USER MOD reduce.3.24.130724 H: found=0, std=0, add=1614, rem=0, adj=48 USER MOD reduce.3.24.130724 removed 1614 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 45 GLN :FLIP amide:sc= -9.11! C(o=-16!,f=-14!) USER MOD Set 1.2: B 51 LYS NZ :NH3+ -120:sc= -4.41! (180deg=-5.26!) USER MOD Set 2.1: A 15 THR OG1 : rot -145:sc= 0.832 USER MOD Set 2.2: B 15 THR OG1 : rot 143:sc= 0.958 USER MOD Set 3.1: A 66 ASN : amide:sc= -3.47 K(o=-1.1,f=-7.2!) USER MOD Set 3.2: A 85 LYS NZ :NH3+ 168:sc= 2.4 (180deg=1.99) USER MOD Set 4.1: A 45 GLN :FLIP amide:sc= -8.47! C(o=-17!,f=-12!) USER MOD Set 4.2: A 51 LYS NZ :NH3+ -124:sc= -3.66 (180deg=-5.01!) USER MOD Single : A 1 MET CE :methyl -155:sc= -6.5! (180deg=-8.18!) USER MOD Single : A 1 MET N :NH3+ -169:sc= -1.75 (180deg=-2.35!) USER MOD Single : A 5 THR OG1 : rot -153:sc= 0.559 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0692 USER MOD Single : A 18 SER OG : rot 86:sc= 1.24 USER MOD Single : A 19 THR OG1 : rot 30:sc= -1.54 USER MOD Single : A 22 THR OG1 : rot -67:sc= 1.12 USER MOD Single : A 30 LYS NZ :NH3+ -167:sc= -0.0388 (180deg=-0.219) USER MOD Single : A 32 SER OG : rot 130:sc= 0.678 USER MOD Single : A 34 ASN : amide:sc= -5.54! C(o=-5.5!,f=-13!) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ -171:sc= -0.0124 (180deg=-0.139) USER MOD Single : A 43 THR OG1 : rot -132:sc= 0.957 USER MOD Single : A 44 GLN : amide:sc= -0.0299 X(o=-0.03,f=-0.039) USER MOD Single : A 48 HIS : no HD1:sc= -8.2! C(o=-8.2!,f=-9.8!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -122:sc= -0.0479 (180deg=-0.112) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot -172:sc= -0.522 USER MOD Single : A 67 GLN : amide:sc= -6.7! C(o=-6.7!,f=-6.8!) USER MOD Single : A 69 SER OG : rot -147:sc= 0.497 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 53:sc= 0.501 USER MOD Single : A 89 LYS NZ :NH3+ -141:sc= -2.98 (180deg=-6.44!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ -174:sc= -2.55! (180deg=-2.7!) USER MOD Single : A 98 LYS NZ :NH3+ -149:sc= -0.129 (180deg=-0.438) USER MOD Single : B 1 MET CE :methyl 179:sc= -5.24! (180deg=-5.35!) USER MOD Single : B 1 MET N :NH3+ -168:sc= -1.2 (180deg=-1.49) USER MOD Single : B 5 THR OG1 : rot -132:sc= 0.836 USER MOD Single : B 7 THR OG1 : rot 180:sc= -0.138 USER MOD Single : B 18 SER OG : rot 102:sc= 1.13 USER MOD Single : B 19 THR OG1 : rot 29:sc= -2.34! USER MOD Single : B 22 THR OG1 : rot -63:sc= 1.21 USER MOD Single : B 30 LYS NZ :NH3+ -168:sc= -0.0396 (180deg=-0.221) USER MOD Single : B 32 SER OG : rot 141:sc= 0.612 USER MOD Single : B 34 ASN : amide:sc= -5.79! C(o=-5.8!,f=-14!) USER MOD Single : B 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 39 LYS NZ :NH3+ -167:sc= -0.0138 (180deg=-0.24) USER MOD Single : B 43 THR OG1 : rot -126:sc= 1.21 USER MOD Single : B 44 GLN : amide:sc= 0 X(o=0,f=-0.036) USER MOD Single : B 48 HIS : no HD1:sc= -7.43! C(o=-7.4!,f=-8.8!) USER MOD Single : B 55 SER OG : rot 180:sc= 0 USER MOD Single : B 59 LYS NZ :NH3+ 173:sc= -0.0566 (180deg=-0.0869) USER MOD Single : B 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 62 THR OG1 : rot -170:sc= -0.358 USER MOD Single : B 66 ASN : amide:sc= -4.63! C(o=-4.6!,f=-10!) USER MOD Single : B 67 GLN : amide:sc= -7.49! C(o=-7.5!,f=-8.1!) USER MOD Single : B 69 SER OG : rot -146:sc= 0.464 USER MOD Single : B 74 SER OG : rot 180:sc=-0.00231 USER MOD Single : B 76 TYR OH : rot 50:sc= 0.426 USER MOD Single : B 85 LYS NZ :NH3+ 173:sc= 2.07 (180deg=1.98) USER MOD Single : B 89 LYS NZ :NH3+ -134:sc= -3.99! (180deg=-8.14!) USER MOD Single : B 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 97 LYS NZ :NH3+ 179:sc= -2.62! (180deg=-2.76!) USER MOD Single : B 98 LYS NZ :NH3+ -166:sc= -0.105 (180deg=-0.42) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -18.635 3.978 -2.485 1.00 0.64 N ATOM 2 CA MET A 1 -17.947 5.222 -2.925 1.00 0.59 C ATOM 3 C MET A 1 -16.663 4.914 -3.666 1.00 0.60 C ATOM 4 O MET A 1 -16.331 3.754 -3.910 1.00 0.61 O ATOM 5 CB MET A 1 -17.603 6.123 -1.731 1.00 0.57 C ATOM 6 CG MET A 1 -18.737 7.014 -1.194 1.00 0.61 C ATOM 7 SD MET A 1 -20.351 6.781 -2.001 1.00 0.96 S ATOM 8 CE MET A 1 -21.441 7.757 -0.968 1.00 1.17 C ATOM 0 H1 MET A 1 -19.592 4.210 -2.150 1.00 0.64 H new ATOM 0 H2 MET A 1 -18.699 3.316 -3.284 1.00 0.64 H new ATOM 0 H3 MET A 1 -18.095 3.537 -1.713 1.00 0.64 H new ATOM 0 HA MET A 1 -18.641 5.737 -3.590 1.00 0.59 H new ATOM 0 HB2 MET A 1 -17.251 5.490 -0.916 1.00 0.57 H new ATOM 0 HB3 MET A 1 -16.771 6.766 -2.017 1.00 0.57 H new ATOM 0 HG2 MET A 1 -18.852 6.825 -0.127 1.00 0.61 H new ATOM 0 HG3 MET A 1 -18.441 8.057 -1.303 1.00 0.61 H new ATOM 0 HE1 MET A 1 -22.458 7.374 -1.049 1.00 1.17 H new ATOM 0 HE2 MET A 1 -21.112 7.695 0.069 1.00 1.17 H new ATOM 0 HE3 MET A 1 -21.417 8.797 -1.294 1.00 1.17 H new ATOM 20 N ALA A 2 -15.960 5.972 -4.046 1.00 0.62 N ATOM 21 CA ALA A 2 -14.698 5.832 -4.741 1.00 0.65 C ATOM 22 C ALA A 2 -13.537 6.293 -3.877 1.00 