7.492 -4.801 1.714 1.00 1.27 H new ATOM 0 HG2 GLU A 46 -5.559 -4.938 4.033 1.00 1.10 H new ATOM 0 HG3 GLU A 46 -5.327 -4.197 2.462 1.00 1.10 H new ATOM 300 N GLY A 47 -9.433 -7.449 3.476 1.00 1.08 N ATOM 301 CA GLY A 47 -10.466 -8.407 3.130 1.00 1.18 C ATOM 302 C GLY A 47 -11.815 -8.006 3.700 1.00 1.25 C ATOM 303 O GLY A 47 -12.861 -8.425 3.203 1.00 1.42 O ATOM 0 H GLY A 47 -8.695 -7.815 4.077 1.00 1.08 H new ATOM 0 HA2 GLY A 47 -10.539 -8.489 2.045 1.00 1.18 H new ATOM 0 HA3 GLY A 47 -10.190 -9.392 3.506 1.00 1.18 H new ATOM 307 N ASP A 48 -11.785 -7.191 4.747 1.00 1.26 N ATOM 308 CA ASP A 48 -13.005 -6.665 5.346 1.00 1.49 C ATOM 309 C ASP A 48 -13.432 -5.373 4.654 1.00 1.53 C ATOM 310 O ASP A 48 -14.626 -5.107 4.503 1.00 1.74 O ATOM 311 CB ASP A 48 -12.803 -6.429 6.845 1.00 1.72 C ATOM 312 CG ASP A 48 -13.988 -5.741 7.491 1.00 2.01 C ATOM 313 OD1 ASP A 48 -13.839 -4.579 7.928 1.00 2.28 O ATOM 314 OD2 ASP A 48 -15.076 -6.351 7.561 1.00 2.35 O ATOM 0 H ASP A 48 -10.926 -6.879 5.200 1.00 1.26 H new ATOM 0 HA ASP A 48 -13.798 -7.401 5.214 1.00 1.49 H new ATOM 0 HB2 ASP A 48 -12.629 -7.385 7.339 1.00 1.72 H new ATOM 0 HB3 ASP A 48 -11.909 -5.824 6.997 1.00 1.72 H new ATOM 319 N ILE A 49 -12.451 -4.573 4.234 1.00 1.50 N ATOM 320 CA ILE A 49 -12.717 -3.346 3.484 1.00 1.74 C ATOM 321 C ILE A 49 -13.599 -3.646 2.277 1.00 1.73 C ATOM 322 O ILE A 49 -14.669 -3.054 2.105 1.00 2.08 O ATOM 323 CB ILE A 49 -11.583 -2.781 3.074 1.00 1.98 C ATOM 324 CG1 ILE A 49 -10.715 -2.380 4.258 1.00 2.10 C ATOM 325 CG2 ILE A 49 -11.851 -1.574 2.176 1.00 2.43 C ATOM 326 CD1 ILE A 49 -11.383 -1.413 5.211 1.00 2.59 C ATOM 0 H ILE A 49 -11.461 -4.754 4.402 1.00 1.50 H new ATOM 0 HA ILE A 49 -13.233 -2.653 4.149 1.00 1.74 H new ATOM 0 HB ILE A 49 -11.044 -3.524 2.486 1.00 1.98 H new ATOM 0 HG12 ILE A 49 -10.431 -3.277 4.807 1.00 2.10 H new ATOM 0 HG13 ILE A 49 -9.795 -1.930 3.885 1.00 2.10 H new ATOM 0 HG21 ILE A 49 -10.903 -1.138 1.860 1.00 2.43 H new ATOM 0 HG22 ILE A 49 -12.415 -1.891 1.299 1.00 2.43 H new ATOM 0 HG23 ILE A 49 -12.426 -0.831 2.728 1.00 2.43 H new ATOM 0 HD11 ILE A 49 -10.700 -1.176 6.027 1.00 2.59 H new ATOM 0 HD12 ILE A 49 -11.643 -0.498 4.678 1.00 2.59 H new ATOM 0 HD13 ILE A 49 -12.288 -1.867 5.615 1.00 2.59 H new ATOM 338 N THR A 50 -13.160 -4.593 1.463 1.00 1.71 N ATOM 339 CA THR A 50 -13.917 -4.989 0.292 1.00 1.95 C ATOM 340 C THR A 50 -13.871 -6.507 0.095 1.00 1.90 C ATOM 341 O THR A 50 -14.898 -7.135 -0.163 1.00 2.37 O ATOM 342 CB THR A 50 -13.489 -4.355 -0.799 1.00 2.44 C ATOM 343 OG1 THR A 50 -14.212 -4.812 -1.948 1.00 3.41 O ATOM 344 CG2 THR A 50 -11.990 -4.516 -1.028 1.00 2.45 C ATOM 0 H THR A 50 -12.284 -5.100 1.594 1.00 1.71 H new ATOM 0 HA THR A 50 -14.955 -4.701 0.458 1.00 1.95 H new ATOM 0 HB THR A 50 -13.674 -3.292 -0.641 1.00 2.44 H new ATOM 0 HG1 THR A 50 -13.892 -4.340 -2.745 1.00 3.41 H new ATOM 0 HG21 THR A 50 -11.700 -3.978 -1.931 1.00 2.45 H new ATOM 0 HG22 THR A 50 -11.446 -4.112 -0.174 1.00 2.45 H new ATOM 0 HG23 THR A 50 -11.751 -5.573 -1.143 1.00 2.45 H new ATOM 352 N GLY A 51 -12.706 -7.106 0.301 1.00 1.87 N ATOM 353 CA GLY A 51 -12.562 -8.526 0.069 1.00 2.32 C ATOM 354 C GLY A 51 -11.589 -8.814 -1.049 1.00 1.77 C ATOM 355 O GLY A 51 -11.972 -9.299 -2.114 1.00 2.08 O ATOM 0 H GLY A 51 -11.861 -6.634 0.624 1.00 1.87 H new ATOM 0 HA2 GLY A 51 -12.220 -9.011 0.983 1.00 2.32 H new ATOM 0 HA3 GLY A 51 -13.534 -8.955 -0.175 1.00 2.32 H new ATOM 359 N ARG A 52 -10.328 -8.498 -0.817 1.00 1.46 N ATOM 360 CA ARG A 52 -9.293 -8.744 -1.801 1.00 1.09 C ATOM 361 C ARG A 52 -8.339 -9.799 -1.263 1.00 1.03 C ATOM 362 O ARG A 52 -7.484 -9.496 -0.430 1.00 1.29 O ATOM 363 CB ARG A 52 -8.526 -7.457 -2.111 1.00 1.22 C ATOM 364 CG ARG A 52 -8.000 -7.383 -3.535 1.00 1.55 C ATOM 365 CD ARG A 52 -9.083 -6.903 -4.488 1.00 1.67 C ATOM 366 NE ARG A 52 -9.509 -5.540 -4.169 1.00 1.96 N ATOM 367 CZ ARG A 52 -10.615 -4.964 -4.649 1.00 2.47 C ATOM 368 NH1 ARG A 52 -11.379 -5.599 -5.529 1.00 2.72 N ATOM 369 NH2 ARG A 52 -10.941 -3.736 -4.268 1.00 3.14 N ATOM 0 H ARG A 52 -9.997 -8.069 0.047 1.00 1.46 H new ATOM 0 HA ARG A 52 -9.754 -9.097 -2.724 1.00 1.09 H new ATOM 0 HB2 ARG A 52 -9.179 -6.603 -1.930 1.00 1.22 H new ATOM 0 HB3 ARG A 52 -7.688 -7.369 -1.419 1.00 1.22 H new ATOM 0 HG2 ARG A 52 -7.147 -6.706 -3.577 1.00 1.55 H new ATOM 0 HG3 ARG A 52 -7.644 -8.365 -3.847 1.00 1.55 H new ATOM 0 HD2 ARG A 52 -8.711 -6.939 -5.512 1.00 1.67 H new ATOM 0 HD3 ARG A 52 -9.940 -7.575 -4.436 1.00 1.67 H new ATOM 0 HE ARG A 52 -8.923 -4.993 -3.538 1.00 1.96 H new ATOM 0 HH11 ARG A 52 -11.124 -6.535 -5.844 1.00 2.72 H new ATOM 0 HH12 ARG A 52 -12.221 -5.151 -5.890 1.00 2.72 H new ATOM 0 HH21 ARG A 52 -10.348 -3.232 -3.609 1.00 3.14 H new ATOM 0 HH22 ARG A 52 -11.785 -3.296 -4.634 1.00 3.14 H new ATOM 383 N ASP A 53 -8.525 -11.038 -1.705 1.00 0.94 N ATOM 384 CA ASP A 53 -7.686 -12.149 -1.258 1.00 1.00 C ATOM 385 C ASP A 53 -6.211 -11.841 -1.495 1.00 0.89 C ATOM 386 O ASP A 53 -5.809 -11.474 -2.603 1.00 0.82 O ATOM 387 CB ASP A 53 -8.083 -13.449 -1.966 1.00 1.18 C ATOM 388 CG ASP A 53 -7.204 -14.624 -1.574 1.00 1.55 C ATOM 389 OD1 ASP A 53 -7.502 -15.283 -0.561 1.00 1.90 O ATOM 390 OD2 ASP A 53 -6.200 -14.884 -2.273 1.00 2.10 O ATOM 0 H ASP A 53 -9.250 -11.301 -2.373 1.00 0.94 H new ATOM 0 HA ASP A 53 -7.842 -12.281 -0.187 1.00 1.00 H new ATOM 0 HB2 ASP A 53 -9.121 -13.683 -1.731 1.00 1.18 H new ATOM 0 HB3 ASP A 53 -8.026 -13.302 -3.045 1.00 1.18 H new ATOM 395 N PRO A 54 -5.392 -11.980 -0.441 1.00 1.02 N ATOM 396 CA PRO A 54 -3.966 -11.628 -0.468 1.00 1.10 C ATOM 397 C PRO A 54 -3.160 -12.392 -1.520 1.00 1.03 C ATOM 398 O PRO A 54 -2.063 -11.979 -1.885 1.00 1.68 O ATOM 399 CB PRO A 54 -3.483 -11.994 0.940 1.00 1.35 C ATOM 400 CG PRO A 54 -4.711 -11.986 1.779 1.00 1.43 C ATOM 401 CD PRO A 54 -5.807 -12.475 0.884 1.00 1.25 C ATOM 0 HA PRO A 54 -3.828 -10.580 -0.735 1.00 1.10 H new ATOM 0 HB2 PRO A 54 -3.003 -12.973 0.951 1.00 1.35 H new ATOM 0 HB3 PRO A 54 -2.750 -11.275 1.306 1.00 1.35 H new ATOM 0 HG2 PRO A 54 -4.597 -12.632 2.649 1.00 1.43 H new ATOM 0 HG3 PRO A 54 -4.926 -10.984 2.152 1.00 1.43 H new ATOM 0 HD2 PRO A 54 -5.889 -13.562 0.902 1.00 1.25 H new ATOM 0 HD3 PRO A 54 -6.778 -12.077 1.179 1.00 1.25 H new ATOM 409 N LYS A 55 -3.705 -13.491 -2.014 1.00 0.89 N ATOM 410 CA LYS A 55 -3.000 -14.307 -2.995 1.00 0.96 C ATOM 411 C LYS A 55 -3.406 -13.929 -4.413 1.00 0.82 C ATOM 412 O LYS A 55 -2.891 -14.484 -5.385 1.00 0.92 O ATOM 413 CB LYS A 55 -3.268 -15.793 -2.764 1.00 1.26 C ATOM 414 CG LYS A 55 -2.799 -16.299 -1.410 1.00 1.53 C ATOM 415 CD LYS A 55 -2.969 -17.804 -1.287 1.00 2.06 C ATOM 416 CE LYS A 55 -2.081 -18.542 -2.276 1.00 2.89 C ATOM 417 NZ LYS A 55 -2.246 -20.012 -2.175 1.00 3.61 N ATOM 0 H LYS A 55 -4.628 -13.839 -1.755 1.00 0.89 H new ATOM 0 HA LYS A 55 -1.934 -14.117 -2.872 1.00 0.96 H new ATOM 0 HB2 LYS A 55 -4.338 -15.979 -2.860 1.00 1.26 H new ATOM 0 HB3 LYS A 55 -2.773 -16.368 -3.547 1.00 1.26 H new ATOM 0 HG2 LYS A 55 -1.751 -16.038 -1.266 1.00 1.53 H new ATOM 0 HG3 LYS A 55 -3.363 -15.803 -0.620 1.00 1.53 H new ATOM 0 HD2 LYS A 55 -2.726 -18.118 -0.272 1.00 2.06 H new ATOM 0 HD3 LYS A 55 -4.011 -18.070 -1.462 1.00 2.06 H new ATOM 0 HE2 LYS A 55 -2.319 -18.219 -3.289 1.00 2.89 H new ATOM 0 HE3 LYS A 55 -1.039 -18.280 -2.094 1.00 2.89 H new ATOM 0 HZ1 LYS A 55 -1.624 -20.479 -2.865 1.00 3.61 H new ATOM 0 HZ2 LYS A 55 -1.995 -20.324 -1.215 1.00 3.61 H new ATOM 0 HZ3 LYS A 55 -3.235 -20.265 -2.374 1.00 3.61 H new ATOM 431 N GLN A 56 -4.328 -12.983 -4.532 1.00 0.72 N ATOM 432 CA GLN A 56 -4.817 -12.560 -5.840 1.00 0.73 C ATOM 433 C GLN A 56 -4.187 -11.232 -6.244 1.00 0.63 C ATOM 434 O GLN A 56 -4.540 -10.645 -7.269 1.00 0.79 O ATOM 435 CB GLN A 56 -6.342 -12.434 -5.827 1.00 0.87 C ATOM 436 CG GLN A 56 -7.036 -13.598 -5.139 1.00 1.32 C ATOM 437 CD GLN A 56 -6.713 -14.946 -5.755 1.00 1.92 C ATOM 438 OE1 GLN A 56 -6.548 -15.075 -6.968 1.00 2.50 O ATOM 439 NE2 GLN A 56 -6.578 -15.953 -4.908 1.00 2.41 N ATOM 0 H GLN A 56 -4.752 -12.495 -3.743 1.00 0.72 H new ATOM 0 HA GLN A 56 -4.534 -13.318 -6.571 1.00 0.73 H new ATOM 0 HB2 GLN A 56 -6.619 -11.507 -5.325 1.00 0.87 H new ATOM 0 HB3 GLN A 56 -6.702 -12.360 -6.853 1.00 0.87 H new ATOM 0 HG2 GLN A 56 -6.750 -13.610 -4.087 1.00 1.32 H new ATOM 0 HG3 GLN A 56 -8.114 -13.440 -5.175 1.00 1.32 H new ATOM 0 HE21 GLN A 56 -6.724 -15.803 -3.910 1.00 2.41 H new ATOM 0 HE22 GLN A 56 -6.328 -16.880 -5.253 1.00 2.41 H new ATOM 448 N VAL A 57 -3.256 -10.759 -5.427 1.00 0.52 N ATOM 449 CA VAL A 57 -2.547 -9.517 -5.707 1.00 0.48 C ATOM 450 C VAL A 57 -1.057 -9.752 -5.896 1.00 0.55 C ATOM 451 O VAL A 57 -0.268 -8.813 -5.884 1.00 0.97 O ATOM 452 CB VAL A 57 -2.716 -8.610 -4.753 1.00 0.52 C ATOM 453 CG1 VAL A 57 -4.109 -7.997 -4.834 1.00 0.62 C ATOM 454 CG2 VAL A 57 -2.486 -9.205 -3.371 1.00 0.58 C ATOM 0 H VAL A 57 -2.973 -11.218 -4.561 1.00 0.52 H new ATOM 0 HA VAL A 57 -2.978 -9.136 -6.633 1.00 0.48 H new ATOM 0 HB VAL A 57 -1.975 -7.826 -4.912 1.00 0.52 H new ATOM 0 HG11 VAL A 57 -4.227 -7.256 -4.043 1.00 0.62 H new ATOM 0 HG12 VAL A 57 -4.239 -7.517 -5.804 1.00 0.62 H new ATOM 0 HG13 VAL A 57 -4.858 -8.779 -4.713 1.00 0.62 H new ATOM 0 HG21 VAL A 57 -2.633 -8.434 -2.614 1.00 0.58 H new ATOM 0 HG22 VAL A 57 -3.192 -10.018 -3.203 1.00 0.58 H new ATOM 0 HG23 VAL A 57 -1.468 -9.589 -3.305 1.00 0.58 H new ATOM 464 N ILE A 58 -0.669 -11.003 -6.075 1.00 0.51 N ATOM 465 CA ILE A 58 0.741 -11.327 -6.175 1.00 0.57 C ATOM 466 C ILE A 58 1.255 -11.031 -7.575 1.00 0.57 C ATOM 467 O ILE A 58 0.676 -11.476 -8.565 1.00 0.66 O ATOM 468 CB ILE A 58 0.986 -12.591 -5.862 1.00 0.70 C ATOM 469 CG1 ILE A 58 0.338 -12.959 -4.525 1.00 0.93 C ATOM 470 CG2 ILE A 58 2.490 -12.847 -5.809 1.00 1.09 C ATOM 471 CD1 ILE A 58 0.489 -14.423 -4.158 1.00 1.01 C ATOM 0 H ILE A 58 -1.301 -11.800 -6.153 1.00 0.51 H new ATOM 0 HA ILE A 58 1.267 -10.700 -5.455 1.00 0.57 H new ATOM 0 HB ILE A 58 0.551 -13.221 -6.638 1.00 0.70 H new ATOM 0 HG12 ILE A 58 0.779 -12.348 -3.737 1.00 0.93 H new ATOM 0 HG13 ILE A 58 -0.723 -12.711 -4.565 1.00 0.93 H new ATOM 0 HG21 ILE A 58 2.673 -13.890 -5.551 1.00 1.09 H new ATOM 0 HG22 ILE A 58 2.930 -12.632 -6.783 1.00 1.09 H new ATOM 0 HG23 ILE A 58 2.943 -12.202 -5.056 1.00 1.09 H new ATOM 0 HD11 ILE A 58 0.006 -14.609 -3.199 1.00 1.01 H new ATOM 0 HD12 ILE A 58 0.023 -15.041 -4.926 1.00 1.01 H new ATOM 0 HD13 ILE A 58 1.548 -14.673 -4.085 1.00 1.01 H new ATOM 483 N GLY A 59 2.315 -10.232 -7.652 1.00 0.59 N ATOM 484 CA GLY A 59 2.814 -9.793 -8.938 1.00 0.66 C ATOM 485 C GLY A 59 1.895 -8.759 -9.547 1.00 0.56 C ATOM 486 O GLY A 59 2.026 -8.394 -10.714 1.00 0.65 O ATOM 0 H GLY A 59 2.835 -9.883 -6.847 1.00 0.59 H new ATOM 0 HA2 GLY A 59 3.813 -9.374 -8.821 1.00 0.66 H new ATOM 0 HA3 GLY A 59 2.903 -10.647 -9.609 1.00 0.66 H new ATOM 490 N LYS A 60 0.956 -8.287 -8.738 1.00 0.48 N ATOM 491 CA LYS A 60 -0.038 -7.334 -9.177 1.00 0.45 C ATOM 492 C LYS A 60 0.298 -5.962 -8.634 1.00 0.38 C ATOM 493 O LYS A 60 0.659 -5.821 -7.470 1.00 0.43 O ATOM 494 CB LYS A 60 -1.418 -7.804 -8.721 1.00 0.49 C ATOM 495 CG LYS A 60 -2.497 -6.738 -8.696 1.00 0.80 C ATOM 496 CD LYS A 60 -3.868 -7.367 -8.518 1.00 1.12 C ATOM 497 CE LYS A 60 -4.176 -8.355 -9.635 1.00 1.27 C ATOM 498 NZ LYS A 60 -5.430 -9.107 -9.381 1.00 1.82 N ATOM 0 H LYS A 60 0.867 -8.558 -7.759 1.00 0.48 H new ATOM 0 HA LYS A 60 -0.045 -7.266 -10.265 1.00 0.45 H new ATOM 0 HB2 LYS A 60 -1.743 -8.610 -9.379 1.00 0.49 H new ATOM 0 HB3 LYS A 60 -1.326 -8.226 -7.720 1.00 0.49 H new ATOM 0 HG2 LYS A 60 -2.304 -6.037 -7.884 1.00 0.80 H new ATOM 0 HG3 LYS A 60 -2.471 -6.166 -9.623 1.00 0.80 H new ATOM 0 HD2 LYS A 60 -3.913 -7.878 -7.556 1.00 1.12 H new ATOM 0 HD3 LYS A 60 -4.629 -6.586 -8.501 1.00 1.12 H new ATOM 0 HE2 LYS A 60 -4.260 -7.819 -10.580 1.00 1.27 H new ATOM 0 HE3 LYS A 60 -3.347 -9.056 -9.738 1.00 1.27 H new ATOM 0 HZ1 LYS A 60 -5.785 -9.503 -10.275 1.00 1.82 H new ATOM 0 HZ2 LYS A 60 -5.242 -9.880 -8.711 1.00 1.82 H new ATOM 0 HZ3 LYS A 60 -6.144 -8.466 -8.979 1.00 1.82 H new ATOM 512 N ASN A 61 0.191 -4.958 -9.481 1.00 0.43 N ATOM 513 CA ASN A 61 0.658 -3.629 -9.130 1.00 0.42 C ATOM 514 C ASN A 61 -0.390 -2.862 -8.323 1.00 0.39 C ATOM 515 O ASN A 61 -1.488 -2.585 -8.810 1.00 0.42 O ATOM 516 CB ASN A 61 1.020 -2.853 -10.393 1.00 0.52 C ATOM 517 CG ASN A 61 1.967 -1.710 -10.109 1.00 0.58 C ATOM 518 OD1 ASN A 61 1.545 -0.610 -9.775 1.00 0.72 O ATOM 519 ND2 ASN A 61 3.255 -1.964 -10.254 1.00 0.71 N ATOM 0 H ASN A 61 -0.213 -5.035 -10.414 1.00 0.43 H new ATOM 0 HA ASN A 61 1.545 -3.738 -8.506 1.00 0.42 H new ATOM 0 HB2 ASN A 61 1.477 -3.530 -11.115 1.00 0.52 H new ATOM 0 HB3 ASN A 61 0.111 -2.464 -10.851 1.00 0.52 H new ATOM 0 HD21 ASN A 61 3.942 -1.229 -10.086 1.00 0.71 H new ATOM 0 HD22 ASN A 61 3.563 -2.895 -10.534 1.00 0.71 H new ATOM 526 N PHE A 62 -0.032 -2.516 -7.092 1.00 0.38 N ATOM 527 CA PHE A 62 -0.908 -1.762 -6.193 1.00 0.40 C ATOM 528 C PHE A 62 -1.044 -0.297 -6.631 1.00 0.47 C ATOM 529 O PHE A 62 -1.725 0.494 -5.984 1.00 0.70 O ATOM 530 CB PHE A 62 -0.352 -1.839 -4.763 1.00 0.43 C ATOM 531 CG PHE A 62 -1.248 -1.243 -3.707 1.00 0.45 C ATOM 532 CD1 PHE A 62 -0.866 -0.099 -3.020 1.00 0.51 C ATOM 533 CD2 PHE A 62 -2.469 -1.826 -3.399 1.00 0.51 C ATOM 534 CE1 PHE A 62 -1.683 0.449 -2.049 1.00 0.55 C ATOM 535 CE2 PHE A 62 -3.289 -1.281 -2.431 1.00 0.56 C ATOM 536 CZ PHE A 62 -2.897 -0.142 -1.754 1.00 0.53 C ATOM 0 H PHE A 62 0.874 -2.749 -6.685 1.00 0.38 H new ATOM 0 HA PHE A 62 -1.903 -2.206 -6.229 1.00 0.40 H new ATOM 0 HB2 PHE A 62 -0.166 -2.884 -4.515 1.00 0.43 H new ATOM 0 HB3 PHE A 62 0.611 -1.329 -4.734 1.00 0.43 H new ATOM 0 HD1 PHE A 62 0.081 0.368 -3.247 1.00 0.51 H new ATOM 0 HD2 PHE A 62 -2.782 -2.717 -3.923 1.00 0.51 H new ATOM 0 HE1 PHE A 62 -1.373 1.339 -1.521 1.00 0.55 H new ATOM 0 HE2 PHE A 62 -4.237 -1.745 -2.203 1.00 0.56 H new ATOM 0 HZ PHE A 62 -3.537 0.285 -0.997 1.00 0.53 H new ATOM 546 N PHE A 63 -0.389 0.068 -7.724 1.00 0.46 N ATOM 547 CA PHE A 63 -0.466 1.434 -8.226 1.00 0.55 C ATOM 548 C PHE A 63 -1.111 1.479 -9.608 1.00 0.66 C ATOM 549 O PHE A 63 -1.438 2.553 -10.116 1.00 0.91 O ATOM 550 CB PHE A 63 0.930 2.061 -8.289 1.00 0.57 C ATOM 551 CG PHE A 63 1.653 2.064 -6.973 1.00 0.57 C ATOM 552 CD1 PHE A 63 2.519 1.035 -6.643 1.00 0.82 C ATOM 553 CD2 PHE A 63 1.466 3.092 -6.066 1.00 0.77 C ATOM 554 CE1 PHE A 63 3.185 1.033 -5.433 1.00 1.10 C ATOM 555 CE2 PHE A 63 2.131 3.095 -4.856 1.00 1.04 C ATOM 556 CZ PHE A 63 2.991 2.065 -4.539 1.00 1.16 C ATOM 0 H PHE A 63 0.198 -0.557 -8.277 1.00 0.46 H new ATOM 0 HA PHE A 63 -1.087 2.005 -7.536 1.00 0.55 H new ATOM 0 HB2 PHE A 63 1.529 1.519 -9.021 1.00 0.57 H new ATOM 0 HB3 PHE A 63 0.842 3.087 -8.647 1.00 0.57 H new ATOM 0 HD1 PHE A 63 2.675 0.225 -7.340 1.00 0.82 H new ATOM 0 HD2 PHE A 63 0.792 3.901 -6.307 1.00 0.77 H new ATOM 0 HE1 PHE A 63 3.857 0.224 -5.187 1.00 1.10 H new ATOM 0 HE2 PHE A 63 1.977 3.904 -4.158 1.00 1.04 H new ATOM 0 HZ PHE A 63 3.512 2.066 -3.593 1.00 1.16 H new ATOM 566 N LYS A 64 -1.307 0.311 -10.211 1.00 0.57 N ATOM 567 CA LYS A 64 -1.759 0.242 -11.587 1.00 0.72 C ATOM 568 C LYS A 64 -2.868 -0.788 -11.793 1.00 0.72 C ATOM 569 O LYS A 64 -3.807 -0.552 -12.554 1.00 0.90 O ATOM 570 CB LYS A 64 -0.570 -0.076 -12.475 1.00 0.82 C ATOM 571 CG LYS A 64 0.431 1.065 -12.543 1.00 1.56 C ATOM 572 CD LYS A 64 1.694 0.659 -13.268 1.00 2.11 C ATOM 573 CE LYS A 64 2.719 1.780 -13.249 1.00 2.85 C ATOM 574 NZ LYS A 64 4.015 1.367 -13.846 1.00 3.58 N ATOM 0 H LYS A 64 -1.159 -0.595 -9.766 1.00 0.57 H new ATOM 0 HA LYS A 64 -2.186 1.209 -11.852 1.00 0.72 H new ATOM 0 HB2 LYS A 64 -0.071 -0.970 -12.101 1.00 0.82 H new ATOM 0 HB3 LYS A 64 -0.923 -0.305 -13.480 1.00 0.82 H new ATOM 0 HG2 LYS A 64 -0.022 1.917 -13.050 1.00 1.56 H new ATOM 0 HG3 LYS A 64 0.680 1.391 -11.533 1.00 1.56 H new ATOM 0 HD2 LYS A 64 2.115 -0.231 -12.801 1.00 2.11 H new ATOM 0 HD3 LYS A 64 1.457 0.396 -14.299 1.00 2.11 H new ATOM 0 HE2 LYS A 64 2.327 2.638 -13.795 1.00 2.85 H new ATOM 0 HE3 LYS A 64 2.881 2.104 -12.221 1.00 2.85 H new ATOM 0 HZ1 LYS A 64 4.683 2.164 -13.811 1.00 3.58 H new ATOM 0 HZ2 LYS A 64 4.404 0.565 -13.310 1.00 3.58 H new ATOM 0 HZ3 LYS A 64 3.867 1.083 -14.835 1.00 3.58 H new ATOM 588 N ASP A 65 -2.771 -1.925 -11.115 1.00 0.60 N ATOM 589 CA ASP A 65 -3.713 -3.016 -11.338 1.00 0.69 C ATOM 590 C ASP A 65 -4.919 -2.922 -10.417 1.00 0.74 C ATOM 591 O ASP A 65 -5.934 -2.324 -10.769 1.00 1.10 O ATOM 592 CB ASP A 65 -3.042 -4.377 -11.149 1.00 0.79 C ATOM 593 CG ASP A 65 -2.132 -4.756 -12.296 1.00 1.38 C ATOM 594 OD1 ASP A 65 -2.645 -4.995 -13.408 1.00 1.50 O ATOM 595 OD2 ASP A 65 -0.900 -4.794 -12.093 1.00 2.20 O ATOM 0 H ASP A 65 -2.057 -2.115 -10.412 1.00 0.60 H new ATOM 0 HA ASP A 65 -4.054 -2.922 -12.369 1.00 0.69 H new ATOM 0 HB2 ASP A 65 -2.465 -4.365 -10.224 1.00 0.79 H new ATOM 0 HB3 ASP A 65 -3.811 -5.141 -11.035 1.00 0.79 H new ATOM 600 N VAL A 66 -4.798 -3.500 -9.229 1.00 0.70 N ATOM 601 CA VAL A 66 -5.929 -3.581 -8.308 1.00 0.82 C ATOM 602 C VAL A 66 -6.092 -2.287 -7.497 1.00 0.70 C ATOM 603 O VAL A 66 -6.817 -2.227 -6.501 1.00 0.80 O ATOM 604 CB VAL A 66 -5.782 -4.630 -7.509 1.00 1.05 C ATOM 605 CG1 VAL A 66 -4.717 -4.385 -6.439 1.00 1.45 C ATOM 606 CG2 VAL A 66 -7.102 -5.074 -6.899 1.00 1.77 C ATOM 0 H VAL A 66 -3.935 -3.918 -8.880 1.00 0.70 H new ATOM 0 HA VAL A 66 -6.840 -3.707 -8.893 1.00 0.82 H new ATOM 0 HB VAL A 66 -5.429 -5.452 -8.131 1.00 1.05 H new ATOM 0 HG11 VAL A 66 -4.628 -5.268 -5.806 1.00 1.45 H new ATOM 0 HG12 VAL A 66 -3.759 -4.184 -6.918 1.00 1.45 H new ATOM 0 HG13 VAL A 66 -5.004 -3.529 -5.829 1.00 1.45 H new ATOM 0 