0.62 C ATOM 23 O ALA A 2 -13.485 7.446 -3.449 1.00 0.72 O ATOM 24 CB ALA A 2 -14.722 6.603 -6.049 1.00 0.73 C ATOM 0 H ALA A 2 -16.247 6.937 -3.882 1.00 0.62 H new ATOM 0 HA ALA A 2 -14.554 4.774 -4.960 1.00 0.65 H new ATOM 0 HB1 ALA A 2 -13.765 6.486 -6.558 1.00 0.73 H new ATOM 0 HB2 ALA A 2 -15.520 6.218 -6.684 1.00 0.73 H new ATOM 0 HB3 ALA A 2 -14.898 7.659 -5.846 1.00 0.73 H new ATOM 30 N ALA A 3 -12.599 5.394 -3.626 1.00 0.73 N ATOM 31 CA ALA A 3 -11.443 5.737 -2.828 1.00 0.76 C ATOM 32 C ALA A 3 -10.589 6.707 -3.611 1.00 0.66 C ATOM 33 O ALA A 3 -9.753 6.309 -4.424 1.00 0.81 O ATOM 34 CB ALA A 3 -10.657 4.491 -2.446 1.00 1.06 C ATOM 0 H ALA A 3 -12.618 4.431 -3.962 1.00 0.73 H new ATOM 0 HA ALA A 3 -11.763 6.207 -1.898 1.00 0.76 H new ATOM 0 HB1 ALA A 3 -9.793 4.776 -1.846 1.00 1.06 H new ATOM 0 HB2 ALA A 3 -11.295 3.821 -1.869 1.00 1.06 H new ATOM 0 HB3 ALA A 3 -10.320 3.982 -3.349 1.00 1.06 H new ATOM 40 N GLU A 4 -10.810 7.986 -3.361 1.00 0.63 N ATOM 41 CA GLU A 4 -10.091 9.025 -4.064 1.00 0.75 C ATOM 42 C GLU A 4 -8.617 8.998 -3.683 1.00 0.74 C ATOM 43 O GLU A 4 -7.810 8.385 -4.381 1.00 0.85 O ATOM 44 CB GLU A 4 -10.720 10.388 -3.766 1.00 0.97 C ATOM 45 CG GLU A 4 -10.032 11.546 -4.466 1.00 1.44 C ATOM 46 CD GLU A 4 -9.863 11.309 -5.954 1.00 2.42 C ATOM 47 OE1 GLU A 4 -10.809 11.604 -6.714 1.00 3.03 O ATOM 48 OE2 GLU A 4 -8.785 10.826 -6.359 1.00 3.20 O ATOM 0 H GLU A 4 -11.483 8.327 -2.675 1.00 0.63 H new ATOM 0 HA GLU A 4 -10.160 8.847 -5.137 1.00 0.75 H new ATOM 0 HB2 GLU A 4 -11.768 10.367 -4.064 1.00 0.97 H new ATOM 0 HB3 GLU A 4 -10.697 10.561 -2.690 1.00 0.97 H new ATOM 0 HG2 GLU A 4 -10.611 12.456 -4.310 1.00 1.44 H new ATOM 0 HG3 GLU A 4 -9.054 11.710 -4.014 1.00 1.44 H new ATOM 55 N THR A 5 -8.255 9.654 -2.589 1.00 0.69 N ATOM 56 CA THR A 5 -6.859 9.653 -2.170 1.00 0.74 C ATOM 57 C THR A 5 -6.584 8.858 -0.874 1.00 0.61 C ATOM 58 O THR A 5 -6.552 7.632 -0.890 1.00 0.78 O ATOM 59 CB THR A 5 -6.314 11.081 -2.031 1.00 0.93 C ATOM 60 OG1 THR A 5 -6.437 11.776 -3.278 1.00 1.43 O ATOM 61 CG2 THR A 5 -4.855 11.058 -1.595 1.00 1.09 C ATOM 0 H THR A 5 -8.889 10.181 -1.989 1.00 0.69 H new ATOM 0 HA THR A 5 -6.330 9.134 -2.969 1.00 0.74 H new ATOM 0 HB THR A 5 -6.897 11.600 -1.270 1.00 0.93 H new ATOM 0 HG1 THR A 5 -5.747 12.469 -3.336 1.00 1.43 H new ATOM 0 HG21 THR A 5 -4.487 12.080 -1.502 1.00 1.09 H new ATOM 0 HG22 THR A 5 -4.771 10.553 -0.633 1.00 1.09 H new ATOM 0 HG23 THR A 5 -4.262 10.525 -2.338 1.00 1.09 H new ATOM 69 N LEU A 6 -6.386 9.569 0.250 1.00 0.54 N ATOM 70 CA LEU A 6 -6.034 8.942 1.507 1.00 0.50 C ATOM 71 C LEU A 6 -7.177 8.177 2.134 1.00 0.49 C ATOM 72 O LEU A 6 -7.877 8.711 2.994 1.00 0.56 O ATOM 73 CB LEU A 6 -5.588 9.988 2.523 1.00 0.61 C ATOM 74 CG LEU A 6 -4.265 10.684 2.250 1.00 0.75 C ATOM 75 CD1 LEU A 6 -4.233 12.004 3.000 1.00 1.15 C ATOM 76 CD2 LEU A 6 -3.091 9.819 2.672 1.00 1.07 C ATOM 0 H LEU A 6 -6.468 10.585 0.299 1.00 0.54 H new ATOM 0 HA LEU A 6 -5.231 8.246 1.265 1.00 0.50 H new ATOM 0 HB2 LEU A 6 -6.365 10.749 2.591 1.00 0.61 H new ATOM 0 HB3 LEU A 6 -5.525 9.508 3.500 1.00 0.61 H new ATOM 0 HG LEU A 6 -4.179 10.863 1.178 1.00 0.75 H new ATOM 0 HD11 LEU A 6 -3.286 12.509 2.808 1.00 1.15 H new ATOM 0 HD12 LEU A 6 -5.055 12.635 2.662 1.00 1.15 H new ATOM 0 HD13 LEU A 6 -4.335 11.818 4.069 1.00 1.15 H new ATOM 0 HD21 LEU A 6 -2.159 10.344 2.464 1.00 1.07 H new ATOM 0 HD22 LEU A 6 -3.159 9.609 3.739 1.00 1.07 H new ATOM 0 HD23 LEU A 6 -3.111 8.882 2.116 1.00 1.07 H new ATOM 88 N THR A 7 -7.394 6.948 1.719 1.00 0.50 N ATOM 89 CA THR A 7 -8.428 6.172 2.363 1.00 0.54 C ATOM 90 C THR A 7 -7.943 5.881 3.755 1.00 0.48 C ATOM 91 O THR A 7 -6.771 6.080 4.033 1.00 0.54 O ATOM 92 CB THR A 7 -8.760 4.849 1.650 1.00 0.62 C ATOM 93 OG1 THR A 7 -7.880 4.647 0.538 1.00 0.85 O ATOM 94 CG2 THR A 7 -10.206 4.823 1.180 1.00 0.83 C ATOM 0 H THR A 7 -6.889 6.479 0.967 1.00 0.50 H new ATOM 0 HA THR A 7 -9.351 6.751 2.344 1.00 0.54 H new ATOM 0 HB THR A 7 -8.621 4.040 2.367 1.00 0.62 H new ATOM 0 HG1 THR A 7 -8.101 3.801 0.095 1.00 0.85 H new ATOM 0 HG21 THR A 7 -10.409 3.876 0.680 1.00 0.83 H new ATOM 0 HG22 THR A 7 -10.869 4.930 2.038 1.00 0.83 H new ATOM 0 HG23 THR A 7 -10.377 5.644 0.484 1.00 0.83 H new ATOM 102 N GLU A 8 -8.817 5.409 4.629 1.00 0.45 N ATOM 103 CA GLU A 8 -8.410 5.088 6.008 1.00 0.44 C ATOM 104 C GLU A 8 -7.039 4.407 6.033 1.00 0.41 C ATOM 105 O GLU A 8 -6.298 4.504 7.012 1.00 0.42 O ATOM 106 CB GLU A 8 -9.422 4.187 6.701 1.00 0.50 C ATOM 107 CG GLU A 8 -10.869 4.482 6.342 1.00 0.52 C ATOM 108 CD GLU A 8 -11.226 5.944 6.522 1.00 1.09 C ATOM 109 OE1 GLU A 8 -11.558 6.337 7.660 1.00 1.67 O ATOM 110 OE2 GLU A 8 -11.172 6.695 5.527 1.00 1.94 O ATOM 0 H GLU A 8 -9.801 5.238 4.423 1.00 0.45 H new ATOM 0 HA GLU A 8 -8.357 6.035 6.545 1.00 0.44 H new ATOM 0 HB2 GLU A 8 -9.201 3.150 6.448 1.00 0.50 H new ATOM 0 HB3 GLU A 8 -9.300 4.285 7.780 1.00 0.50 H new ATOM 0 HG2 GLU A 8 -11.049 4.192 5.307 1.00 0.52 H new ATOM 0 HG3 GLU A 8 -11.525 3.872 6.963 1.00 0.52 H new ATOM 117 N LEU A 9 -6.718 3.723 4.939 1.00 0.41 N ATOM 118 CA LEU A 9 -5.451 3.044 4.793 1.00 0.40 C ATOM 119 C LEU A 9 -4.287 3.990 5.058 1.00 0.38 C ATOM 120 O LEU A 9 -3.207 3.554 5.451 1.00 0.39 O ATOM 121 CB LEU A 9 -5.344 2.521 3.369 1.00 0.45 C ATOM 122 CG LEU A 9 -6.603 1.871 2.783 1.00 0.57 C ATOM 123 CD1 LEU A 9 -6.237 1.011 1.591 1.00 0.93 C ATOM 124 CD2 LEU A 9 -7.386 1.064 3.821 1.00 0.92 C ATOM 0 H LEU A 9 -7.335 3.629 4.132 1.00 0.41 H new ATOM 0 HA LEU A 9 -5.405 2.229 5.515 1.00 0.40 H new ATOM 0 HB2 LEU A 9 -5.055 3.349 2.722 1.00 0.45 H new ATOM 0 HB3 LEU A 9 -4.535 1.791 3.333 1.00 0.45 H new ATOM 0 HG LEU A 9 -7.263 2.675 2.456 1.00 0.57 H new ATOM 0 HD11 LEU A 9 -7.138 0.554 1.182 1.00 0.93 H new ATOM 0 HD12 LEU A 9 -5.765 1.629 0.827 1.00 0.93 H new ATOM 0 HD13 LEU A 9 -5.544 0.230 1.905 1.00 0.93 H new ATOM 0 HD21 LEU A 9 -8.267 0.626 3.352 1.00 0.92 H new ATOM 0 HD22 LEU A 9 -6.753 0.270 4.217 1.00 0.92 H new ATOM 0 HD23 LEU A 9 -7.696 1.721 4.634 1.00 0.92 H new ATOM 136 N GLU A 10 -4.509 5.289 4.849 1.00 0.38 N ATOM 137 CA GLU A 10 -3.464 6.284 5.076 1.00 0.39 C ATOM 138 C GLU A 10 -2.871 6.081 6.464 1.00 0.38 C ATOM 139 O GLU A 10 -1.670 6.215 6.668 1.00 0.40 O ATOM 140 CB GLU A 10 -4.021 7.697 4.933 1.00 0.46 C ATOM 141 CG GLU A 10 -5.430 7.849 5.453 1.00 0.45 C ATOM 142 CD GLU A 10 -5.567 8.977 6.455 1.00 0.56 C ATOM 143 OE1 GLU A 10 -4.789 9.951 6.362 1.00 1.16 O ATOM 144 OE2 GLU A 10 -6.446 8.885 7.336 1.00 1.27 O ATOM 0 H GLU A 10 -5.397 5.673 4.525 1.00 0.38 H new ATOM 0 HA GLU A 10 -2.682 6.158 4.327 1.00 0.39 H new ATOM 0 HB2 GLU A 10 -3.370 8.390 5.465 1.00 0.46 H new ATOM 0 HB3 GLU A 10 -3.998 7.982 3.881 1.00 0.46 H new ATOM 0 HG2 GLU A 10 -6.104 8.029 4.616 1.00 0.45 H new ATOM 0 HG3 GLU A 10 -5.743 6.915 5.919 1.00 0.45 H new ATOM 151 N ALA A 11 -3.740 5.751 7.416 1.00 0.39 N ATOM 152 CA ALA A 11 -3.309 5.482 8.781 1.00 0.39 C ATOM 153 C ALA A 11 -2.289 4.358 8.772 1.00 0.36 C ATOM 154 O ALA A 11 -1.353 4.339 9.571 1.00 0.39 O ATOM 155 CB ALA A 11 -4.502 5.118 9.655 1.00 0.42 C ATOM 0 H ALA A 11 -4.745 5.664 7.266 1.00 0.39 H new ATOM 0 HA ALA A 11 -2.850 6.378 9.197 1.00 0.39 H new ATOM 0 HB1 ALA A 11 -4.162 4.920 10.671 1.00 0.42 H new ATOM 0 HB2 ALA A 11 -5.212 5.945 9.665 1.00 0.42 H new ATOM 0 HB3 ALA A 11 -4.988 4.228 9.255 1.00 0.42 H new ATOM 161 N ALA A 12 -2.486 3.418 7.856 1.00 0.33 N ATOM 162 CA ALA A 12 -1.573 2.300 7.700 1.00 0.33 C ATOM 163 C ALA A 12 -0.244 2.790 7.145 1.00 0.33 C ATOM 164 O ALA A 12 0.793 2.155 7.337 1.00 0.34 O ATOM 165 CB ALA A 12 -2.176 1.237 6.792 1.00 0.34 C ATOM 0 H ALA A 12 -3.274 3.411 7.209 1.00 0.33 H new ATOM 0 HA ALA A 12 -1.400 1.849 8.677 1.00 0.33 H new ATOM 0 HB1 ALA A 12 -1.476 0.408 6.688 1.00 0.34 H new ATOM 0 HB2 ALA A 12 -3.107 0.873 7.226 1.00 0.34 H new ATOM 0 HB3 ALA A 12 -2.377 1.668 5.811 1.00 0.34 H new ATOM 171 N ILE A 13 -0.283 3.930 6.454 1.00 0.36 N ATOM 172 CA ILE A 13 0.924 4.510 5.891 1.00 0.40 C ATOM 173 C ILE A 13 1.978 4.673 6.988 1.00 0.39 C ATOM 174 O ILE A 13 3.179 4.630 6.727 1.00 0.42 O ATOM 175 CB ILE A 13 0.630 5.871 5.187 1.00 0.47 C ATOM 176 CG1 ILE A 13 1.535 6.039 3.963 1.00 0.90 C ATOM 177 CG2 ILE A 13 0.789 7.068 6.128 1.00 0.99 C ATOM 178 CD1 ILE A 13 1.316 4.987 2.900 1.00 2.05 C ATOM 0 H ILE A 13 -1.134 4.463 6.275 1.00 0.36 H new ATOM 0 HA ILE A 13 1.310 3.833 5.128 1.00 0.40 H new ATOM 0 HB ILE A 13 -0.413 5.848 4.872 1.00 0.47 H new ATOM 0 HG12 ILE A 13 1.365 7.024 3.528 1.00 0.90 H new ATOM 0 HG13 ILE A 13 2.576 6.008 4.284 1.00 0.90 H new ATOM 0 HG21 ILE A 13 0.572 7.988 5.586 1.00 0.99 H new ATOM 0 HG22 ILE A 13 0.097 6.968 6.964 1.00 0.99 H new ATOM 0 HG23 ILE A 13 1.811 7.101 6.505 1.00 0.99 H new ATOM 0 HD11 ILE A 13 1.991 5.169 2.064 1.00 2.05 H new ATOM 0 HD12 ILE A 13 1.514 4.000 3.318 1.00 2.05 H new ATOM 0 HD13 ILE A 13 0.285 5.032 2.550 1.00 2.05 H new ATOM 190 N GLU A 14 1.495 4.854 8.219 1.00 0.39 N ATOM 191 CA GLU A 14 2.359 5.031 9.379 1.00 0.42 C ATOM 192 C GLU A 14 3.196 3.787 9.648 1.00 0.38 C ATOM 193 O GLU A 14 4.398 3.883 9.894 1.00 0.46 O ATOM 194 CB GLU A 14 1.520 5.366 10.614 1.00 0.46 C ATOM 195 CG GLU A 14 0.693 6.631 10.460 1.00 0.79 C ATOM 196 CD GLU A 14 -0.151 6.927 11.684 1.00 1.46 C ATOM 197 OE1 GLU A 14 0.347 7.623 12.596 1.00 2.02 O ATOM 198 OE2 GLU A 14 -1.311 6.466 11.732 1.00 2.25 O ATOM 0 H GLU A 14 0.499 4.881 8.435 1.00 0.39 H new ATOM 0 HA GLU A 14 3.038 5.856 9.164 1.00 0.42 H new ATOM 0 HB2 GLU A 14 0.854 4.530 10.829 1.00 0.46 H new ATOM 0 HB3 GLU A 14 2.181 5.476 11.474 1.00 0.46 H new ATOM 0 HG2 GLU A 14 1.357 7.474 10.268 1.00 0.79 H new ATOM 0 HG3 GLU A 14 0.043 6.533 9.590 1.00 0.79 H new ATOM 205 N THR A 15 2.567 2.614 9.604 1.00 0.30 N ATOM 206 CA THR A 15 3.297 1.373 9.852 1.00 0.28 C ATOM 207 C THR A 15 4.361 1.169 8.785 1.00 0.29 C ATOM 208 O THR A 15 5.549 1.038 9.080 1.00 0.35 O