HG21 VAL A 66 -6.933 -5.935 -6.253 1.00 1.77 H new ATOM 0 HG22 VAL A 66 -7.525 -4.258 -6.313 1.00 1.77 H new ATOM 0 HG23 VAL A 66 -7.796 -5.348 -7.694 1.00 1.77 H new ATOM 616 N ALA A 67 -5.422 -1.248 -7.958 1.00 0.56 N ATOM 617 CA ALA A 67 -5.471 0.057 -7.312 1.00 0.53 C ATOM 618 C ALA A 67 -4.772 1.102 -8.169 1.00 0.49 C ATOM 619 O ALA A 67 -3.585 1.337 -8.010 1.00 0.61 O ATOM 620 CB ALA A 67 -4.830 0.000 -5.930 1.00 0.60 C ATOM 0 H ALA A 67 -4.829 -1.281 -8.788 1.00 0.56 H new ATOM 0 HA ALA A 67 -6.518 0.339 -7.197 1.00 0.53 H new ATOM 0 HB1 ALA A 67 -4.878 0.985 -5.466 1.00 0.60 H new ATOM 0 HB2 ALA A 67 -5.365 -0.719 -5.310 1.00 0.60 H new ATOM 0 HB3 ALA A 67 -3.788 -0.307 -6.024 1.00 0.60 H new ATOM 626 N PRO A 68 -5.482 1.714 -9.124 1.00 0.44 N ATOM 627 CA PRO A 68 -4.904 2.725 -9.998 1.00 0.47 C ATOM 628 C PRO A 68 -5.045 4.151 -9.462 1.00 0.55 C ATOM 629 O PRO A 68 -4.674 5.107 -10.143 1.00 0.81 O ATOM 630 CB PRO A 68 -5.717 2.551 -11.276 1.00 0.56 C ATOM 631 CG PRO A 68 -7.071 2.119 -10.810 1.00 0.69 C ATOM 632 CD PRO A 68 -6.887 1.442 -9.468 1.00 0.47 C ATOM 0 HA PRO A 68 -3.828 2.595 -10.116 1.00 0.47 H new ATOM 0 HB2 PRO A 68 -5.771 3.482 -11.841 1.00 0.56 H new ATOM 0 HB3 PRO A 68 -5.268 1.806 -11.932 1.00 0.56 H new ATOM 0 HG2 PRO A 68 -7.739 2.976 -10.720 1.00 0.69 H new ATOM 0 HG3 PRO A 68 -7.525 1.435 -11.527 1.00 0.69 H new ATOM 0 HD2 PRO A 68 -7.567 1.848 -8.719 1.00 0.47 H new ATOM 0 HD3 PRO A 68 -7.083 0.372 -9.530 1.00 0.47 H new ATOM 640 N CYS A 69 -5.581 4.305 -8.250 1.00 0.51 N ATOM 641 CA CYS A 69 -5.750 5.639 -7.678 1.00 0.61 C ATOM 642 C CYS A 69 -4.461 6.086 -6.998 1.00 0.59 C ATOM 643 O CYS A 69 -4.101 7.256 -7.099 1.00 0.81 O ATOM 644 CB CYS A 69 -6.931 5.706 -6.687 1.00 0.85 C ATOM 645 SG CYS A 69 -6.617 5.029 -5.016 1.00 0.81 S ATOM 0 H CYS A 69 -5.899 3.539 -7.657 1.00 0.51 H new ATOM 0 HA CYS A 69 -5.981 6.318 -8.499 1.00 0.61 H new ATOM 0 HB2 CYS A 69 -7.234 6.748 -6.584 1.00 0.85 H new ATOM 0 HB3 CYS A 69 -7.775 5.170 -7.122 1.00 0.85 H new ATOM 650 N THR A 70 -3.598 5.106 -6.771 1.00 0.61 N ATOM 651 CA THR A 70 -2.525 5.218 -5.798 1.00 0.58 C ATOM 652 C THR A 70 -1.282 5.841 -6.423 1.00 0.55 C ATOM 653 O THR A 70 -0.613 6.672 -5.802 1.00 0.64 O ATOM 654 CB THR A 70 -2.225 4.029 -5.337 1.00 0.63 C ATOM 655 OG1 THR A 70 -2.200 3.100 -6.429 1.00 1.33 O ATOM 656 CG2 THR A 70 -3.218 3.574 -4.279 1.00 1.07 C ATOM 0 H THR A 70 -3.624 4.210 -7.258 1.00 0.61 H new ATOM 0 HA THR A 70 -2.866 5.860 -4.986 1.00 0.58 H new ATOM 0 HB THR A 70 -1.244 4.074 -4.863 1.00 0.63 H new ATOM 0 HG1 THR A 70 -2.173 2.185 -6.079 1.00 1.33 H new ATOM 0 HG21 THR A 70 -2.938 2.584 -3.919 1.00 1.07 H new ATOM 0 HG22 THR A 70 -3.211 4.278 -3.447 1.00 1.07 H new ATOM 0 HG23 THR A 70 -4.218 3.534 -4.712 1.00 1.07 H new ATOM 664 N ASP A 71 -0.996 5.452 -7.667 1.00 0.55 N ATOM 665 CA ASP A 71 0.143 5.989 -8.414 1.00 0.63 C ATOM 666 C ASP A 71 0.123 7.512 -8.409 1.00 0.70 C ATOM 667 O ASP A 71 -0.720 8.135 -9.055 1.00 0.88 O ATOM 668 CB ASP A 71 0.125 5.467 -9.854 1.00 0.76 C ATOM 669 CG ASP A 71 1.180 6.115 -10.727 1.00 0.96 C ATOM 670 OD1 ASP A 71 0.831 6.624 -11.813 1.00 1.85 O ATOM 671 OD2 ASP A 71 2.361 6.137 -10.319 1.00 1.34 O ATOM 0 H ASP A 71 -1.542 4.761 -8.182 1.00 0.55 H new ATOM 0 HA ASP A 71 1.059 5.655 -7.927 1.00 0.63 H new ATOM 0 HB2 ASP A 71 0.279 4.388 -9.846 1.00 0.76 H new ATOM 0 HB3 ASP A 71 -0.859 5.645 -10.288 1.00 0.76 H new ATOM 676 N SER A 72 1.051 8.104 -7.668 1.00 0.66 N ATOM 677 CA SER A 72 1.071 9.548 -7.463 1.00 0.77 C ATOM 678 C SER A 72 2.445 9.983 -6.978 1.00 0.76 C ATOM 679 O SER A 72 3.130 9.224 -6.294 1.00 0.71 O ATOM 680 CB SER A 72 0.015 9.968 -6.426 1.00 0.88 C ATOM 681 OG SER A 72 -1.289 9.578 -6.813 1.00 1.56 O ATOM 0 H SER A 72 1.804 7.604 -7.196 1.00 0.66 H new ATOM 0 HA SER A 72 0.844 10.029 -8.414 1.00 0.77 H new ATOM 0 HB2 SER A 72 0.256 9.522 -5.461 1.00 0.88 H new ATOM 0 HB3 SER A 72 0.046 11.049 -6.294 1.00 0.88 H new ATOM 0 HG SER A 72 -1.798 9.306 -6.021 1.00 1.56 H new ATOM 687 N PRO A 73 2.870 11.210 -7.309 1.00 0.90 N ATOM 688 CA PRO A 73 4.128 11.766 -6.807 1.00 0.99 C ATOM 689 C PRO A 73 4.122 11.872 -5.284 1.00 0.96 C ATOM 690 O PRO A 73 5.168 11.820 -4.639 1.00 1.05 O ATOM 691 CB PRO A 73 4.195 13.160 -7.443 1.00 1.13 C ATOM 692 CG PRO A 73 3.261 13.101 -8.603 1.00 1.17 C ATOM 693 CD PRO A 73 2.174 12.143 -8.209 1.00 1.05 C ATOM 0 HA PRO A 73 4.985 11.140 -7.058 1.00 0.99 H new ATOM 0 HB2 PRO A 73 3.895 13.932 -6.734 1.00 1.13 H new ATOM 0 HB3 PRO A 73 5.209 13.399 -7.764 1.00 1.13 H new ATOM 0 HG2 PRO A 73 2.851 14.086 -8.825 1.00 1.17 H new ATOM 0 HG3 PRO A 73 3.775 12.760 -9.501 1.00 1.17 H new ATOM 0 HD2 PRO A 73 1.350 12.651 -7.707 1.00 1.05 H new ATOM 0 HD3 PRO A 73 1.753 11.631 -9.074 1.00 1.05 H new ATOM 701 N GLU A 74 2.924 11.992 -4.715 1.00 0.91 N ATOM 702 CA GLU A 74 2.772 12.156 -3.276 1.00 0.96 C ATOM 703 C GLU A 74 2.475 10.827 -2.578 1.00 0.93 C ATOM 704 O GLU A 74 2.286 10.787 -1.364 1.00 1.25 O ATOM 705 CB GLU A 74 1.657 13.156 -2.981 1.00 1.07 C ATOM 706 CG GLU A 74 0.285 12.701 -3.448 1.00 0.90 C ATOM 707 CD GLU A 74 -0.795 13.703 -3.112 1.00 1.59 C ATOM 708 OE1 GLU A 74 -1.180 13.790 -1.928 1.00 2.56 O ATOM 709 OE2 GLU A 74 -1.255 14.414 -4.031 1.00 1.58 O ATOM 0 H GLU A 74 2.045 11.978 -5.232 1.00 0.91 H new ATOM 0 HA GLU A 74 3.718 12.532 -2.885 1.00 0.96 H new ATOM 0 HB2 GLU A 74 1.622 13.341 -1.907 1.00 1.07 H new ATOM 0 HB3 GLU A 74 1.897 14.105 -3.460 1.00 1.07 H new ATOM 0 HG2 GLU A 74 0.305 12.539 -4.526 1.00 0.90 H new ATOM 0 HG3 GLU A 74 0.045 11.743 -2.986 1.00 0.90 H new ATOM 716 N PHE A 75 2.425 9.746 -3.340 1.00 0.80 N ATOM 717 CA PHE A 75 2.202 8.428 -2.761 1.00 0.79 C ATOM 718 C PHE A 75 3.289 7.476 -3.228 1.00 0.66 C ATOM 719 O PHE A 75 4.161 7.103 -2.455 1.00 0.66 O ATOM 720 CB PHE A 75 0.818 7.885 -3.130 1.00 0.87 C ATOM 721 CG PHE A 75 0.463 6.601 -2.423 1.00 1.53 C ATOM 722 CD1 PHE A 75 0.428 5.398 -3.107 1.00 2.26 C ATOM 723 CD2 PHE A 75 0.170 6.601 -1.070 1.00 1.74 C ATOM 724 CE1 PHE A 75 0.105 4.222 -2.454 1.00 3.20 C ATOM 725 CE2 PHE A 75 -0.155 5.430 -0.414 1.00 2.61 C ATOM 726 CZ PHE A 75 -0.187 4.239 -1.106 1.00 3.36 C ATOM 0 H PHE A 75 2.535 9.753 -4.354 1.00 0.80 H new ATOM 0 HA PHE A 75 2.242 8.516 -1.675 1.00 0.79 H new ATOM 0 HB2 PHE A 75 0.067 8.639 -2.894 1.00 0.87 H new ATOM 0 HB3 PHE A 75 0.777 7.720 -4.207 1.00 0.87 H new ATOM 0 HD1 PHE A 75 0.655 5.377 -4.163 1.00 2.26 H new ATOM 0 HD2 PHE A 75 0.196 7.530 -0.520 1.00 1.74 H new ATOM 0 HE1 PHE A 75 0.081 3.290 -3.000 1.00 3.20 H new ATOM 0 HE2 PHE A 75 -0.384 5.448 0.641 1.00 2.61 H new ATOM 0 HZ PHE A 75 -0.440 3.322 -0.595 1.00 3.36 H new ATOM 736 N TYR A 76 3.246 7.117 -4.503 1.00 0.59 N ATOM 737 CA TYR A 76 4.275 6.285 -5.108 1.00 0.50 C ATOM 738 C TYR A 76 5.629 6.993 -5.037 1.00 0.47 C ATOM 739 O TYR A 76 6.653 6.366 -4.784 1.00 0.49 O ATOM 740 CB TYR A 76 3.896 5.970 -6.561 1.00 0.51 C ATOM 741 CG TYR A 76 4.904 5.117 -7.307 1.00 0.49 C ATOM 742 CD1 TYR A 76 5.604 5.627 -8.391 1.00 0.58 C ATOM 743 CD2 TYR A 76 5.152 3.803 -6.927 1.00 0.51 C ATOM 744 CE1 TYR A 76 6.524 4.855 -9.075 1.00 0.66 C ATOM 745 CE2 TYR A 76 6.070 3.024 -7.607 1.00 0.59 C ATOM 746 CZ TYR A 76 6.753 3.555 -8.680 1.00 0.65 C ATOM 747 OH TYR A 76 7.679 2.788 -9.355 1.00 0.79 O ATOM 0 H TYR A 76 2.502 7.392 -5.144 1.00 0.59 H new ATOM 0 HA TYR A 76 4.353 5.346 -4.559 1.00 0.50 H new ATOM 0 HB2 TYR A 76 2.932 5.460 -6.569 1.00 0.51 H new ATOM 0 HB3 TYR A 76 3.765 6.908 -7.100 1.00 0.51 H new ATOM 0 HD1 TYR A 76 5.427 6.645 -8.706 1.00 0.58 H new ATOM 0 HD2 TYR A 76 4.619 3.384 -6.087 1.00 0.51 H new ATOM 0 HE1 TYR A 76 7.061 5.269 -9.916 1.00 0.66 H new ATOM 0 HE2 TYR A 76 6.251 2.005 -7.299 1.00 0.59 H new ATOM 0 HH TYR A 76 7.722 1.896 -8.951 1.00 0.79 H new ATOM 757 N GLY A 77 5.617 8.307 -5.237 1.00 0.48 N ATOM 758 CA GLY A 77 6.840 9.091 -5.149 1.00 0.50 C ATOM 759 C GLY A 77 7.448 9.075 -3.754 1.00 0.52 C ATOM 760 O GLY A 77 8.667 9.082 -3.599 1.00 0.60 O ATOM 0 H GLY A 77 4.780 8.846 -5.459 1.00 0.48 H new ATOM 0 HA2 GLY A 77 7.567 8.704 -5.862 1.00 0.50 H new ATOM 0 HA3 GLY A 77 6.628 10.121 -5.437 1.00 0.50 H new ATOM 764 N LYS A 78 6.594 9.047 -2.737 1.00 0.53 N ATOM 765 CA LYS A 78 7.051 8.967 -1.353 1.00 0.60 C ATOM 766 C LYS A 78 7.404 7.525 -1.000 1.00 0.59 C ATOM 767 O LYS A 78 8.296 7.264 -0.193 1.00 0.66 O ATOM 768 CB LYS A 78 5.979 9.504 -0.403 1.00 0.69 C ATOM 769 CG LYS A 78 5.883 11.021 -0.381 1.00 0.77 C ATOM 770 CD LYS A 78 4.670 11.495 0.401 1.00 1.17 C ATOM 771 CE LYS A 78 4.617 13.010 0.491 1.00 1.41 C ATOM 772 NZ LYS A 78 3.380 13.484 1.172 1.00 2.09 N ATOM 0 H LYS A 78 5.580 9.079 -2.844 1.00 0.53 H new ATOM 0 HA LYS A 78 7.944 9.582 -1.244 1.00 0.60 H new ATOM 0 HB2 LYS A 78 5.012 9.092 -0.691 1.00 0.69 H new ATOM 