ATOM 209 CB THR A 15 2.373 0.141 9.856 1.00 0.28 C ATOM 210 OG1 THR A 15 1.324 0.301 10.818 1.00 0.29 O ATOM 211 CG2 THR A 15 3.166 -1.119 10.175 1.00 0.32 C ATOM 0 H THR A 15 1.574 2.497 9.403 1.00 0.30 H new ATOM 0 HA THR A 15 3.751 1.469 10.838 1.00 0.28 H new ATOM 0 HB THR A 15 1.934 0.046 8.863 1.00 0.28 H new ATOM 0 HG1 THR A 15 1.111 -0.568 11.217 1.00 0.29 H new ATOM 0 HG21 THR A 15 2.497 -1.980 10.174 1.00 0.32 H new ATOM 0 HG22 THR A 15 3.942 -1.261 9.423 1.00 0.32 H new ATOM 0 HG23 THR A 15 3.627 -1.020 11.158 1.00 0.32 H new ATOM 219 N VAL A 16 3.908 1.145 7.542 1.00 0.27 N ATOM 220 CA VAL A 16 4.776 0.964 6.391 1.00 0.28 C ATOM 221 C VAL A 16 5.904 1.991 6.365 1.00 0.30 C ATOM 222 O VAL A 16 7.064 1.642 6.145 1.00 0.36 O ATOM 223 CB VAL A 16 3.956 1.067 5.096 1.00 0.30 C ATOM 224 CG1 VAL A 16 3.219 2.391 5.044 1.00 0.33 C ATOM 225 CG2 VAL A 16 4.844 0.906 3.878 1.00 0.33 C ATOM 0 H VAL A 16 2.922 1.251 7.302 1.00 0.27 H new ATOM 0 HA VAL A 16 5.225 -0.026 6.469 1.00 0.28 H new ATOM 0 HB VAL A 16 3.225 0.259 5.090 1.00 0.30 H new ATOM 0 HG11 VAL A 16 2.642 2.450 4.121 1.00 0.33 H new ATOM 0 HG12 VAL A 16 2.546 2.467 5.898 1.00 0.33 H new ATOM 0 HG13 VAL A 16 3.938 3.209 5.075 1.00 0.33 H new ATOM 0 HG21 VAL A 16 4.239 0.983 2.974 1.00 0.33 H new ATOM 0 HG22 VAL A 16 5.603 1.689 3.875 1.00 0.33 H new ATOM 0 HG23 VAL A 16 5.329 -0.070 3.908 1.00 0.33 H new ATOM 235 N VAL A 17 5.564 3.255 6.587 1.00 0.31 N ATOM 236 CA VAL A 17 6.563 4.315 6.572 1.00 0.33 C ATOM 237 C VAL A 17 7.446 4.255 7.815 1.00 0.30 C ATOM 238 O VAL A 17 8.647 4.518 7.756 1.00 0.32 O ATOM 239 CB VAL A 17 5.913 5.712 6.479 1.00 0.43 C ATOM 240 CG1 VAL A 17 5.181 6.063 7.767 1.00 0.45 C ATOM 241 CG2 VAL A 17 6.961 6.766 6.155 1.00 0.50 C ATOM 0 H VAL A 17 4.612 3.569 6.778 1.00 0.31 H new ATOM 0 HA VAL A 17 7.176 4.155 5.685 1.00 0.33 H new ATOM 0 HB VAL A 17 5.181 5.691 5.672 1.00 0.43 H new ATOM 0 HG11 VAL A 17 4.733 7.052 7.673 1.00 0.45 H new ATOM 0 HG12 VAL A 17 4.399 5.327 7.953 1.00 0.45 H new ATOM 0 HG13 VAL A 17 5.886 6.062 8.598 1.00 0.45 H new ATOM 0 HG21 VAL A 17 6.486 7.745 6.093 1.00 0.50 H new ATOM 0 HG22 VAL A 17 7.718 6.779 6.939 1.00 0.50 H new ATOM 0 HG23 VAL A 17 7.431 6.530 5.200 1.00 0.50 H new ATOM 251 N SER A 18 6.838 3.918 8.945 1.00 0.33 N ATOM 252 CA SER A 18 7.567 3.826 10.200 1.00 0.40 C ATOM 253 C SER A 18 8.312 2.500 10.318 1.00 0.44 C ATOM 254 O SER A 18 9.105 2.310 11.237 1.00 0.59 O ATOM 255 CB SER A 18 6.616 3.996 11.385 1.00 0.51 C ATOM 256 OG SER A 18 5.957 5.249 11.335 1.00 1.32 O ATOM 0 H SER A 18 5.843 3.704 9.017 1.00 0.33 H new ATOM 0 HA SER A 18 8.302 4.631 10.212 1.00 0.40 H new ATOM 0 HB2 SER A 18 5.878 3.193 11.381 1.00 0.51 H new ATOM 0 HB3 SER A 18 7.174 3.912 12.318 1.00 0.51 H new ATOM 0 HG SER A 18 5.152 5.173 10.781 1.00 1.32 H new ATOM 262 N THR A 19 8.029 1.567 9.419 1.00 0.37 N ATOM 263 CA THR A 19 8.702 0.277 9.444 1.00 0.44 C ATOM 264 C THR A 19 10.057 0.289 8.720 1.00 0.46 C ATOM 265 O THR A 19 11.081 0.632 9.308 1.00 0.54 O ATOM 266 CB THR A 19 7.807 -0.857 8.887 1.00 0.45 C ATOM 267 OG1 THR A 19 7.018 -0.390 7.780 1.00 0.42 O ATOM 268 CG2 THR A 19 6.885 -1.398 9.972 1.00 0.49 C ATOM 0 H THR A 19 7.345 1.678 8.671 1.00 0.37 H new ATOM 0 HA THR A 19 8.899 0.076 10.497 1.00 0.44 H new ATOM 0 HB THR A 19 8.463 -1.657 8.543 1.00 0.45 H new ATOM 0 HG1 THR A 19 7.503 0.320 7.309 1.00 0.42 H new ATOM 0 HG21 THR A 19 6.265 -2.194 9.559 1.00 0.49 H new ATOM 0 HG22 THR A 19 7.483 -1.793 10.794 1.00 0.49 H new ATOM 0 HG23 THR A 19 6.247 -0.595 10.341 1.00 0.49 H new ATOM 276 N PHE A 20 10.048 -0.088 7.443 1.00 0.45 N ATOM 277 CA PHE A 20 11.264 -0.177 6.641 1.00 0.54 C ATOM 278 C PHE A 20 11.651 1.141 6.051 1.00 0.52 C ATOM 279 O PHE A 20 12.832 1.459 5.934 1.00 0.64 O ATOM 280 CB PHE A 20 11.100 -1.191 5.525 1.00 0.60 C ATOM 281 CG PHE A 20 12.406 -1.554 4.904 1.00 0.72 C ATOM 282 CD1 PHE A 20 13.427 -2.037 5.701 1.00 1.60 C ATOM 283 CD2 PHE A 20 12.628 -1.398 3.547 1.00 1.26 C ATOM 284 CE1 PHE A 20 14.647 -2.364 5.161 1.00 1.77 C ATOM 285 CE2 PHE A 20 13.854 -1.723 2.998 1.00 1.37 C ATOM 286 CZ PHE A 20 14.864 -2.208 3.810 1.00 1.18 C ATOM 0 H PHE A 20 9.199 -0.340 6.937 1.00 0.45 H new ATOM 0 HA PHE A 20 12.058 -0.496 7.317 1.00 0.54 H new ATOM 0 HB2 PHE A 20 10.623 -2.089 5.918 1.00 0.60 H new ATOM 0 HB3 PHE A 20 10.436 -0.786 4.762 1.00 0.60 H new ATOM 0 HD1 PHE A 20 13.263 -2.159 6.762 1.00 1.60 H new ATOM 0 HD2 PHE A 20 11.839 -1.020 2.914 1.00 1.26 H new ATOM 0 HE1 PHE A 20 15.435 -2.743 5.795 1.00 1.77 H new ATOM 0 HE2 PHE A 20 14.023 -1.599 1.939 1.00 1.37 H new ATOM 0 HZ PHE A 20 15.823 -2.464 3.384 1.00 1.18 H new ATOM 296 N PHE A 21 10.657 1.915 5.673 1.00 0.44 N ATOM 297 CA PHE A 21 10.912 3.211 5.097 1.00 0.47 C ATOM 298 C PHE A 21 11.779 4.017 6.051 1.00 0.49 C ATOM 299 O PHE A 21 12.426 4.982 5.663 1.00 0.62 O ATOM 300 CB PHE A 21 9.586 3.908 4.787 1.00 0.48 C ATOM 301 CG PHE A 21 8.732 3.190 3.754 1.00 0.45 C ATOM 302 CD1 PHE A 21 9.142 1.979 3.210 1.00 1.16 C ATOM 303 CD2 PHE A 21 7.507 3.716 3.344 1.00 1.39 C ATOM 304 CE1 PHE A 21 8.359 1.317 2.283 1.00 1.13 C ATOM 305 CE2 PHE A 21 6.720 3.050 2.419 1.00 1.44 C ATOM 306 CZ PHE A 21 7.148 1.854 1.891 1.00 0.54 C ATOM 0 H PHE A 21 9.671 1.669 5.755 1.00 0.44 H new ATOM 0 HA PHE A 21 11.453 3.112 4.156 1.00 0.47 H new ATOM 0 HB2 PHE A 21 9.015 4.005 5.710 1.00 0.48 H new ATOM 0 HB3 PHE A 21 9.793 4.918 4.433 1.00 0.48 H new ATOM 0 HD1 PHE A 21 10.085 1.549 3.515 1.00 1.16 H new ATOM 0 HD2 PHE A 21 7.167 4.656 3.754 1.00 1.39 H new ATOM 0 HE1 PHE A 21 8.694 0.379 1.865 1.00 1.13 H new ATOM 0 HE2 PHE A 21 5.773 3.469 2.113 1.00 1.44 H new ATOM 0 HZ PHE A 21 6.536 1.334 1.169 1.00 0.54 H new ATOM 316 N THR A 22 11.797 3.608 7.310 1.00 0.47 N ATOM 317 CA THR A 22 12.645 4.271 8.281 1.00 0.54 C ATOM 318 C THR A 22 14.110 4.148 7.877 1.00 0.49 C ATOM 319 O THR A 22 14.954 4.915 8.340 1.00 0.54 O ATOM 320 CB THR A 22 12.470 3.667 9.672 1.00 0.66 C ATOM 321 OG1 THR A 22 12.868 2.305 9.643 1.00 0.66 O ATOM 322 CG2 THR A 22 11.034 3.792 10.128 1.00 0.81 C ATOM 0 H THR A 22 11.244 2.834 7.677 1.00 0.47 H new ATOM 0 HA THR A 22 12.351 5.320 8.308 1.00 0.54 H new ATOM 0 HB THR A 22 13.095 4.209 10.382 1.00 0.66 H new ATOM 0 HG1 THR A 22 12.240 1.792 9.092 1.00 0.66 H new ATOM 0 HG21 THR A 22 10.928 3.356 11.121 1.00 0.81 H new ATOM 0 HG22 THR A 22 10.753 4.845 10.162 1.00 0.81 H new ATOM 0 HG23 THR A 22 10.383 3.265 9.430 1.00 0.81 H new ATOM 330 N PHE A 23 14.415 3.173 7.009 1.00 0.49 N ATOM 331 CA PHE A 23 15.794 2.967 6.578 1.00 0.51 C ATOM 332 C PHE A 23 16.291 4.201 5.825 1.00 0.44 C ATOM 333 O PHE A 23 17.496 4.413 5.698 1.00 0.45 O ATOM 334 CB PHE A 23 15.941 1.625 5.800 1.00 0.68 C ATOM 335 CG PHE A 23 16.093 1.688 4.305 1.00 0.61 C ATOM 336 CD1 PHE A 23 17.118 2.403 3.704 1.00 1.47 C ATOM 337 CD2 PHE A 23 15.220 0.985 3.498 1.00 1.46 C ATOM 338 CE1 PHE A 23 17.259 2.421 2.341 1.00 1.88 C ATOM 339 CE2 PHE A 23 15.359 0.999 2.130 1.00 1.93 C ATOM 340 CZ PHE A 23 16.380 1.722 1.555 1.00 1.82 C ATOM 0 H PHE A 23 13.737 2.529 6.602 1.00 0.49 H new ATOM 0 HA PHE A 23 16.447 2.859 7.444 1.00 0.51 H new ATOM 0 HB2 PHE A 23 16.807 1.099 6.202 1.00 0.68 H new ATOM 0 HB3 PHE A 23 15.066 1.013 6.021 1.00 0.68 H new ATOM 0 HD1 PHE A 23 17.815 2.953 4.319 1.00 1.47 H new ATOM 0 HD2 PHE A 23 14.418 0.417 3.947 1.00 1.46 H new ATOM 0 HE1 PHE A 23 18.061 2.985 1.887 1.00 1.88 H new ATOM 0 HE2 PHE A 23 14.670 0.445 1.509 1.00 1.93 H new ATOM 0 HZ PHE A 23 16.489 1.738 0.481 1.00 1.82 H new ATOM 350 N ALA A 24 15.351 5.065 5.406 1.00 0.50 N ATOM 351 CA ALA A 24 15.692 6.321 4.711 1.00 0.58 C ATOM 352 C ALA A 24 16.889 6.967 5.378 1.00 0.60 C ATOM 353 O ALA A 24 17.769 7.537 4.732 1.00 0.65 O ATOM 354 CB ALA A 24 14.516 7.289 4.767 1.00 0.71 C ATOM 0 H ALA A 24 14.350 4.918 5.536 1.00 0.50 H new ATOM 0 HA ALA A 24 15.925 6.090 3.671 1.00 0.58 H new ATOM 0 HB1 ALA A 24 14.780 8.212 4.251 1.00 0.71 H new ATOM 0 HB2 ALA A 24 13.650 6.838 4.283 1.00 0.71 H new ATOM 0 HB3 ALA A 24 14.276 7.511 5.807 1.00 0.71 H new ATOM 360 N GLY A 25 16.887 6.852 6.695 1.00 0.68 N ATOM 361 CA GLY A 25 17.953 7.387 7.517 1.00 0.81 C ATOM 362 C GLY A 25 19.335 7.193 6.907 1.00 0.71 C ATOM 363 O GLY A 25 20.238 7.998 7.139 1.00 0.80 O ATOM 0 H GLY A 25 16.148 6.386 7.221 1.00 0.68 H new ATOM 0 HA2 GLY A 25 17.780 8.451 7.678 1.00 0.81 H new ATOM 0 HA3 GLY A 25 17.924 6.908 8.496 1.00 0.81 H new ATOM 367 N ARG A 26 19.499 6.128 6.122 1.00 0.60 N ATOM 368 CA ARG A 26 20.779 5.841 5.472 1.00 0.59 C ATOM 369 C ARG A 26 21.349 7.086 4.810 1.00 0.57 C ATOM 370 O ARG A 26 22.548 7.355 4.893 1.00 0.71 O ATOM 371 CB ARG A 26 20.608 4.750 4.417 1.00 0.61 C ATOM 372 CG ARG A 26 20.724 3.343 4.963 1.00 1.17 C ATOM 373 CD ARG A 26 22.169 2.941 5.189 1.00 0.97 C ATOM 374 NE ARG A 26 22.723 3.528 6.406 1.00 1.55 N ATOM 375 CZ ARG A 26 24.028 3.619 6.649 1.00 1.95 C ATOM 376 NH1 ARG A 26 24.903 3.177 5.756 1.00 2.01 N ATOM 377 NH2 ARG A 26 24.457 4.154 7.783 1.00 2.82 N ATOM 0 H ARG A 26 18.763 5.451 5.921 1.00 0.60 H new ATOM 0 HA ARG A 26 21.470 5.501 6.243 1.00 0.59 H new ATOM 0 HB2 ARG A 26 19.633 4.866 3.944 1.00 0.61 H new ATOM 0 HB3 ARG A 26 21.359 4.890 3.639 1.00 0.61 H new ATOM 0 HG2 ARG A 26 20.176 3.272 5.903 1.00 1.17 H new ATOM 0 HG3 ARG A 26 20.257 2.644 4.268 1.00 1.17 H new ATOM 0 HD2 ARG A 26 22.237 1.855 5.249 1.00 0.97 H new ATOM 0 HD3 ARG A 26 22.768 3.251 4.333 1.00 0.97 H new ATOM 0 HE ARG A 26 22.075 3.887 7.107 1.00 1.55 H new ATOM 0 HH11 ARG A 26 24.576 2.767 4.881 1.00 2.01 H new ATOM 0 HH12 ARG A 26 25.903 3.247 5.944 1.00 2.01 H new ATOM 0 HH21 ARG A 26 23.786 4.497 8.471 1.00 2.82 H new ATOM 0 HH22 ARG A 26 25.458 4.223 7.968 1.00 2.82 H new ATOM 391 N GLU A 27 20.479 7.843 4.154 1.00 0.50 N ATOM 392 CA GLU A 27 20.891 9.064 3.480 1.00 0.58 C ATOM 393 C GLU A 27 20.846 10.237 4.452 1.00 0.80 C ATOM 394 