0 HB3 LYS A 78 6.189 9.148 0.606 1.00 0.69 H new ATOM 0 HG2 LYS A 78 6.788 11.437 0.063 1.00 0.77 H new ATOM 0 HG3 LYS A 78 5.827 11.397 -1.403 1.00 0.77 H new ATOM 0 HD2 LYS A 78 3.762 11.127 -0.077 1.00 1.17 H new ATOM 0 HD3 LYS A 78 4.696 11.071 1.405 1.00 1.17 H new ATOM 0 HE2 LYS A 78 5.491 13.372 1.033 1.00 1.41 H new ATOM 0 HE3 LYS A 78 4.665 13.435 -0.512 1.00 1.41 H new ATOM 0 HZ1 LYS A 78 3.383 14.523 1.213 1.00 2.09 H new ATOM 0 HZ2 LYS A 78 2.546 13.160 0.642 1.00 2.09 H new ATOM 0 HZ3 LYS A 78 3.346 13.100 2.138 1.00 2.09 H new ATOM 786 N PHE A 79 6.699 6.599 -1.628 1.00 0.52 N ATOM 787 CA PHE A 79 6.982 5.172 -1.511 1.00 0.50 C ATOM 788 C PHE A 79 8.384 4.865 -2.025 1.00 0.51 C ATOM 789 O PHE A 79 9.071 3.975 -1.531 1.00 0.56 O ATOM 790 CB PHE A 79 5.938 4.395 -2.314 1.00 0.48 C ATOM 791 CG PHE A 79 6.159 2.915 -2.347 1.00 0.51 C ATOM 792 CD1 PHE A 79 5.997 2.157 -1.202 1.00 0.62 C ATOM 793 CD2 PHE A 79 6.524 2.285 -3.522 1.00 0.53 C ATOM 794 CE1 PHE A 79 6.197 0.794 -1.229 1.00 0.67 C ATOM 795 CE2 PHE A 79 6.726 0.925 -3.554 1.00 0.61 C ATOM 796 CZ PHE A 79 6.577 0.181 -2.411 1.00 0.65 C ATOM 0 H PHE A 79 5.910 6.814 -2.237 1.00 0.52 H new ATOM 0 HA PHE A 79 6.934 4.874 -0.464 1.00 0.50 H new ATOM 0 HB2 PHE A 79 4.952 4.594 -1.893 1.00 0.48 H new ATOM 0 HB3 PHE A 79 5.930 4.772 -3.337 1.00 0.48 H new ATOM 0 HD1 PHE A 79 5.711 2.638 -0.278 1.00 0.62 H new ATOM 0 HD2 PHE A 79 6.652 2.866 -4.423 1.00 0.53 H new ATOM 0 HE1 PHE A 79 6.058 0.207 -0.333 1.00 0.67 H new ATOM 0 HE2 PHE A 79 7.002 0.442 -4.480 1.00 0.61 H new ATOM 0 HZ PHE A 79 6.756 -0.884 -2.433 1.00 0.65 H new ATOM 806 N LYS A 80 8.800 5.635 -3.010 1.00 0.51 N ATOM 807 CA LYS A 80 10.094 5.445 -3.651 1.00 0.58 C ATOM 808 C LYS A 80 11.144 6.364 -3.038 1.00 0.63 C ATOM 809 O LYS A 80 12.327 6.272 -3.365 1.00 0.66 O ATOM 810 CB LYS A 80 9.991 5.692 -5.164 1.00 0.64 C ATOM 811 CG LYS A 80 8.954 4.813 -5.857 1.00 0.69 C ATOM 812 CD LYS A 80 9.146 3.342 -5.515 1.00 0.72 C ATOM 813 CE LYS A 80 10.380 2.748 -6.178 1.00 0.93 C ATOM 814 NZ LYS A 80 10.180 2.528 -7.635 1.00 1.09 N ATOM 0 H LYS A 80 8.256 6.409 -3.391 1.00 0.51 H new ATOM 0 HA LYS A 80 10.402 4.412 -3.487 1.00 0.58 H new ATOM 0 HB2 LYS A 80 9.741 6.739 -5.337 1.00 0.64 H new ATOM 0 HB3 LYS A 80 10.966 5.517 -5.619 1.00 0.64 H new ATOM 0 HG2 LYS A 80 7.953 5.128 -5.561 1.00 0.69 H new ATOM 0 HG3 LYS A 80 9.025 4.948 -6.936 1.00 0.69 H new ATOM 0 HD2 LYS A 80 9.229 3.231 -4.434 1.00 0.72 H new ATOM 0 HD3 LYS A 80 8.264 2.781 -5.826 1.00 0.72 H new ATOM 0 HE2 LYS A 80 11.229 3.414 -6.025 1.00 0.93 H new ATOM 0 HE3 LYS A 80 10.628 1.801 -5.699 1.00 0.93 H new ATOM 0 HZ1 LYS A 80 10.397 1.538 -7.870 1.00 1.09 H new ATOM 0 HZ2 LYS A 80 9.192 2.735 -7.885 1.00 1.09 H new ATOM 0 HZ3 LYS A 80 10.811 3.157 -8.171 1.00 1.09 H new ATOM 828 N GLU A 81 10.701 7.235 -2.138 1.00 0.67 N ATOM 829 CA GLU A 81 11.583 8.198 -1.487 1.00 0.78 C ATOM 830 C GLU A 81 12.689 7.483 -0.717 1.00 0.67 C ATOM 831 O GLU A 81 13.876 7.746 -0.916 1.00 0.70 O ATOM 832 CB GLU A 81 10.766 9.088 -0.544 1.00 0.94 C ATOM 833 CG GLU A 81 11.583 10.136 0.192 1.00 1.25 C ATOM 834 CD GLU A 81 12.234 11.132 -0.743 1.00 1.57 C ATOM 835 OE1 GLU A 81 11.554 12.089 -1.163 1.00 2.07 O ATOM 836 OE2 GLU A 81 13.432 10.968 -1.048 1.00 2.04 O ATOM 0 H GLU A 81 9.727 7.294 -1.840 1.00 0.67 H new ATOM 0 HA GLU A 81 12.051 8.819 -2.251 1.00 0.78 H new ATOM 0 HB2 GLU A 81 9.988 9.589 -1.120 1.00 0.94 H new ATOM 0 HB3 GLU A 81 10.263 8.456 0.188 1.00 0.94 H new ATOM 0 HG2 GLU A 81 10.938 10.668 0.891 1.00 1.25 H new ATOM 0 HG3 GLU A 81 12.354 9.641 0.783 1.00 1.25 H new ATOM 843 N GLY A 82 12.292 6.559 0.144 1.00 0.62 N ATOM 844 CA GLY A 82 13.259 5.822 0.932 1.00 0.62 C ATOM 845 C GLY A 82 14.024 4.813 0.103 1.00 0.62 C ATOM 846 O GLY A 82 15.165 4.485 0.413 1.00 0.72 O ATOM 0 H GLY A 82 11.318 6.306 0.312 1.00 0.62 H new ATOM 0 HA2 GLY A 82 13.960 6.520 1.389 1.00 0.62 H new ATOM 0 HA3 GLY A 82 12.746 5.308 1.745 1.00 0.62 H new ATOM 850 N VAL A 83 13.392 4.330 -0.957 1.00 0.58 N ATOM 851 CA VAL A 83 14.007 3.356 -1.852 1.00 0.66 C ATOM 852 C VAL A 83 15.220 3.958 -2.557 1.00 0.73 C ATOM 853 O VAL A 83 16.328 3.425 -2.472 1.00 0.85 O ATOM 854 CB VAL A 83 13.142 2.938 -2.767 1.00 0.68 C ATOM 855 CG1 VAL A 83 13.746 1.831 -3.626 1.00 0.83 C ATOM 856 CG2 VAL A 83 11.849 2.468 -2.126 1.00 0.65 C ATOM 0 H VAL A 83 12.444 4.599 -1.221 1.00 0.58 H new ATOM 0 HA VAL A 83 14.323 2.510 -1.242 1.00 0.66 H new ATOM 0 HB VAL A 83 12.911 3.785 -3.413 1.00 0.68 H new ATOM 0 HG11 VAL A 83 13.016 1.507 -4.368 1.00 0.83 H new ATOM 0 HG12 VAL A 83 14.635 2.207 -4.132 1.00 0.83 H new ATOM 0 HG13 VAL A 83 14.019 0.987 -2.993 1.00 0.83 H new ATOM 0 HG21 VAL A 83 11.160 2.132 -2.901 1.00 0.65 H new ATOM 0 HG22 VAL A 83 12.059 1.644 -1.445 1.00 0.65 H new ATOM 0 HG23 VAL A 83 11.398 3.291 -1.572 1.00 0.65 H new ATOM 866 N ALA A 84 15.004 5.092 -3.222 1.00 0.70 N ATOM 867 CA ALA A 84 16.064 5.763 -3.962 1.00 0.81 C ATOM 868 C ALA A 84 17.161 6.233 -3.017 1.00 0.92 C ATOM 869 O ALA A 84 18.331 6.313 -3.392 1.00 1.14 O ATOM 870 CB ALA A 84 15.503 6.931 -4.758 1.00 0.85 C ATOM 0 H ALA A 84 14.101 5.564 -3.262 1.00 0.70 H new ATOM 0 HA ALA A 84 16.499 5.050 -4.662 1.00 0.81 H new ATOM 0 HB1 ALA A 84 16.310 7.420 -5.304 1.00 0.85 H new ATOM 0 HB2 ALA A 84 14.757 6.566 -5.463 1.00 0.85 H new ATOM 0 HB3 ALA A 84 15.040 7.646 -4.078 1.00 0.85 H new ATOM 876 N SER A 85 16.770 6.535 -1.788 1.00 0.92 N ATOM 877 CA SER A 85 17.717 6.905 -0.753 1.00 1.12 C ATOM 878 C SER A 85 18.477 5.668 -0.271 1.00 1.16 C ATOM 879 O SER A 85 19.562 5.354 -0.766 1.00 1.40 O ATOM 880 CB SER A 85 16.979 7.575 0.411 1.00 1.38 C ATOM 881 OG SER A 85 16.308 8.750 -0.019 1.00 1.82 O ATOM 0 H SER A 85 15.796 6.530 -1.484 1.00 0.92 H new ATOM 0 HA SER A 85 18.438 7.613 -1.161 1.00 1.12 H new ATOM 0 HB2 SER A 85 16.259 6.877 0.839 1.00 1.38 H new ATOM 0 HB3 SER A 85 17.688 7.825 1.200 1.00 1.38 H new ATOM 0 HG SER A 85 15.416 8.515 -0.349 1.00 1.82 H new ATOM 887 N GLY A 86 17.896 4.963 0.685 1.00 1.12 N ATOM 888 CA GLY A 86 18.510 3.762 1.212 1.00 1.47 C ATOM 889 C GLY A 86 17.539 2.993 2.076 1.00 1.35 C ATOM 890 O GLY A 86 17.148 1.867 1.760 1.00 1.65 O ATOM 0 H GLY A 86 17.001 5.204 1.110 1.00 1.12 H new ATOM 0 HA2 GLY A 86 18.849 3.132 0.390 1.00 1.47 H new ATOM 0 HA3 GLY A 86 19.392 4.026 1.796 1.00 1.47 H new ATOM 894 N ASN A 87 17.148 3.626 3.170 1.00 1.30 N ATOM 895 CA ASN A 87 16.171 3.064 4.086 1.00 1.28 C ATOM 896 C ASN A 87 14.774 3.533 3.715 1.00 0.81 C ATOM 897 O ASN A 87 14.549 4.718 3.473 1.00 1.19 O ATOM 898 CB ASN A 87 16.496 3.466 5.532 1.00 1.94 C ATOM 899 CG ASN A 87 16.757 4.957 5.687 1.00 2.79 C ATOM 900 OD1 ASN A 87 17.899 5.409 5.602 1.00 3.50 O ATOM 901 ND2 ASN A 87 15.705 5.733 5.897 1.00 3.16 N ATOM 0 H ASN A 87 17.499 4.543 3.447 1.00 1.30 H new ATOM 0 HA ASN A 87 16.211 1.977 4.010 1.00 1.28 H new ATOM 0 HB2 ASN A 87 15.667 3.178 6.179 1.00 1.94 H new ATOM 0 HB3 ASN A 87 17.372 2.912 5.870 1.00 1.94 H new ATOM 0 HD21 ASN A 87 15.826 6.741 5.994 1.00 3.16 H new ATOM 0 HD22 ASN A 87 14.773 5.323 5.962 1.00 3.16 H new ATOM 908 N LEU A 88 13.840 2.603 3.662 1.00 0.61 N ATOM 909 CA LEU A 88 12.463 2.926 3.345 1.00 0.75 C ATOM 910 C LEU A 88 11.612 2.740 4.593 1.00 0.56 C ATOM 911 O LEU A 88 11.364 1.614 5.023 1.00 1.00 O ATOM 912 CB LEU A 88 11.961 2.054 2.176 1.00 1.61 C ATOM 913 CG LEU A 88 10.593 2.426 1.576 1.00 2.22 C ATOM 914 CD1 LEU A 88 9.454 1.854 2.402 1.00 2.96 C ATOM 915 CD2 LEU A 88 10.446 3.935 1.459 1.00 2.90 C ATOM 0 H LEU A 88 14.012 1.613 3.835 1.00 0.61 H new ATOM 0 HA LEU A 88 12.388 3.965 3.025 1.00 0.75 H new ATOM 0 HB2 LEU A 88 12.704 2.092 1.379 1.00 1.61 H new ATOM 0 HB3 LEU A 88 11.913 1.020 2.518 1.00 1.61 H new ATOM 0 HG LEU A 88 10.544 1.990 0.578 1.00 2.22 H new ATOM 0 HD11 LEU A 88 8.502 2.134 1.952 1.00 2.96 H new ATOM 0 HD12 LEU A 88 9.536 0.767 2.431 1.00 2.96 H new ATOM 0 HD13 LEU A 88 9.506 2.249 3.417 1.00 2.96 H new ATOM 0 HD21 LEU A 88 9.472 4.174 1.033 1.00 2.90 H new ATOM 0 HD22 LEU A 88 10.530 4.386 2.448 1.00 2.90 H new ATOM 0 HD23 LEU A 88 11.231 4.328 0.813 1.00 2.90 H new ATOM 927 N ASN A 89 11.218 3.845 5.198 1.00 0.54 N ATOM 928 CA ASN A 89 10.406 3.806 6.406 1.00 0.47 C ATOM 929 C ASN A 89 9.781 5.162 6.675 1.00 0.59 C ATOM 930 O ASN A 89 9.953 5.752 7.742 1.00 0.97 O ATOM 931 CB ASN A 89 11.226 3.336 7.620 1.00 0.50 C ATOM 932 CG ASN A 89 12.426 4.223 7.940 1.00 1.31 C ATOM 933 OD1 ASN A 89 13.066 4.789 7.051 1.00 2.24 O ATOM 934 ND2 ASN A 89 12.736 4.345 9.220 1.00 1.82 N ATOM 0 H ASN A 89 11.446 4.785 4.874 1.00 0.54 H new ATOM 0 HA ASN A 89 9.607 3.082 6.245 1.00 0.47 H new ATOM 0 HB2 ASN A 89 10.574 3.296 8.492 1.00 0.50 H new ATOM 0 HB3 ASN A 89 11.577 2.320 7.437 1.00 0.50 H new ATOM 0 HD21 ASN