O GLU A 27 19.805 10.526 5.042 1.00 1.27 O ATOM 395 CB GLU A 27 19.986 9.337 2.276 1.00 0.98 C ATOM 396 CG GLU A 27 19.900 8.173 1.300 1.00 0.85 C ATOM 397 CD GLU A 27 21.250 7.788 0.727 1.00 1.09 C ATOM 398 OE1 GLU A 27 21.632 8.353 -0.321 1.00 1.63 O ATOM 399 OE2 GLU A 27 21.923 6.921 1.322 1.00 1.78 O ATOM 0 H GLU A 27 19.484 7.632 4.075 1.00 0.50 H new ATOM 0 HA GLU A 27 21.914 8.941 3.124 1.00 0.58 H new ATOM 0 HB2 GLU A 27 18.984 9.576 2.632 1.00 0.98 H new ATOM 0 HB3 GLU A 27 20.354 10.216 1.748 1.00 0.98 H new ATOM 0 HG2 GLU A 27 19.466 7.311 1.806 1.00 0.85 H new ATOM 0 HG3 GLU A 27 19.226 8.437 0.485 1.00 0.85 H new ATOM 406 N GLY A 28 21.986 10.905 4.611 1.00 1.33 N ATOM 407 CA GLY A 28 22.084 12.032 5.527 1.00 1.88 C ATOM 408 C GLY A 28 20.862 12.926 5.531 1.00 1.36 C ATOM 409 O GLY A 28 19.971 12.767 6.365 1.00 1.58 O ATOM 0 H GLY A 28 22.851 10.684 4.118 1.00 1.33 H new ATOM 0 HA2 GLY A 28 22.249 11.654 6.536 1.00 1.88 H new ATOM 0 HA3 GLY A 28 22.957 12.628 5.263 1.00 1.88 H new ATOM 413 N ARG A 29 20.818 13.865 4.595 1.00 1.16 N ATOM 414 CA ARG A 29 19.704 14.802 4.501 1.00 1.06 C ATOM 415 C ARG A 29 18.361 14.097 4.676 1.00 1.13 C ATOM 416 O ARG A 29 18.277 12.871 4.599 1.00 1.73 O ATOM 417 CB ARG A 29 19.739 15.532 3.153 1.00 1.38 C ATOM 418 CG ARG A 29 18.639 16.568 2.993 1.00 1.78 C ATOM 419 CD ARG A 29 18.767 17.327 1.683 1.00 2.37 C ATOM 420 NE ARG A 29 17.761 18.378 1.564 1.00 2.89 N ATOM 421 CZ ARG A 29 17.597 19.121 0.475 1.00 3.59 C ATOM 422 NH1 ARG A 29 18.370 18.926 -0.584 1.00 3.91 N ATOM 423 NH2 ARG A 29 16.660 20.058 0.443 1.00 4.31 N ATOM 0 H ARG A 29 21.542 13.999 3.889 1.00 1.16 H new ATOM 0 HA ARG A 29 19.811 15.526 5.308 1.00 1.06 H new ATOM 0 HB2 ARG A 29 20.706 16.021 3.039 1.00 1.38 H new ATOM 0 HB3 ARG A 29 19.656 14.799 2.350 1.00 1.38 H new ATOM 0 HG2 ARG A 29 17.667 16.076 3.035 1.00 1.78 H new ATOM 0 HG3 ARG A 29 18.677 17.270 3.826 1.00 1.78 H new ATOM 0 HD2 ARG A 29 19.762 17.767 1.614 1.00 2.37 H new ATOM 0 HD3 ARG A 29 18.667 16.632 0.849 1.00 2.37 H new ATOM 0 HE ARG A 29 17.150 18.552 2.362 1.00 2.89 H new ATOM 0 HH11 ARG A 29 19.091 18.205 -0.563 1.00 3.91 H new ATOM 0 HH12 ARG A 29 18.244 19.497 -1.420 1.00 3.91 H new ATOM 0 HH21 ARG A 29 16.063 20.210 1.256 1.00 4.31 H new ATOM 0 HH22 ARG A 29 16.536 20.627 -0.394 1.00 4.31 H new ATOM 437 N LYS A 30 17.312 14.880 4.911 1.00 1.04 N ATOM 438 CA LYS A 30 15.976 14.332 5.087 1.00 1.47 C ATOM 439 C LYS A 30 15.193 14.435 3.786 1.00 1.32 C ATOM 440 O LYS A 30 14.104 15.006 3.744 1.00 1.64 O ATOM 441 CB LYS A 30 15.230 15.076 6.194 1.00 2.03 C ATOM 442 CG LYS A 30 16.092 15.390 7.407 1.00 2.65 C ATOM 443 CD LYS A 30 16.575 14.121 8.091 1.00 3.51 C ATOM 444 CE LYS A 30 15.412 13.280 8.589 1.00 4.01 C ATOM 445 NZ LYS A 30 14.546 14.034 9.538 1.00 4.77 N ATOM 0 H LYS A 30 17.364 15.896 4.984 1.00 1.04 H new ATOM 0 HA LYS A 30 16.071 13.284 5.370 1.00 1.47 H new ATOM 0 HB2 LYS A 30 14.833 16.007 5.790 1.00 2.03 H new ATOM 0 HB3 LYS A 30 14.376 14.477 6.511 1.00 2.03 H new ATOM 0 HG2 LYS A 30 16.950 15.988 7.100 1.00 2.65 H new ATOM 0 HG3 LYS A 30 15.521 15.991 8.115 1.00 2.65 H new ATOM 0 HD2 LYS A 30 17.176 13.537 7.394 1.00 3.51 H new ATOM 0 HD3 LYS A 30 17.222 14.382 8.929 1.00 3.51 H new ATOM 0 HE2 LYS A 30 14.815 12.947 7.740 1.00 4.01 H new ATOM 0 HE3 LYS A 30 15.795 12.385 9.080 1.00 4.01 H new ATOM 0 HZ1 LYS A 30 13.903 13.374 10.020 1.00 4.77 H new ATOM 0 HZ2 LYS A 30 15.140 14.516 10.243 1.00 4.77 H new ATOM 0 HZ3 LYS A 30 13.989 14.739 9.014 1.00 4.77 H new ATOM 459 N GLY A 31 15.765 13.880 2.726 1.00 0.95 N ATOM 460 CA GLY A 31 15.112 13.892 1.432 1.00 0.88 C ATOM 461 C GLY A 31 14.422 12.597 1.189 1.00 0.80 C ATOM 462 O GLY A 31 13.220 12.514 1.326 1.00 0.85 O ATOM 0 H GLY A 31 16.675 13.419 2.740 1.00 0.95 H new ATOM 0 HA2 GLY A 31 14.392 14.709 1.388 1.00 0.88 H new ATOM 0 HA3 GLY A 31 15.847 14.073 0.648 1.00 0.88 H new ATOM 466 N SER A 32 15.153 11.576 0.817 1.00 0.74 N ATOM 467 CA SER A 32 14.518 10.299 0.593 1.00 0.71 C ATOM 468 C SER A 32 15.369 9.126 1.022 1.00 0.70 C ATOM 469 O SER A 32 16.511 9.266 1.462 1.00 0.74 O ATOM 470 CB SER A 32 14.126 10.149 -0.865 1.00 0.68 C ATOM 471 OG SER A 32 15.258 10.262 -1.710 1.00 1.10 O ATOM 0 H SER A 32 16.161 11.599 0.666 1.00 0.74 H new ATOM 0 HA SER A 32 13.626 10.288 1.219 1.00 0.71 H new ATOM 0 HB2 SER A 32 13.648 9.182 -1.019 1.00 0.68 H new ATOM 0 HB3 SER A 32 13.393 10.912 -1.129 1.00 0.68 H new ATOM 0 HG SER A 32 15.280 9.504 -2.330 1.00 1.10 H new ATOM 477 N LEU A 33 14.765 7.969 0.873 1.00 0.72 N ATOM 478 CA LEU A 33 15.384 6.697 1.178 1.00 0.74 C ATOM 479 C LEU A 33 15.907 6.120 -0.106 1.00 0.56 C ATOM 480 O LEU A 33 15.410 6.479 -1.173 1.00 0.52 O ATOM 481 CB LEU A 33 14.362 5.772 1.784 1.00 0.99 C ATOM 482 CG LEU A 33 14.694 4.291 1.797 1.00 1.19 C ATOM 483 CD1 LEU A 33 14.124 3.655 3.048 1.00 1.93 C ATOM 484 CD2 LEU A 33 14.139 3.615 0.557 1.00 1.69 C ATOM 0 H LEU A 