A 89 13.528 4.923 9.500 1.00 1.82 H new ATOM 0 HD22 ASN A 89 12.183 3.861 9.927 1.00 1.82 H new ATOM 941 N THR A 90 9.021 5.636 5.710 1.00 0.51 N ATOM 942 CA THR A 90 8.377 6.922 5.832 1.00 0.61 C ATOM 943 C THR A 90 6.889 6.749 6.125 1.00 0.53 C ATOM 944 O THR A 90 6.307 5.688 5.869 1.00 0.51 O ATOM 945 CB THR A 90 8.563 7.670 4.747 1.00 0.75 C ATOM 946 OG1 THR A 90 8.117 9.016 4.983 1.00 1.63 O ATOM 947 CG2 THR A 90 7.852 7.102 3.523 1.00 1.39 C ATOM 0 H THR A 90 8.836 5.148 4.834 1.00 0.51 H new ATOM 0 HA THR A 90 8.837 7.446 6.670 1.00 0.61 H new ATOM 0 HB THR A 90 9.633 7.668 4.540 1.00 0.75 H new ATOM 0 HG1 THR A 90 8.262 9.555 4.177 1.00 1.63 H new ATOM 0 HG21 THR A 90 8.034 7.748 2.664 1.00 1.39 H new ATOM 0 HG22 THR A 90 8.232 6.102 3.313 1.00 1.39 H new ATOM 0 HG23 THR A 90 6.781 7.049 3.716 1.00 1.39 H new ATOM 955 N MET A 91 6.308 7.760 6.740 1.00 0.55 N ATOM 956 CA MET A 91 4.889 7.769 7.046 1.00 0.51 C ATOM 957 C MET A 91 4.257 9.062 6.550 1.00 0.57 C ATOM 958 O MET A 91 4.706 10.155 6.892 1.00 0.75 O ATOM 959 CB MET A 91 4.639 7.592 8.555 1.00 0.60 C ATOM 960 CG MET A 91 5.145 8.731 9.437 1.00 1.14 C ATOM 961 SD MET A 91 6.943 8.879 9.453 1.00 1.61 S ATOM 962 CE MET A 91 7.153 10.264 10.572 1.00 1.77 C ATOM 0 H MET A 91 6.805 8.598 7.042 1.00 0.55 H new ATOM 0 HA MET A 91 4.426 6.926 6.533 1.00 0.51 H new ATOM 0 HB2 MET A 91 3.568 7.476 8.718 1.00 0.60 H new ATOM 0 HB3 MET A 91 5.113 6.665 8.879 1.00 0.60 H new ATOM 0 HG2 MET A 91 4.714 9.670 9.089 1.00 1.14 H new ATOM 0 HG3 MET A 91 4.791 8.576 10.456 1.00 1.14 H new ATOM 0 HE1 MET A 91 8.215 10.481 10.687 1.00 1.77 H new ATOM 0 HE2 MET A 91 6.646 11.139 10.167 1.00 1.77 H new ATOM 0 HE3 MET A 91 6.726 10.015 11.543 1.00 1.77 H new ATOM 972 N PHE A 92 3.234 8.939 5.724 1.00 0.49 N ATOM 973 CA PHE A 92 2.556 10.112 5.188 1.00 0.55 C ATOM 974 C PHE A 92 1.064 9.861 5.048 1.00 0.48 C ATOM 975 O PHE A 92 0.602 8.726 5.173 1.00 0.47 O ATOM 976 CB PHE A 92 3.166 10.541 3.845 1.00 0.72 C ATOM 977 CG PHE A 92 3.102 9.493 2.774 1.00 1.04 C ATOM 978 CD1 PHE A 92 1.981 9.377 1.970 1.00 1.25 C ATOM 979 CD2 PHE A 92 4.159 8.623 2.575 1.00 1.83 C ATOM 980 CE1 PHE A 92 1.919 8.411 0.987 1.00 2.19 C ATOM 981 CE2 PHE A 92 4.101 7.656 1.595 1.00 2.86 C ATOM 982 CZ PHE A 92 2.986 7.561 0.788 1.00 3.01 C ATOM 0 H PHE A 92 2.854 8.046 5.409 1.00 0.49 H new ATOM 0 HA PHE A 92 2.697 10.929 5.896 1.00 0.55 H new ATOM 0 HB2 PHE A 92 2.650 11.434 3.494 1.00 0.72 H new ATOM 0 HB3 PHE A 92 4.208 10.817 4.005 1.00 0.72 H new ATOM 0 HD1 PHE A 92 1.148 10.049 2.114 1.00 1.25 H new ATOM 0 HD2 PHE A 92 5.040 8.703 3.195 1.00 1.83 H new ATOM 0 HE1 PHE A 92 1.035 8.321 0.373 1.00 2.19 H new ATOM 0 HE2 PHE A 92 4.927 6.974 1.459 1.00 2.86 H new ATOM 0 HZ PHE A 92 2.949 6.822 0.001 1.00 3.01 H new ATOM 992 N GLU A 93 0.316 10.925 4.805 1.00 0.48 N ATOM 993 CA GLU A 93 -1.129 10.841 4.698 1.00 0.47 C ATOM 994 C GLU A 93 -1.551 10.903 3.231 1.00 0.45 C ATOM 995 O GLU A 93 -1.069 11.745 2.470 1.00 0.53 O ATOM 996 CB GLU A 93 -1.763 11.990 5.483 1.00 0.58 C ATOM 997 CG GLU A 93 -3.272 11.899 5.610 1.00 1.30 C ATOM 998 CD GLU A 93 -3.848 13.038 6.425 1.00 1.73 C ATOM 999 OE1 GLU A 93 -4.359 14.008 5.831 1.00 2.39 O ATOM 1000 OE2 GLU A 93 -3.791 12.974 7.672 1.00 2.04 O ATOM 0 H GLU A 93 0.691 11.865 4.677 1.00 0.48 H new ATOM 0 HA GLU A 93 -1.469 9.893 5.114 1.00 0.47 H new ATOM 0 HB2 GLU A 93 -1.327 12.017 6.481 1.00 0.58 H new ATOM 0 HB3 GLU A 93 -1.507 12.932 4.997 1.00 0.58 H new ATOM 0 HG2 GLU A 93 -3.719 11.903 4.616 1.00 1.30 H new ATOM 0 HG3 GLU A 93 -3.539 10.950 6.075 1.00 1.30 H new ATOM 1007 N TYR A 94 -2.437 9.997 2.842 1.00 0.44 N ATOM 1008 CA TYR A 94 -2.926 9.918 1.471 1.00 0.51 C ATOM 1009 C TYR A 94 -4.358 9.388 1.483 1.00 0.42 C ATOM 1010 O TYR A 94 -4.827 8.900 2.507 1.00 0.40 O ATOM 1011 CB TYR A 94 -2.012 9.019 0.626 1.00 0.69 C ATOM 1012 CG TYR A 94 -2.334 9.028 -0.855 1.00 1.24 C ATOM 1013 CD1 TYR A 94 -2.871 7.911 -1.477 1.00 2.16 C ATOM 1014 CD2 TYR A 94 -2.096 10.156 -1.627 1.00 1.19 C ATOM 1015 CE1 TYR A 94 -3.159 7.914 -2.830 1.00 2.86 C ATOM 1016 CE2 TYR A 94 -2.383 10.170 -2.978 1.00 1.83 C ATOM 1017 CZ TYR A 94 -2.935 9.047 -3.571 1.00 2.64 C ATOM 1018 OH TYR A 94 -3.183 9.054 -4.924 1.00 3.37 O ATOM 0 H TYR A 94 -2.837 9.297 3.466 1.00 0.44 H new ATOM 0 HA TYR A 94 -2.918 10.911 1.021 1.00 0.51 H new ATOM 0 HB2 TYR A 94 -0.979 9.337 0.764 1.00 0.69 H new ATOM 0 HB3 TYR A 94 -2.083 7.996 0.996 1.00 0.69 H new ATOM 0 HD1 TYR A 94 -3.068 7.023 -0.895 1.00 2.16 H new ATOM 0 HD2 TYR A 94 -1.679 11.038 -1.164 1.00 1.19 H new ATOM 0 HE1 TYR A 94 -3.559 7.028 -3.301 1.00 2.86 H new ATOM 0 HE2 TYR A 94 -2.178 11.051 -3.568 1.00 1.83 H new ATOM 0 HH TYR A 94 -3.514 8.174 -5.200 1.00 3.37 H new ATOM 1028 N THR A 95 -5.061 9.504 0.369 1.00 0.46 N ATOM 1029 CA THR A 95 -6.455 9.107 0.317 1.00 0.46 C ATOM 1030 C THR A 95 -6.669 7.782 -0.420 1.00 0.47 C ATOM 1031 O THR A 95 -5.813 7.333 -1.176 1.00 0.60 O ATOM 1032 CB THR A 95 -7.180 10.042 -0.261 1.00 0.59 C ATOM 1033 OG1 THR A 95 -6.531 10.475 -1.473 1.00 1.40 O ATOM 1034 CG2 THR A 95 -7.390 11.231 0.666 1.00 1.09 C ATOM 0 H THR A 95 -4.690 9.869 -0.508 1.00 0.46 H new ATOM 0 HA THR A 95 -6.772 8.969 1.351 1.00 0.46 H new ATOM 0 HB THR A 95 -8.158 9.621 -0.496 1.00 0.59 H new ATOM 0 HG1 THR A 95 -7.072 11.170 -1.904 1.00 1.40 H new ATOM 0 HG21 THR A 95 -7.992 11.985 0.160 1.00 1.09 H new ATOM 0 HG22 THR A 95 -7.905 10.902 1.569 1.00 1.09 H new ATOM 0 HG23 THR A 95 -6.424 11.658 0.934 1.00 1.09 H new ATOM 1042 N PHE A 96 -7.801 7.146 -0.152 1.00 0.43 N ATOM 1043 CA PHE A 96 -8.231 5.964 -0.893 1.00 0.53 C ATOM 1044 C PHE A 96 -9.453 6.313 -1.726 1.00 0.62 C ATOM 1045 O PHE A 96 -10.480 6.737 -1.194 1.00 0.78 O ATOM 1046 CB PHE A 96 -8.551 4.800 0.049 1.00 0.69 C ATOM 1047 CG PHE A 96 -7.335 4.100 0.576 1.00 0.74 C ATOM 1048 CD1 PHE A 96 -6.274 3.806 -0.261 1.00 0.69 C ATOM 1049 CD2 PHE A 96 -7.253 3.740 1.912 1.00 1.03 C ATOM 1050 CE1 PHE A 96 -5.149 3.167 0.224 1.00 0.82 C ATOM 1051 CE2 PHE A 96 -6.133 3.100 2.404 1.00 1.18 C ATOM 1052 CZ PHE A 96 -5.085 2.792 1.547 1.00 1.03 C ATOM 0 H PHE A 96 -8.447 7.433 0.583 1.00 0.43 H new ATOM 0 HA PHE A 96 -7.416 5.648 -1.544 1.00 0.53 H new ATOM 0 HB2 PHE A 96 -9.137 5.174 0.889 1.00 0.69 H new ATOM 0 HB3 PHE A 96 -9.175 4.078 -0.478 1.00 0.69 H new ATOM 0 HD1 PHE A 96 -6.325 4.079 -1.305 1.00 0.69 H new ATOM 0 HD2 PHE A 96 -8.075 3.963 2.576 1.00 1.03 H new ATOM 0 HE1 PHE A 96 -4.319 2.961 -0.436 1.00 0.82 H new ATOM 0 HE2 PHE A 96 -6.072 2.840 3.451 1.00 1.18 H new ATOM 0 HZ PHE A 96 -4.222 2.259 1.917 1.00 1.03 H new ATOM 1062 N ASP A 97 -9.324 6.144 -3.029 1.00 0.66 N ATOM 1063 CA ASP A 97 -10.366 6.531 -3.968 1.00 0.88 C ATOM 1064 C ASP A 97 -10.576 5.390 -4.971 1.00 0.95 C ATOM 1065 O ASP A 97 -10.339 4.230 -4.623 1.00 1.74 O ATOM 1066 CB ASP A 97 -9.941 7.846 -4.645 1.00 1.17 C ATOM 1067 CG ASP A 97 -11.030 8.490 -5.484 1.00 1.83 C ATOM 1068 OD1 ASP A 97 -11.008 8.339 -6.719 1.00 2.18 O ATOM 1069 OD2 ASP A 97 -11.918 9.148 -4.902 1.00 2.57 O ATOM 0 H ASP A 97 -8.498 5.736 -3.467 1.00 0.66 H new ATOM 0 HA ASP A 97 -11.319 6.704 -3.468 1.00 0.88 H new ATOM 0 HB2 ASP A 97 -9.623 8.552 -3.877 1.00 1.17 H new ATOM 0 HB3 ASP A 97 -9.075 7.653 -5.278 1.00 1.17 H new ATOM 1074 N TYR A 98 -11.028 5.704 -6.190 1.00 1.21 N ATOM 1075 CA TYR A 98 -11.255 4.704 -7.239 1.00 1.30 C ATOM 1076 C TYR A 98 -12.474 3.828 -6.934 1.00 1.26 C ATOM 1077 O TYR A 98 -13.490 3.902 -7.625 1.00 2.02 O ATOM 1078 CB TYR A 98 -9.998 3.847 -7.451 1.00 1.57 C ATOM 1079 CG TYR A 98 -10.219 2.612 -8.293 1.00 1.79 C ATOM 1080 CD1 TYR A 98 -10.108 1.342 -7.746 1.00 1.70 C ATOM 1081 CD2 TYR A 98 -10.533 2.723 -9.641 1.00 2.36 C ATOM 1082 CE1 TYR A 98 -10.304 0.216 -8.521 1.00 2.13 C ATOM 1083 CE2 TYR A 98 -10.734 1.602 -10.420 1.00 2.79 C ATOM 1084 CZ TYR A 98 -10.631 0.336 -9.828 1.00 2.67 C ATOM 1085 OH TYR A 98 -10.803 -0.769 -10.630 1.00 3.21 O ATOM 0 H TYR A 98 -11.247 6.658 -6.477 1.00 1.21 H new ATOM 0 HA TYR A 98 -11.466 5.239 -8.165 1.00 1.30 H new ATOM 0 HB2 TYR A 98 -9.230 4.460 -7.922 1.00 1.57 H new ATOM 0 HB3 TYR A 98 -9.611 3.544 -6.478 1.00 1.57 H new ATOM 0 HD1 TYR A 98 -9.865 1.232 -6.699 1.00 1.70 H new ATOM 0 HD2 TYR A 98 -10.621 3.703 -10.087 1.00 2.36 H new ATOM 0 HE1 TYR A 98 -10.196 -0.765 -8.082 1.00 2.13 H new ATOM 0 HE2 TYR A 98 -10.967 1.699 -11.470 1.00 2.79 H new ATOM 0 HH TYR A 98 -11.036 -0.482 -11.537 1.00 3.21 H new ATOM 1095 N GLN A 99 -12.370 3.001 -5.903 1.00 1.11 N ATOM 1096 CA GLN A 99 -13.459 2.107 -5.527 1.00 1.70 C ATOM 1097 C GLN A 99 -14.052 2.514 -4.189 1.00 1.80 C ATOM 1098 O GLN A 99 -15.039 1.941 -3.730 1.00 2.28 O ATOM 1099 CB GLN A 99 -12.979 0.645 -5.487 1.00 2.11 C ATOM 1100 CG GLN A 99 -11.608 0.440 -4.863 1.00 2.28 C ATOM 1101 