33 13.809 7.883 0.529 1.00 0.72 H new ATOM 0 HA LEU A 33 16.199 6.825 1.891 1.00 0.74 H new ATOM 0 HB2 LEU A 33 14.186 6.089 2.812 1.00 0.99 H new ATOM 0 HB3 LEU A 33 13.424 5.904 1.245 1.00 0.99 H new ATOM 0 HG LEU A 33 15.777 4.167 1.797 1.00 1.19 H new ATOM 0 HD11 LEU A 33 14.363 2.592 3.057 1.00 1.93 H new ATOM 0 HD12 LEU A 33 14.557 4.131 3.928 1.00 1.93 H new ATOM 0 HD13 LEU A 33 13.042 3.784 3.061 1.00 1.93 H new ATOM 0 HD21 LEU A 33 14.385 2.553 0.580 1.00 1.69 H new ATOM 0 HD22 LEU A 33 13.056 3.736 0.530 1.00 1.69 H new ATOM 0 HD23 LEU A 33 14.577 4.069 -0.332 1.00 1.69 H new ATOM 496 N ASN A 34 16.906 5.249 -0.049 1.00 0.57 N ATOM 497 CA ASN A 34 17.447 4.748 -1.285 1.00 0.47 C ATOM 498 C ASN A 34 17.466 3.223 -1.333 1.00 0.41 C ATOM 499 O ASN A 34 16.409 2.603 -1.350 1.00 0.56 O ATOM 500 CB ASN A 34 18.818 5.379 -1.475 1.00 0.56 C ATOM 501 CG ASN A 34 19.328 5.273 -2.900 1.00 1.37 C ATOM 502 OD1 ASN A 34 20.018 4.318 -3.253 1.00 2.12 O ATOM 503 ND2 ASN A 34 18.994 6.255 -3.729 1.00 2.11 N ATOM 0 H ASN A 34 17.337 4.893 0.804 1.00 0.57 H new ATOM 0 HA ASN A 34 16.807 5.030 -2.121 1.00 0.47 H new ATOM 0 HB2 ASN A 34 18.771 6.430 -1.189 1.00 0.56 H new ATOM 0 HB3 ASN A 34 19.529 4.898 -0.804 1.00 0.56 H new ATOM 0 HD21 ASN A 34 19.312 6.235 -4.698 1.00 2.11 H new ATOM 0 HD22 ASN A 34 18.420 7.030 -3.397 1.00 2.11 H new ATOM 510 N ILE A 35 18.635 2.605 -1.419 1.00 0.54 N ATOM 511 CA ILE A 35 18.694 1.163 -1.443 1.00 0.54 C ATOM 512 C ILE A 35 19.881 0.620 -0.673 1.00 0.56 C ATOM 513 O ILE A 35 20.486 -0.372 -1.069 1.00 0.63 O ATOM 514 CB ILE A 35 18.693 0.585 -2.865 1.00 0.60 C ATOM 515 CG1 ILE A 35 19.436 1.516 -3.816 1.00 0.70 C ATOM 516 CG2 ILE A 35 17.267 0.343 -3.338 1.00 0.66 C ATOM 517 CD1 ILE A 35 20.853 1.791 -3.390 1.00 1.05 C ATOM 0 H ILE A 35 19.538 3.076 -1.472 1.00 0.54 H new ATOM 0 HA ILE A 35 17.779 0.837 -0.948 1.00 0.54 H new ATOM 0 HB ILE A 35 19.212 -0.373 -2.855 1.00 0.60 H new ATOM 0 HG12 ILE A 35 19.442 1.076 -4.813 1.00 0.70 H new ATOM 0 HG13 ILE A 35 18.895 2.460 -3.887 1.00 0.70 H new ATOM 0 HG21 ILE A 35 17.283 -0.067 -4.348 1.00 0.66 H new ATOM 0 HG22 ILE A 35 16.776 -0.363 -2.668 1.00 0.66 H new ATOM 0 HG23 ILE A 35 16.719 1.285 -3.338 1.00 0.66 H new ATOM 0 HD11 ILE A 35 21.326 2.460 -4.109 1.00 1.05 H new ATOM 0 HD12 ILE A 35 20.853 2.259 -2.405 1.00 1.05 H new ATOM 0 HD13 ILE A 35 21.408 0.854 -3.346 1.00 1.05 H new ATOM 529 N ASN A 36 20.226 1.282 0.416 1.00 0.59 N ATOM 530 CA ASN A 36 21.317 0.824 1.254 1.00 0.63 C ATOM 531 C ASN A 36 20.794 -0.266 2.159 1.00 0.59 C ATOM 532 O ASN A 36 21.255 -1.405 2.104 1.00 0.59 O ATOM 533 CB ASN A 36 21.915 1.979 2.055 1.00 0.70 C ATOM 534 CG ASN A 36 22.650 2.973 1.177 1.00 1.33 C ATOM 535 OD1 ASN A 36 22.066 3.946 0.697 1.00 2.15 O ATOM 536 ND2 ASN A 36 23.938 2.733 0.960 1.00 1.89 N ATOM 0 H ASN A 36 19.769 2.134 0.739 1.00 0.59 H new ATOM 0 HA ASN A 36 22.120 0.426 0.634 1.00 0.63 H new ATOM 0 HB2 ASN A 36 21.120 2.494 2.594 1.00 0.70 H new ATOM 0 HB3 ASN A 36 22.602 1.582 2.803 1.00 0.70 H new ATOM 0 HD21 ASN A 36 24.484 3.367 0.376 1.00 1.89 H new ATOM 0 HD22 ASN A 36 24.382 1.915 1.377 1.00 1.89 H new ATOM 543 N GLU A 37 19.829 0.076 3.000 1.00 0.57 N ATOM 544 CA GLU A 37 19.229 -0.932 3.853 1.00 0.56 C ATOM 545 C GLU A 37 18.246 -1.743 3.041 1.00 0.50 C ATOM 546 O GLU A 37 17.929 -2.869 3.407 1.00 0.52 O ATOM 547 CB GLU A 37 18.545 -0.343 5.072 1.00 0.66 C ATOM 548 CG GLU A 37 19.270 0.857 5.626 1.00 0.75 C ATOM 549 CD GLU A 37 19.036 1.058 7.110 1.00 0.76 C ATOM 550 OE1 GLU A 37 19.482 0.202 7.903 1.00 1.29 O ATOM 551 OE2 GLU A 37 18.412 2.075 7.481 1.00 1.40 O ATOM 0 H GLU A 37 19.454 1.019 3.108 1.00 0.57 H new ATOM 0 HA GLU A 37 20.030 -1.569 4.228 1.00 0.56 H new ATOM 0 HB2 GLU A 37 17.527 -0.057 4.809 1.00 0.66 H new ATOM 0 HB3 GLU A 37 18.472 -1.107 5.846 1.00 0.66 H new ATOM 0 HG2 GLU A 37 20.339 0.744 5.444 1.00 0.75 H new ATOM 0 HG3 GLU A 37 18.948 1.749 5.089 1.00 0.75 H new ATOM 558 N PHE A 38 17.742 -1.174 1.928 1.00 0.46 N ATOM 559 CA PHE A 38 16.851 -1.914 1.058 1.00 0.42 C ATOM 560 C PHE A 38 17.513 -3.249 0.747 1.00 0.45 C ATOM 561 O PHE A 38 16.848 -4.262 0.582 1.00 0.45 O ATOM 562 CB PHE A 38 16.588 -1.127 -0.232 1.00 0.43 C ATOM 563 CG PHE A 38 15.423 -1.620 -1.029 1.00 0.41 C ATOM 564 CD1 PHE A 38 15.397 -2.907 -1.522 1.00 1.30 C ATOM 565 CD2 PHE A 38 14.342 -0.789 -1.278 1.00 1.21 C ATOM 566 CE1 PHE A 38 14.317 -3.362 -2.245 1.00 1.32 C ATOM 567 CE2 PHE A 38 13.259 -1.235 -2.004 1.00 1.21 C ATOM 568 CZ PHE A 38 13.244 -2.525 -2.487 1.00 0.45 C ATOM 0 H PHE A 38 17.941 -0.220 1.627 1.00 0.46 H new ATOM 0 HA PHE A 38 15.889 -2.075 1.545 1.00 0.42 H new ATOM 0 HB2 PHE A 38 16.422 -0.080 0.023 1.00 0.43 H new ATOM 0 HB3 PHE A 38 17.481 -1.165 -0.855 1.00 0.43 H new ATOM 0 HD1 PHE A 38 16.233 -3.566 -1.339 1.00 1.30 H new ATOM 0 HD2 PHE A 38 14.349 0.222 -0.898 1.00 1.21 H new ATOM 0 HE1 PHE A 38 14.308 -4.374 -2.623 1.00 1.32 