CD GLN A 99 -11.581 0.676 -3.367 1.00 2.65 C ATOM 1102 OE1 GLN A 99 -12.549 0.408 -2.659 1.00 3.23 O ATOM 1103 NE2 GLN A 99 -10.480 1.205 -2.889 1.00 2.81 N ATOM 0 H GLN A 99 -11.542 2.930 -5.311 1.00 1.11 H new ATOM 0 HA GLN A 99 -14.239 2.187 -6.284 1.00 1.70 H new ATOM 0 HB2 GLN A 99 -13.707 0.054 -4.932 1.00 2.11 H new ATOM 0 HB3 GLN A 99 -12.961 0.255 -6.505 1.00 2.11 H new ATOM 0 HG2 GLN A 99 -11.273 -0.577 -5.068 1.00 2.28 H new ATOM 0 HG3 GLN A 99 -10.896 1.113 -5.341 1.00 2.28 H new ATOM 0 HE21 GLN A 99 -9.700 1.411 -3.514 1.00 2.81 H new ATOM 0 HE22 GLN A 99 -10.403 1.410 -1.893 1.00 2.81 H new ATOM 1112 N MET A 100 -13.444 3.511 -3.572 1.00 1.50 N ATOM 1113 CA MET A 100 -13.871 3.972 -2.265 1.00 1.55 C ATOM 1114 C MET A 100 -14.119 5.464 -2.288 1.00 1.40 C ATOM 1115 O MET A 100 -13.436 6.199 -3.003 1.00 1.30 O ATOM 1116 CB MET A 100 -12.812 3.628 -1.212 1.00 1.54 C ATOM 1117 CG MET A 100 -13.232 3.957 0.214 1.00 1.64 C ATOM 1118 SD MET A 100 -14.724 3.078 0.724 1.00 2.37 S ATOM 1119 CE MET A 100 -14.157 1.378 0.664 1.00 2.85 C ATOM 0 H MET A 100 -12.648 4.019 -3.958 1.00 1.50 H new ATOM 0 HA MET A 100 -14.802 3.469 -2.005 1.00 1.55 H new ATOM 0 HB2 MET A 100 -12.581 2.565 -1.276 1.00 1.54 H new ATOM 0 HB3 MET A 100 -11.894 4.168 -1.444 1.00 1.54 H new ATOM 0 HG2 MET A 100 -12.418 3.707 0.894 1.00 1.64 H new ATOM 0 HG3 MET A 100 -13.401 5.030 0.300 1.00 1.64 H new ATOM 0 HE1 MET A 100 -14.843 0.746 1.228 1.00 2.85 H new ATOM 0 HE2 MET A 100 -14.123 1.042 -0.372 1.00 2.85 H new ATOM 0 HE3 MET A 100 -13.160 1.311 1.100 1.00 2.85 H new ATOM 1129 N THR A 101 -15.126 5.897 -1.548 1.00 1.46 N ATOM 1130 CA THR A 101 -15.325 7.308 -1.302 1.00 1.40 C ATOM 1131 C THR A 101 -14.036 7.876 -0.717 1.00 1.14 C ATOM 1132 O THR A 101 -13.479 7.279 0.206 1.00 1.13 O ATOM 1133 CB THR A 101 -16.331 7.492 -0.464 1.00 1.54 C ATOM 1134 OG1 THR A 101 -17.455 6.701 -0.892 1.00 2.12 O ATOM 1135 CG2 THR A 101 -16.745 8.952 -0.376 1.00 2.05 C ATOM 0 H THR A 101 -15.817 5.288 -1.109 1.00 1.46 H new ATOM 0 HA THR A 101 -15.569 7.818 -2.234 1.00 1.40 H new ATOM 0 HB THR A 101 -15.999 7.183 0.527 1.00 1.54 H new ATOM 0 HG1 THR A 101 -18.203 6.833 -0.272 1.00 2.12 H new ATOM 0 HG21 THR A 101 -17.574 9.053 0.324 1.00 2.05 H new ATOM 0 HG22 THR A 101 -15.902 9.549 -0.029 1.00 2.05 H new ATOM 0 HG23 THR A 101 -17.056 9.302 -1.360 1.00 2.05 H new ATOM 1143 N PRO A 102 -13.510 8.975 -1.299 1.00 1.13 N ATOM 1144 CA PRO A 102 -12.197 9.528 -0.949 1.00 1.00 C ATOM 1145 C PRO A 102 -11.989 9.673 0.552 1.00 0.92 C ATOM 1146 O PRO A 102 -12.337 10.692 1.156 1.00 1.15 O ATOM 1147 CB PRO A 102 -12.168 10.901 -1.639 1.00 1.32 C ATOM 1148 CG PRO A 102 -13.546 11.123 -2.164 1.00 1.47 C ATOM 1149 CD PRO A 102 -14.148 9.765 -2.356 1.00 1.44 C ATOM 0 HA PRO A 102 -11.395 8.865 -1.273 1.00 1.00 H new ATOM 0 HB2 PRO A 102 -11.886 11.685 -0.937 1.00 1.32 H new ATOM 0 HB3 PRO A 102 -11.435 10.917 -2.446 1.00 1.32 H new ATOM 0 HG2 PRO A 102 -14.137 11.715 -1.465 1.00 1.47 H new ATOM 0 HG3 PRO A 102 -13.520 11.673 -3.105 1.00 1.47 H new ATOM 0 HD2 PRO A 102 -15.232 9.784 -2.248 1.00 1.44 H new ATOM 0 HD3 PRO A 102 -13.933 9.364 -3.346 1.00 1.44 H new ATOM 1157 N THR A 103 -11.445 8.626 1.148 1.00 0.73 N ATOM 1158 CA THR A 103 -11.155 8.614 2.570 1.00 0.70 C ATOM 1159 C THR A 103 -9.675 8.861 2.819 1.00 0.58 C ATOM 1160 O THR A 103 -8.859 8.671 1.922 1.00 0.54 O ATOM 1161 CB THR A 103 -11.518 7.474 3.120 1.00 0.81 C ATOM 1162 OG1 THR A 103 -11.349 6.406 2.170 1.00 1.34 O ATOM 1163 CG2 THR A 103 -12.961 7.520 3.596 1.00 1.40 C ATOM 0 H THR A 103 -11.193 7.765 0.662 1.00 0.73 H new ATOM 0 HA THR A 103 -11.730 9.417 3.030 1.00 0.70 H new ATOM 0 HB THR A 103 -10.885 7.299 3.990 1.00 0.81 H new ATOM 0 HG1 THR A 103 -11.618 5.558 2.580 1.00 1.34 H new ATOM 0 HG21 THR A 103 -13.227 6.563 4.044 1.00 1.40 H new ATOM 0 HG22 THR A 103 -13.075 8.312 4.336 1.00 1.40 H new ATOM 0 HG23 THR A 103 -13.617 7.719 2.749 1.00 1.40 H new ATOM 1171 N LYS A 104 -9.329 9.315 4.014 1.00 0.60 N ATOM 1172 CA LYS A 104 -7.947 9.665 4.311 1.00 0.59 C ATOM 1173 C LYS A 104 -7.291 8.624 5.211 1.00 0.58 C ATOM 1174 O LYS A 104 -7.811 8.275 6.272 1.00 0.75 O ATOM 1175 CB LYS A 104 -7.858 11.057 4.952 1.00 0.75 C ATOM 1176 CG LYS A 104 -8.736 11.237 6.183 1.00 1.45 C ATOM 1177 CD LYS A 104 -8.342 12.475 6.970 1.00 1.90 C ATOM 1178 CE LYS A 104 -6.938 12.335 7.523 1.00 2.46 C ATOM 1179 NZ LYS A 104 -6.473 13.569 8.206 1.00 3.08 N ATOM 0 H LYS A 104 -9.979 9.449 4.788 1.00 0.60 H new ATOM 0 HA LYS A 104 -7.405 9.684 3.365 1.00 0.59 H new ATOM 0 HB2 LYS A 104 -6.822 11.252 5.228 1.00 0.75 H new ATOM 0 HB3 LYS A 104 -8.136 11.805 4.209 1.00 0.75 H new ATOM 0 HG2 LYS A 104 -9.780 11.315 5.879 1.00 1.45 H new ATOM 0 HG3 LYS A 104 -8.655 10.357 6.821 1.00 1.45 H new ATOM 0 HD2 LYS A 104 -8.399 13.354 6.327 1.00 1.90 H new ATOM 0 HD3 LYS A 104 -9.046 12.632 7.787 1.00 1.90 H new ATOM 0 HE2 LYS A 104 -6.908 11.501 8.225 1.00 2.46 H new ATOM 0 HE3 LYS A 104 -6.253 12.092 6.711 1.00 2.46 H new ATOM 0 HZ1 LYS A 104 -5.445 13.517 8.356 1.00 3.08 H new ATOM 0 HZ2 LYS A 104 -6.695 14.397 7.617 1.00 3.08 H new ATOM 0 HZ3 LYS A 104 -6.952 13.659 9.124 1.00 3.08 H new ATOM 1193 N VAL A 105 -6.143 8.137 4.777 1.00 0.45 N ATOM 1194 CA VAL A 105 -5.402 7.148 5.529 1.00 0.47 C ATOM 1195 C VAL A 105 -3.974 7.633 5.783 1.00 0.40 C ATOM 1196 O VAL A 105 -3.451 8.476 5.051 1.00 0.37 O ATOM 1197 CB VAL A 105 -5.405 5.971 4.901 1.00 0.54 C ATOM 1198 CG1 VAL A 105 -4.629 6.031 3.588 1.00 1.33 C ATOM 1199 CG2 VAL A 105 -4.892 4.847 5.782 1.00 0.94 C ATOM 0 H VAL A 105 -5.703 8.415 3.900 1.00 0.45 H new ATOM 0 HA VAL A 105 -5.892 7.009 6.493 1.00 0.47 H new ATOM 0 HB VAL A 105 -6.446 5.749 4.667 1.00 0.54 H new ATOM 0 HG11 VAL A 105 -4.654 5.054 3.106 1.00 1.33 H new ATOM 0 HG12 VAL A 105 -5.083 6.772 2.930 1.00 1.33 H new ATOM 0 HG13 VAL A 105 -3.595 6.310 3.789 1.00 1.33 H new ATOM 0 HG21 VAL A 105 -4.914 3.910 5.226 1.00 0.94 H new ATOM 0 HG22 VAL A 105 -3.869 5.063 6.089 1.00 0.94 H new ATOM 0 HG23 VAL A 105 -5.525 4.760 6.665 1.00 0.94 H new ATOM 1209 N LYS A 106 -3.387 7.170 6.869 1.00 0.43 N ATOM 1210 CA LYS A 106 -2.004 7.475 7.179 1.00 0.42 C ATOM 1211 C LYS A 106 -1.185 6.207 7.016 1.00 0.40 C ATOM 1212 O LYS A 106 -1.440 5.209 7.696 1.00 0.47 O ATOM 1213 CB LYS A 106 -1.893 8.015 8.605 1.00 0.48 C ATOM 1214 CG LYS A 106 -0.547 8.636 8.933 1.00 0.71 C ATOM 1215 CD LYS A 106 -0.578 9.296 10.301 1.00 0.83 C ATOM 1216 CE LYS A 106 0.715 10.031 10.606 1.00 1.56 C ATOM 1217 NZ LYS A 106 0.682 10.668 11.948 1.00 1.69 N ATOM 0 H LYS A 106 -3.851 6.576 7.557 1.00 0.43 H new ATOM 0 HA LYS A 106 -1.626 8.241 6.502 1.00 0.42 H new ATOM 0 HB2 LYS A 106 -2.672 8.761 8.760 1.00 0.48 H new ATOM 0 HB3 LYS A 106 -2.086 7.202 9.305 1.00 0.48 H new ATOM 0 HG2 LYS A 106 0.228 7.869 8.911 1.00 0.71 H new ATOM 0 HG3 LYS A 106 -0.287 9.374 8.174 1.00 0.71 H new ATOM 0 HD2 LYS A 106 -1.413 9.996 10.347 1.00 0.83 H new ATOM 0 HD3 LYS A 106 -0.754 8.539 11.065 1.00 0.83 H new ATOM 0 HE2 LYS A 106 1.551 9.333 10.555 1.00 1.56 H new ATOM 0 HE3 LYS A 106 0.889 10.793 9.846 1.00 1.56 H new ATOM 0 HZ1 LYS A 106 1.582 11.160 12.121 1.00 1.69 H new ATOM 0 HZ2 LYS A 106 -0.100 11.352 11.988 1.00 1.69 H new ATOM 0 HZ3 LYS A 106 0.542 9.938 12.675 1.00 1.69 H new ATOM 1231 N VAL A 107 -0.216 6.230 6.119 1.00 0.37 N ATOM 1232 CA VAL A 107 0.494 5.030 5.770 1.00 0.42 C ATOM 1233 C VAL A 107 1.941 5.090 6.237 1.00 0.40 C ATOM 1234 O VAL A 107 2.633 6.092 6.057 1.00 0.54 O ATOM 1235 CB VAL A 107 0.420 4.779 4.464 1.00 0.46 C ATOM 1236 CG1 VAL A 107 0.923 5.954 3.629 1.00 1.26 C ATOM 1237 CG2 VAL A 107 1.159 3.508 4.096 1.00 1.27 C ATOM 0 H VAL A 107 0.091 7.068 5.625 1.00 0.37 H new ATOM 0 HA VAL A 107 0.010 4.203 6.289 1.00 0.42 H new ATOM 0 HB VAL A 107 -0.635 4.635 4.233 1.00 0.46 H new ATOM 0 HG11 VAL A 107 0.845 5.708 2.570 1.00 1.26 H new ATOM 0 HG12 VAL A 107 0.319 6.836 3.841 1.00 1.26 H new ATOM 0 HG13 VAL A 107 1.964 6.158 3.878 1.00 1.26 H new ATOM 0 HG21 VAL A 107 1.076 3.337 3.023 1.00 1.27 H new ATOM 0 HG22 VAL A 107 2.210 3.607 4.368 1.00 1.27 H new ATOM 0 HG23 VAL A 107 0.723 2.665 4.633 1.00 1.27 H new ATOM 1247 N HIS A 108 2.357 4.043 6.920 1.00 0.34 N ATOM 1248 CA HIS A 108 3.732 3.903 7.336 1.00 0.34 C ATOM 1249 C HIS A 108 4.336 2.740 6.574 1.00 0.32 C ATOM 1250 O HIS A 108 4.033 1.586 6.852 1.00 0.44 O ATOM 1251 CB HIS A 108 3.813 3.669 8.849 1.00 0.45 C ATOM 1252 CG HIS A 108 5.176 3.892 9.433 1.00 0.53 C ATOM 1253 ND1 HIS A 108 6.297 4.429 8.898 1.00 0.97 N flip ATOM 1254 CD2 HIS A 108 5.489 3.580 10.735 1.00 0.54 C flip ATOM 1255 CE1 HIS A 108 7.260 4.437 9.879 1.00 1.02 C flip ATOM 1256 NE2 HIS A 108 6.742 3.916 10.978 1.00 0.68 N flip ATOM 0 H HIS A 108 1.753 3.270 7.200 1.00 0.34 H new ATOM 0 HA HIS A 108 4.288 4.815 7.119 1.00 0.34 H new ATOM 0 HB2 HIS A 108 3.104 4.331 9.346 1.00 0.45 H new ATOM 0 HB3 HIS A 108 3.500 2.647 9.065 1.00 0.45 H new ATOM 0 HD1 HIS A 108 6.407 4.766 7.942 1.00 0.97 H new ATOM 0 HD2 HIS A 108 4.814 3.130 11.448 1.00 0.54 H new ATOM 0 HE1 HIS A 108 8.269 4.806 9.770 1.00 1.02 H new ATOM 1265 N MET A 109 5.152 3.050 5.588 1.00 0.30 N ATOM 1266 CA MET A 109 5.716 2.022 4.719 1.00 0.39 C ATOM 1267 C MET A 109 7.171 1.747 5.086 1.00 0.34 C ATOM 1268 O MET A 109 7.966 2.675 5.225 1.00 0.45 O ATOM 1269 CB MET A 109 5.552 2.433 3.247 1.00 0.65 C ATOM 1270 CG MET A 109 6.274 3.711 2.836 1.00 0.87 C ATOM 1271 SD MET A 109 5.682 4.330 1.256 1.00 2.22 S ATOM 1272 CE MET A 109 3.908 4.255 1.494 1.00 2.49 C ATOM 0 H MET A 109 5.443 4.002 5.364 1.00 0.30 H new ATOM 0 HA MET A 109 5.173 1.088 4.863 1.00 0.39 H new ATOM 0 HB2 MET A 109 5.909 1.617 2.619 1.00 0.65 H new ATOM 0 HB3 MET A 109 4.489 2.554 3.038 1.00 0.65 H new ATOM 0 HG2 MET A 109 6.130 4.473 3.602 1.00 0.87 H new ATOM 0 HG3 MET A 109 7.345 3.520 2.774 1.00 0.87 H new ATOM 0 HE1 MET A 109 3.412 4.844 0.723 1.00 2.49 H new ATOM 0 HE2 MET A 109 3.576 3.219 1.429 1.00 2.49 H new ATOM 0 HE3 MET A 109 3.655 4.656 2.476 1.00 2.49 H new ATOM 1282 N LYS A 110 7.509 0.464 5.275 1.00 0.32 N ATOM 1283 CA LYS A 110 8.799 0.090 5.862 1.00 0.35 C ATOM 1284 C LYS A 110 9.440 -1.114 5.161 1.00 0.32 C ATOM 1285 O LYS A 110 8.844 -2.176 5.042 1.00 0.45 O ATOM 1286 CB LYS A 110 8.615 -0.209 7.350 1.00 0.50 C ATOM 1287 CG LYS A 110 8.124 0.987 8.147 1.00 0.97 C ATOM 1288 CD LYS A 110 7.768 0.609 9.572 1.00 0.91 C ATOM 1289 CE LYS A 110 8.971 0.077 10.337 1.00 1.31 C ATOM 1290 NZ LYS A 110 8.639 -0.226 11.755 1.00 1.57 N ATOM 0 H LYS A 110 6.911 -0.325 5.031 1.00 0.32 H new ATOM 0 HA LYS A 110 9.476 0.933 5.727 1.00 0.35 H new ATOM 0 HB2 LYS A 110 7.906 -1.029 7.464 1.00 0.50 H new ATOM 0 HB3 LYS A 110 9.564 -0.549 7.765 1.00 0.50 H new ATOM 0 HG2 LYS A 110 8.895 1.758 8.158 1.00 0.97 H new ATOM 0 HG3 LYS A 110 7.251 1.417 7.656 1.00 0.97 H new ATOM 0 HD2 LYS A 110 7.366 1.480 10.089 1.00 0.91 H new ATOM 0 HD3 LYS A 110 6.982 -0.146 9.561 1.00 0.91 H new ATOM 0 HE2 LYS A 110 9.340 -0.826 9.850 1.00 1.31 H new ATOM 0 HE3 LYS A 110 9.777 0.810 10.302 1.00 1.31 H new ATOM 0 HZ1 LYS A 110 9.485 -0.586 12.240 1.00 1.57 H new ATOM 0 HZ2 LYS A 110 8.311 0.640 12.227 1.00 1.57 H new ATOM 0 HZ3 LYS A 110 7.888 -0.945 11.790 1.00 1.57 H new ATOM 1304 N LYS A 111 10.674 -0.921 4.735 1.00 0.37 N ATOM 1305 CA LYS A 111 11.464 -1.914 3.999 1.00 0.38 C ATOM 1306 C LYS A 111 11.876 -3.084 4.900 1.00 0.43 C ATOM 1307 O LYS A 111 12.658 -2.879 5.829 1.00 0.60 O ATOM 1308 CB LYS A 111 12.719 -1.194 3.491 1.00 0.49 C ATOM 1309 CG LYS A 111 13.593 -1.968 2.521 1.00 0.56 C ATOM 1310 CD LYS A 111 15.004 -1.390 2.514 1.00 1.03 C ATOM 1311 CE LYS A 111 15.870 -1.959 1.402 1.00 1.49 C ATOM 1312 NZ LYS A 111 15.626 -1.284 0.096 1.00 2.13 N ATOM 0 H LYS A 111 11.177 -0.047 4.891 1.00 0.37 H new ATOM 0 HA LYS A 111 10.873 -2.327 3.182 1.00 0.38 H new ATOM 0 HB2 LYS A 111 12.410 -0.267 3.008 1.00 0.49 H new ATOM 0 HB3 LYS A 111 13.327 -0.917 4.352 1.00 0.49 H new ATOM 0 HG2 LYS A 111 13.624 -3.020 2.806 1.00 0.56 H new ATOM 0 HG3 LYS A 111 13.167 -1.922 1.519 1.00 0.56 H new ATOM 0 HD2 LYS A 111 14.947 -0.307 2.405 1.00 1.03 H new ATOM 0 HD3 LYS A 111 15.478 -1.590 3.475 1.00 1.03 H new ATOM 0 HE2 LYS A 111 16.921 -1.854 1.672 1.00 1.49 H new ATOM 0 HE3 LYS A 111 15.672 -3.026 1.300 1.00 1.49 H new ATOM 0 HZ1 LYS A 111 16.329 -1.608 -0.599 1.00 2.13 H new ATOM 0 HZ2 LYS A 111 14.671 -1.518 -0.243 1.00 2.13 H new ATOM 0 HZ3 LYS A 111 15.708 -0.254 0.217 1.00 2.13 H new ATOM 1326 N ALA A 112 11.378 -4.304 4.630 1.00 0.44 N ATOM 1327 CA ALA A 112 11.740 -5.464 5.460 1.00 0.59 C ATOM 1328 C ALA A 112 11.122 -6.782 4.974 1.00 0.92 C ATOM 1329 O ALA A 112 9.987 -7.101 5.333 1.00 1.57 O ATOM 1330 CB ALA A 112 11.334 -5.230 6.912 1.00 0.96 C ATOM 0 H ALA A 112 10.739 -4.509 3.862 1.00 0.44 H new ATOM 0 HA ALA A 112 12.822 -5.562 5.376 1.00 0.59 H new ATOM 0 HB1 ALA A 112 11.609 -6.098 7.511 1.00 0.96 H new ATOM 0 HB2 ALA A 112 11.846 -4.347 7.295 1.00 0.96 H new ATOM 0 HB3 ALA A 112 10.256 -5.077 6.968 1.00 0.96 H new ATOM 1336 N LEU A 113 11.867 -7.535 4.151 1.00 1.01 N ATOM 1337 CA LEU A 113 11.539 -8.941 3.864 1.00 1.49 C ATOM 1338 C LEU A 113 12.491 -9.564 2.866 1.00 1.26 C ATOM 1339 O LEU A 113 12.226 -9.546 1.663 1.00 2.05 O ATOM 1340 CB LEU A 113 10.122 -9.130 3.339 1.00 2.52 C ATOM 1341 CG LEU A 113 9.684 -10.594 3.212 1.00 3.38 C ATOM 1342 CD1 LEU A 113 9.519 -11.224 4.587 1.00 3.91 C ATOM 1343 CD2 LEU A 113 8.399 -10.712 2.411 1.00 4.41 C ATOM 0 H LEU A 113 12.701 -7.195 3.672 1.00 1.01 H new ATOM 0 HA LEU A 113 11.633 -9.441 4.828 1.00 1.49 H new ATOM 0 HB2 LEU A 113 9.429 -8.612 4.003 1.00 2.52 H new ATOM 0 HB3 LEU A 113 10.043 -8.654 2.362 1.00 2.52 H new ATOM 0 HG LEU A 113 10.464 -11.134 2.676 1.00 3.38 H new ATOM 0 HD11 LEU A 113 9.208 -12.263 4.476 1.00 3.91 H new ATOM 0 HD12 LEU A 113 10.468 -11.184 5.122 1.00 3.91 H new ATOM 0 HD13 LEU A 113 8.763 -10.677 5.150 1.00 3.91 H new ATOM 0 HD21 LEU A 113 8.112 -11.761 2.337 1.00 4.41 H new ATOM 0 HD22 LEU A 113 7.607 -10.153 2.909 1.00 4.41 H new ATOM 0 HD23 LEU A 113 8.555 -10.307 1.411 1.00 4.41 H new ATOM 1355 N SER A 114 13.597 -10.087 3.388 1.00 1.21 N ATOM 1356 CA SER A 114 14.533 -10.932 2.635 1.00 1.56 C ATOM 1357 C SER A 114 14.778 -10.409 1.226 1.00 1.72 C ATOM 1358 O SER A 114 14.906 -11.185 0.280 1.00 2.36 O ATOM 1359 CB SER A 114 13.980 -12.359 2.574 1.00 2.13 C ATOM 1360 OG SER A 114 13.751 -12.870 3.880 1.00 2.55 O ATOM 0 H SER A 114 13.876 -9.937 4.357 1.00 1.21 H new ATOM 0 HA SER A 114 15.492 -10.917 3.153 1.00 1.56 H new ATOM 0 HB2 SER A 114 13.049 -12.369 2.007 1.00 2.13 H new ATOM 0 HB3 SER A 114 14.682 -13.003 2.045 1.00 2.13 H new ATOM 0 HG SER A 114 13.396 -13.781 3.817 1.00 2.55 H new ATOM 1366 N GLY A 115 14.865 -9.098 1.096 1.00 1.73 N ATOM 1367 CA GLY A 115 14.916 -8.510 -0.212 1.00 2.05 C ATOM 1368 C GLY A 115 14.621 -7.033 -0.179 1.00 1.87 C ATOM 1369 O GLY A 115 15.269 -6.282 0.552 1.00 2.62 O ATOM 0 H GLY A 115 14.901 -8.437 1.872 1.00 1.73 H new ATOM 0 HA2 GLY A 115 15.903 -8.673 -0.644 1.00 2.05 H new ATOM 0 HA3 GLY A 115 14.197 -9.009 -0.862 1.00 2.05 H new ATOM 1373 N ASP A 116 13.626 -6.612 -0.945 1.00 1.38 N ATOM 1374 CA ASP A 116 13.294 -5.198 -1.032 1.00 1.29 C ATOM 1375 C ASP A 116 11.787 -4.991 -1.060 1.00 1.01 C ATOM 1376 O ASP A 116 11.282 -4.087 -1.719 1.00 1.32 O ATOM 1377 CB ASP A 116 13.933 -4.579 -2.273 1.00 1.58 C ATOM 1378 CG ASP A 116 14.628 -3.274 -1.955 1.00 2.09 C ATOM 1379 OD1 ASP A 116 13.936 -2.258 -1.732 1.00 2.76 O ATOM 1380 OD2 ASP A 116 15.875 -3.263 -1.896 1.00 2.42 O ATOM 0 H ASP A 116 13.038 -7.224 -1.511 1.00 1.38 H new ATOM 0 HA ASP A 116 13.689 -4.703 -0.145 1.00 1.29 H new ATOM 0 HB2 ASP A 116 14.652 -5.279 -2.699 1.00 1.58 H new ATOM 0 HB3 ASP A 116 13.167 -4.408 -3.029 1.00 1.58 H new ATOM 1385 N SER A 117 11.076 -5.829 -0.332 1.00 0.60 N ATOM 1386 CA SER A 117 9.648 -5.689 -0.201 1.00 0.36 C ATOM 1387 C SER A 117 9.316 -5.022 1.128 1.00 0.34 C ATOM 1388 O SER A 117 9.885 -5.365 2.168 1.00 0.54 O ATOM 1389 CB SER A 117 8.968 -7.050 -0.346 1.00 0.35 C ATOM 1390 OG SER A 117 9.783 -8.084 0.186 1.00 1.07 O ATOM 0 H SER A 117 11.472 -6.618 0.179 1.00 0.60 H new ATOM 0 HA SER A 117 9.267 -5.051 -0.998 1.00 0.36 H new ATOM 0 HB2 SER A 117 8.007 -7.038 0.169 1.00 0.35 H new ATOM 0 HB3 SER A 117 8.763 -7.248 -1.398 1.00 0.35 H new ATOM 0 HG SER A 117 9.406 -8.955 -0.056 1.00 1.07 H new ATOM 1396 N TYR A 118 8.410 -4.067 1.091 1.00 0.22 N ATOM 1397 CA TYR A 118 8.158 -3.216 2.225 1.00 0.24 C ATOM 1398 C TYR A 118 6.811 -3.547 2.823 1.00 0.24 C ATOM 1399 O TYR A 118 5.956 -4.132 2.162 1.00 0.26 O ATOM 1400 CB TYR A 118 8.170 -1.751 1.786 1.00 0.30 C ATOM 1401 CG TYR A 118 9.156 -1.469 0.682 1.00 0.32 C ATOM 1402 CD1 TYR A 118 8.760 -1.452 -0.644 1.00 0.42 C ATOM 1403 CD2 TYR A 118 10.482 -1.207 0.974 1.00 0.57 C ATOM 1404 CE1 TYR A 118 9.661 -1.177 -1.654 1.00 0.55 C ATOM 1405 CE2 TYR A 118 11.389 -0.936 -0.027 1.00 0.72 C ATOM 1406 CZ TYR A 118 10.968 -0.981 -1.363 1.00 0.67 C ATOM 1407 OH TYR A 118 11.880 -0.637 -2.341 1.00 0.86 O ATOM 0 H TYR A 118 7.832 -3.863 0.276 1.00 0.22 H new ATOM 0 HA TYR A 118 8.937 -3.378 2.970 1.00 0.24 H new ATOM 0 HB2 TYR A 118 7.171 -1.471 1.452 1.00 0.30 H new ATOM 0 HB3 TYR A 118 8.407 -1.123 2.645 1.00 0.30 H new ATOM 0 HD1 TYR A 118 7.729 -1.657 -0.893 1.00 0.42 H new ATOM 0 HD2 TYR A 118 10.812 -1.215 2.002 1.00 0.57 H new ATOM 0 HE1 TYR A 118 9.322 -1.118 -2.678 1.00 0.55 H new ATOM 0 HE2 TYR A 118 12.413 -0.692 0.215 1.00 0.72 H new ATOM 0 HH TYR A 118 12.740 -1.068 -2.152 1.00 0.86 H new ATOM 1417 N TRP A 119 6.620 -3.136 4.048 1.00 0.27 N ATOM 1418 CA TRP A 119 5.364 -3.313 4.721 1.00 0.30 C ATOM 1419 C TRP A 119 4.608 -2.010 4.683 1.00 0.33 C ATOM 1420 O TRP A 119 5.050 -1.008 5.244 1.00 0.38 O ATOM 1421 CB TRP A 119 5.587 -3.731 6.172 1.00 0.36 C ATOM 1422 CG TRP A 119 6.047 -5.144 6.327 1.00 0.38 C ATOM 1423 CD1 TRP A 119 7.334 -5.587 6.378 1.00 0.48 C ATOM 1424 CD2 TRP A 119 5.215 -6.301 6.460 1.00 0.42 C ATOM 1425 NE1 TRP A 119 7.356 -6.949 6.536 1.00 0.52 N ATOM 1426 CE2 TRP A 119 6.066 -7.413 6.587 1.00 0.48 C ATOM 1427 CE3 TRP A 119 3.833 -6.502 6.484 1.00 0.52 C ATOM 1428 CZ2 TRP A 119 5.579 -8.708 6.735 1.00 0.56 C ATOM 1429 CZ3 TRP A 119 3.350 -7.786 6.630 1.00 0.63 C ATOM 1430 CH2 TRP A 119 4.221 -8.877 6.756 1.00 0.62 C ATOM 0 H TRP A 119 7.333 -2.668 4.607 1.00 0.27 H new ATOM 0 HA TRP A 119 4.795 -4.096 4.220 1.00 0.30 H new ATOM 0 HB2 TRP A 119 6.324 -3.067 6.623 1.00 0.36 H new ATOM 0 HB3 TRP A 119 4.658 -3.598 6.726 1.00 0.36 H new ATOM 0 HD1 TRP A 119 8.209 -4.958 6.305 1.00 0.48 H new ATOM 0 HE1 TRP A 119 8.196 -7.524 6.605 1.00 0.52 H new ATOM 0 HE3 TRP A 119 3.155 -5.667 6.390 1.00 0.52 H new ATOM 0 HZ2 TRP A 119 6.249 -9.550 6.830 1.00 0.56 H new ATOM 0 HZ3 TRP A 119 2.283 -7.953 6.648 1.00 0.63 H new ATOM 0 HH2 TRP A 119 3.813 -9.870 6.872 1.00 0.62 H new ATOM 1441 N VAL A 120 3.491 -2.016 3.989 1.00 0.33 N ATOM 1442 CA VAL A 120 2.656 -0.841 3.926 1.00 0.37 C ATOM 1443 C VAL A 120 1.472 -0.977 4.901 1.00 0.40 C ATOM 1444 O VAL A 120 0.632 -1.874 4.792 1.00 0.55 O ATOM 1445 CB VAL A 120 2.262 -0.612 2.667 1.00 0.40 C ATOM 1446 CG1 VAL A 120 1.507 -1.794 2.073 1.00 0.90 C ATOM 1447 CG2 VAL A 120 1.442 0.658 2.555 1.00 0.91 C ATOM 0 H VAL A 120 3.143 -2.818 3.464 1.00 0.33 H new ATOM 0 HA VAL A 120 3.232 0.029 4.239 1.00 0.37 H new ATOM 0 HB VAL A 120 3.172 -0.478 2.083 1.00 0.40 H new ATOM 0 HG11 VAL A 120 1.209 -1.559 1.051 1.00 0.90 H new ATOM 0 HG12 VAL A 120 2.152 -2.673 2.070 1.00 0.90 H new ATOM 0 HG13 VAL A 120 0.619 -1.997 2.672 1.00 0.90 H new ATOM 0 HG21 VAL A 120 1.142 0.807 1.518 1.00 0.91 H new ATOM 0 HG22 VAL A 120 0.554 0.574 3.181 1.00 0.91 H new ATOM 0 HG23 VAL A 120 2.040 1.507 2.886 1.00 0.91 H new ATOM 1457 N PHE A 121 1.457 -0.101 5.900 1.00 0.39 N ATOM 1458 CA PHE A 121 0.476 -0.177 6.976 1.00 0.41 C ATOM 1459 C PHE A 121 -0.620 0.860 6.793 1.00 0.41 C ATOM 1460 O PHE A 121 -0.356 2.063 6.719 1.00 0.49 O ATOM 1461 CB PHE A 121 1.148 0.022 8.338 1.00 0.48 C ATOM 1462 CG PHE A 121 2.129 -1.057 8.701 1.00 0.53 C ATOM 1463 CD1 PHE A 121 3.492 -0.843 8.582 1.00 0.56 C ATOM 1464 CD2 PHE A 121 1.687 -2.286 9.162 1.00 0.69 C ATOM 1465 CE1 PHE A 121 4.396 -1.833 8.920 1.00 0.65 C ATOM 1466 CE2 PHE A 121 2.585 -3.279 9.499 1.00 0.79 C ATOM 1467 CZ PHE A 121 3.941 -3.051 9.378 1.00 0.73 C ATOM 0 H PHE A 121 2.116 0.673 5.987 1.00 0.39 H new ATOM 0 HA PHE A 121 0.028 -1.170 6.941 1.00 0.41 H new ATOM 0 HB2 PHE A 121 1.663 0.983 8.340 1.00 0.48 H new ATOM 0 HB3 PHE A 121 0.378 0.072 9.108 1.00 0.48 H new ATOM 0 HD1 PHE A 121 3.853 0.109 8.221 1.00 0.56 H new ATOM 0 HD2 PHE A 121 0.627 -2.470 9.259 1.00 0.69 H new ATOM 0 HE1 PHE A 121 5.457 -1.652 8.825 1.00 0.65 H new ATOM 0 HE2 PHE A 121 2.227 -4.233 9.857 1.00 0.79 H new ATOM 0 HZ PHE A 121 4.645 -3.826 9.642 1.00 0.73 H new ATOM 1477 N VAL A 122 -1.847 0.376 6.745 1.00 0.42 N ATOM 1478 CA VAL A 122 -3.013 1.206 6.500 1.00 0.51 C ATOM 1479 C VAL A 122 -3.802 1.437 7.790 1.00 0.54 C ATOM 1480 O VAL A 122 -4.484 0.534 8.279 1.00 0.76 O ATOM 1481 CB VAL A 122 -3.803 0.623 5.604 1.00 0.67 C ATOM 1482 CG1 VAL A 122 -5.044 1.463 5.327 1.00 1.18 C ATOM 1483 CG2 VAL A 122 -3.052 0.344 4.313 1.00 1.16 C ATOM 0 H VAL A 122 -2.065 -0.612 6.876 1.00 0.42 H new ATOM 0 HA VAL A 122 -2.669 2.169 6.121 1.00 0.51 H new ATOM 0 HB VAL A 122 -4.127 -0.329 6.026 1.00 0.67 H new ATOM 0 HG11 VAL A 122 -5.668 0.958 4.590 1.00 1.18 H new ATOM 0 HG12 VAL A 122 -5.607 1.595 6.251 1.00 1.18 H new ATOM 0 HG13 VAL A 122 -4.745 2.438 4.942 1.00 1.18 H new ATOM 0 HG21 VAL A 122 -3.722 -0.133 3.598 1.00 1.16 H new ATOM 0 HG22 VAL A 122 -2.684 1.282 3.896 1.00 1.16 H new ATOM 0 HG23 VAL A 122 -2.210 -0.317 4.518 1.00 1.16 H new ATOM 1493 N LYS A 123 -3.699 2.643 8.345 1.00 0.52 N ATOM 1494 CA LYS A 123 -4.539 3.034 9.474 1.00 0.66 C ATOM 1495 C LYS A 123 -5.163 4.406 9.219 1.00 0.55 C ATOM 1496 O LYS A 123 -4.475 5.350 8.826 1.00 0.51 O ATOM 1497 CB LYS A 123 -3.756 3.026 10.797 1.00 0.93 C ATOM 1498 CG LYS A 123 -2.536 3.933 10.822 1.00 1.36 C ATOM 1499 CD LYS A 123 -1.995 4.083 12.236 1.00 1.80 C ATOM 1500 CE LYS A 123 -0.729 4.924 12.273 1.00 2.62 C ATOM 1501 NZ LYS A 123 0.432 4.212 11.671 1.00 3.31 N ATOM 0 H LYS A 123 -3.046 3.362 8.033 1.00 0.52 H new ATOM 0 HA LYS A 123 -5.337 2.297 9.568 1.00 0.66 H new ATOM 0 HB2 LYS A 123 -4.428 3.322 11.602 1.00 0.93 H new ATOM 0 HB3 LYS A 123 -3.437 2.005 11.008 1.00 0.93 H new ATOM 0 HG2 LYS A 123 -1.761 3.523 10.174 1.00 1.36 H new ATOM 0 HG3 LYS A 123 -2.799 4.913 10.424 1.00 1.36 H new ATOM 0 HD2 LYS A 123 -2.755 4.543 12.868 1.00 1.80 H new ATOM 0 HD3 LYS A 123 -1.788 3.097 12.652 1.00 1.80 H new ATOM 0 HE2 LYS A 123 -0.899 5.858 11.738 1.00 2.62 H new ATOM 0 HE3 LYS A 123 -0.498 5.186 13.306 1.00 2.62 H new ATOM 0 HZ1 LYS A 123 1.300 4.761 11.837 1.00 3.31 H new ATOM 0 HZ2 LYS A 123 0.527 3.273 12.107 1.00 3.31 H new ATOM 0 HZ3 LYS A 123 0.281 4.105 10.648 1.00 3.31 H new ATOM 1515 N ARG A 124 -6.469 4.501 9.424 1.00 0.67 N ATOM 1516 CA ARG A 124 -7.212 5.720 9.116 1.00 0.76 C ATOM 1517 C ARG A 124 -6.916 6.829 10.121 1.00 0.85 C ATOM 1518 O ARG A 124 -6.486 6.569 11.248 1.00 0.96 O ATOM 1519 CB ARG A 124 -8.724 5.425 9.068 1.00 1.03 C ATOM 1520 CG ARG A 124 -9.319 4.915 10.381 1.00 1.58 C ATOM 1521 CD ARG A 124 -9.658 6.053 11.336 1.00 2.10 C ATOM 1522 NE ARG A 124 -10.113 5.565 12.636 1.00 2.55 N ATOM 1523 CZ ARG A 124 -10.286 6.341 13.707 1.00 3.32 C ATOM 1524 NH1 ARG A 124 -10.063 7.650 13.636 1.00 3.80 N ATOM 1525 NH2 ARG A 124 -10.681 5.805 14.854 1.00 4.03 N ATOM 0 H ARG A 124 -7.040 3.746 9.804 1.00 0.67 H new ATOM 0 HA ARG A 124 -6.887 6.070 8.136 1.00 0.76 H new ATOM 0 HB2 ARG A 124 -9.249 6.335 8.777 1.00 1.03 H new ATOM 0 HB3 ARG A 124 -8.911 4.686 8.289 1.00 1.03 H new ATOM 0 HG2 ARG A 124 -10.220 4.338 10.171 1.00 1.58 H new ATOM 0 HG3 ARG A 124 -8.612 4.238 10.860 1.00 1.58 H new ATOM 0 HD2 ARG A 124 -8.780 6.684 11.474 1.00 2.10 H new ATOM 0 HD3 ARG A 124 -10.433 6.678 10.893 1.00 2.10 H new ATOM 0 HE ARG A 124 -10.311 4.569 12.730 1.00 2.55 H new ATOM 0 HH11 ARG A 124 -9.757 8.068 12.757 1.00 3.80 H new ATOM 0 HH12 ARG A 124 -10.198 8.236 14.460 1.00 3.80 H new ATOM 0 HH21 ARG A 124 -10.852 4.801 14.916 1.00 4.03 H new ATOM 0 HH22 ARG A 124 -10.814 6.396 15.674 1.00 4.03 H new ATOM 1539 N VAL A 125 -7.145 8.064 9.701 1.00 1.06 N ATOM 1540 CA VAL A 125 -7.029 9.206 10.589 1.00 1.33 C ATOM 1541 C VAL A 125 -8.414 9.791 10.835 1.00 2.00 C ATOM 1542 O VAL A 125 -8.891 10.578 9.990 1.00 2.87 O ATOM 1543 CB VAL A 125 -6.231 10.146 10.099 1.00 1.50 C ATOM 1544 CG1 VAL A 125 -6.006 11.252 11.128 1.00 2.10 C ATOM 1545 CG2 VAL A 125 -4.905 9.566 9.642 1.00 2.08 C ATOM 1546 OXT VAL A 125 -9.033 9.436 11.862 1.00 2.26 O ATOM 0 H VAL A 125 -7.413 8.299 8.746 1.00 1.06 H new ATOM 0 HA VAL A 125 -6.587 8.858 11.523 1.00 1.33 H new ATOM 0 HB VAL A 125 -6.724 10.577 9.227 1.00 1.50 H new ATOM 0 HG11 VAL A 125 -5.349 12.013 10.707 1.00 2.10 H new ATOM 0 HG12 VAL A 125 -6.962 11.704 11.392 1.00 2.10 H new ATOM 0 HG13 VAL A 125 -5.546 10.830 12.021 1.00 2.10 H new ATOM 0 HG21 VAL A 125 -4.276 10.364 9.246 1.00 2.08 H new ATOM 0 HG22 VAL A 125 -4.404 9.094 10.487 1.00 2.08 H new ATOM 0 HG23 VAL A 125 -5.082 8.823 8.864 1.00 2.08 H new TER 1556 VAL A 125 HETATM 1557 C1 HC4 A 169 -6.930 3.258 -5.277 1.00 0.71 C HETATM 1558 O1 HC4 A 169 -7.011 2.766 -6.401 1.00 0.73 O HETATM 1559 C2 HC4 A 169 -7.115 2.434 -4.005 1.00 0.72 C HETATM 1560 C3 HC4 A 169 -7.342 1.142 -4.105 1.00 0.71 C HETATM 1561 C1' HC4 A 169 -7.525 0.236 -2.995 1.00 0.75 C HETATM 1562 C2' HC4 A 169 -7.765 -1.115 -3.229 1.00 0.80 C HETATM 1563 C3' HC4 A 169 -7.945 -1.997 -2.180 1.00 0.86 C HETATM 1564 C4' HC4 A 169 -7.885 -1.540 -0.886 1.00 0.89 C HETATM 1565 C5' HC4 A 169 -7.646 -0.209 -0.626 1.00 0.90 C HETATM 1566 C6' HC4 A 169 -7.468 0.672 -1.678 1.00 0.82 C HETATM 1567 O4' HC4 A 169 -8.066 -2.422 0.153 1.00 0.99 O HETATM 0 HO4' HC4 A 169 -7.610 -2.084 0.952 1.00 0.99 H new HETATM 0 H6' HC4 A 169 -7.280 1.725 -1.469 1.00 0.82 H new HETATM 0 H5' HC4 A 169 -7.597 0.148 0.403 1.00 0.90 H new HETATM 0 H3' HC4 A 169 -8.134 -3.052 -2.379 1.00 0.86 H new HETATM 0 H3 HC4 A 169 -7.396 0.720 -5.109 1.00 0.71 H new HETATM 0 H2' HC4 A 169 -7.812 -1.483 -4.254 1.00 0.80 H new HETATM 0 H2 HC4 A 169 -7.060 2.910 -3.026 1.00 0.72 H new