H new ATOM 0 HE2 PHE A 38 12.425 -0.576 -2.194 1.00 1.21 H new ATOM 0 HZ PHE A 38 12.396 -2.881 -3.053 1.00 0.45 H new ATOM 578 N LYS A 39 18.853 -3.231 0.748 1.00 0.49 N ATOM 579 CA LYS A 39 19.644 -4.427 0.488 1.00 0.53 C ATOM 580 C LYS A 39 19.399 -5.492 1.533 1.00 0.53 C ATOM 581 O LYS A 39 19.792 -6.647 1.385 1.00 0.56 O ATOM 582 CB LYS A 39 21.122 -4.074 0.404 1.00 0.61 C ATOM 583 CG LYS A 39 21.361 -2.857 -0.450 1.00 0.67 C ATOM 584 CD LYS A 39 22.191 -3.181 -1.684 1.00 0.71 C ATOM 585 CE LYS A 39 23.566 -3.721 -1.315 1.00 1.47 C ATOM 586 NZ LYS A 39 24.369 -2.730 -0.547 1.00 1.80 N ATOM 0 H LYS A 39 19.408 -2.394 0.928 1.00 0.49 H new ATOM 0 HA LYS A 39 19.330 -4.837 -0.472 1.00 0.53 H new ATOM 0 HB2 LYS A 39 21.510 -3.896 1.407 1.00 0.61 H new ATOM 0 HB3 LYS A 39 21.674 -4.919 -0.006 1.00 0.61 H new ATOM 0 HG2 LYS A 39 20.404 -2.436 -0.757 1.00 0.67 H new ATOM 0 HG3 LYS A 39 21.870 -2.095 0.140 1.00 0.67 H new ATOM 0 HD2 LYS A 39 21.664 -3.915 -2.294 1.00 0.71 H new ATOM 0 HD3 LYS A 39 22.304 -2.283 -2.292 1.00 0.71 H new ATOM 0 HE2 LYS A 39 23.452 -4.630 -0.724 1.00 1.47 H new ATOM 0 HE3 LYS A 39 24.103 -3.996 -2.223 1.00 1.47 H new ATOM 0 HZ1 LYS A 39 25.345 -3.076 -0.449 1.00 1.80 H new ATOM 0 HZ2 LYS A 39 24.373 -1.821 -1.052 1.00 1.80 H new ATOM 0 HZ3 LYS A 39 23.951 -2.601 0.396 1.00 1.80 H new ATOM 600 N GLU A 40 18.805 -5.071 2.612 1.00 0.52 N ATOM 601 CA GLU A 40 18.421 -5.977 3.670 1.00 0.56 C ATOM 602 C GLU A 40 17.081 -6.638 3.295 1.00 0.54 C ATOM 603 O GLU A 40 16.597 -7.527 3.997 1.00 0.60 O ATOM 604 CB GLU A 40 18.326 -5.225 5.016 1.00 0.60 C ATOM 605 CG GLU A 40 16.992 -4.533 5.277 1.00 1.09 C ATOM 606 CD GLU A 40 16.327 -5.015 6.552 1.00 1.91 C ATOM 607 OE1 GLU A 40 16.585 -4.418 7.619 1.00 2.43 O ATOM 608 OE2 GLU A 40 15.548 -5.989 6.482 1.00 2.62 O ATOM 0 H GLU A 40 18.571 -4.094 2.789 1.00 0.52 H new ATOM 0 HA GLU A 40 19.176 -6.754 3.788 1.00 0.56 H new ATOM 0 HB2 GLU A 40 18.515 -5.932 5.824 1.00 0.60 H new ATOM 0 HB3 GLU A 40 19.119 -4.478 5.054 1.00 0.60 H new ATOM 0 HG2 GLU A 40 17.151 -3.456 5.339 1.00 1.09 H new ATOM 0 HG3 GLU A 40 16.324 -4.709 4.434 1.00 1.09 H new ATOM 615 N LEU A 41 16.489 -6.184 2.170 1.00 0.49 N ATOM 616 CA LEU A 41 15.204 -6.694 1.703 1.00 0.50 C ATOM 617 C LEU A 41 15.325 -8.025 0.993 1.00 0.55 C ATOM 618 O LEU A 41 15.389 -9.035 1.659 1.00 0.62 O ATOM 619 CB LEU A 41 14.505 -5.674 0.797 1.00 0.46 C ATOM 620 CG LEU A 41 14.123 -4.358 1.476 1.00 0.44 C ATOM 621 CD1 LEU A 41 13.142 -3.581 0.614 1.00 0.55 C ATOM 622 CD2 LEU A 41 13.534 -4.624 2.854 1.00 0.66 C ATOM 0 H LEU A 41 16.891 -5.461 1.573 1.00 0.49 H new ATOM 0 HA LEU A 41 14.597 -6.857 2.594 1.00 0.50 H new ATOM 0 HB2 LEU A 41 15.158 -5.453 -0.047 1.00 0.46 H new ATOM 0 HB3 LEU A 41 13.603 -6.131 0.391 1.00 0.46 H new ATOM 0 HG LEU A 41 15.023 -3.755 1.598 1.00 0.44 H new ATOM 0 HD11 LEU A 41 12.881 -2.647 1.112 1.00 0.55 H new ATOM 0 HD12 LEU A 41 13.600 -3.362 -0.351 1.00 0.55 H new ATOM 0 HD13 LEU A 41 12.241 -4.176 0.462 1.00 0.55 H new ATOM 0 HD21 LEU A 41 13.267 -3.678 3.324 1.00 0.66 H new ATOM 0 HD22 LEU A 41 12.643 -5.244 2.755 1.00 0.66 H new ATOM 0 HD23 LEU A 41 14.269 -5.141 3.470 1.00 0.66 H new ATOM 634 N ALA A 42 15.396 -8.027 -0.351 1.00 0.55 N ATOM 635 CA ALA A 42 15.455 -9.267 -1.121 1.00 0.61 C ATOM 636 C ALA A 42 16.245 -10.352 -0.407 1.00 0.67 C ATOM 637 O ALA A 42 15.902 -11.523 -0.470 1.00 0.74 O ATOM 638 CB ALA A 42 16.052 -8.997 -2.465 1.00 0.65 C ATOM 0 H ALA A 42 15.413 -7.180 -0.919 1.00 0.55 H new ATOM 0 HA ALA A 42 14.435 -9.634 -1.235 1.00 0.61 H new ATOM 0 HB1 ALA A 42 16.095 -9.924 -3.037 1.00 0.65 H new ATOM 0 HB2 ALA A 42 15.438 -8.270 -2.997 1.00 0.65 H new ATOM 0 HB3 ALA A 42 17.060 -8.600 -2.342 1.00 0.65 H new ATOM 644 N THR A 43 17.273 -9.939 0.307 1.00 0.66 N ATOM 645 CA THR A 43 18.093 -10.847 1.064 1.00 0.73 C ATOM 646 C THR A 43 17.259 -11.570 2.132 1.00 0.78 C ATOM 647 O THR A 43 17.025 -12.774 2.043 1.00 0.86 O ATOM 648 CB THR A 43 19.231 -10.055 1.723 1.00 0.72 C ATOM 649 OG1 THR A 43 18.764 -8.742 2.098 1.00 0.66 O ATOM 650 CG2 THR A 43 20.419 -9.930 0.782 1.00 0.75 C ATOM 0 H THR A 43 17.559 -8.962 0.375 1.00 0.66 H new ATOM 0 HA THR A 43 18.508 -11.602 0.396 1.00 0.73 H new ATOM 0 HB THR A 43 19.552 -10.594 2.615 1.00 0.72 H new ATOM 0 HG1 THR A 43 19.408 -8.067 1.798 1.00 0.66 H new ATOM 0 HG21 THR A 43 21.213 -9.365 1.271 1.00 0.75 H new ATOM 0 HG22 THR A 43 20.786 -10.924 0.526 1.00 0.75 H new ATOM 0 HG23 THR A 43 20.111 -9.412 -0.126 1.00 0.75 H new ATOM 658 N GLN A 44 16.825 -10.819 3.143 1.00 0.77 N ATOM 659 CA GLN A 44 15.995 -11.341 4.221 1.00 0.85 C ATOM 660 C GLN A 44 14.570 -11.574 3.738 1.00 0.85 C ATOM 661 O GLN A 44 13.801 -12.325 4.340 1.00 0.94 O ATOM 662 CB GLN A 44 16.010 -10.348 5.385 1.00 0.88 C ATOM 663 CG GLN A 44 17.414 -9.952 5.813 1.00 1.54 C ATOM 664 CD GLN A 44 18.244 -11.138 6.259 1.00 2.05 C ATOM 665 OE1 GLN A 44 18.919 -11.777 5.452 1.00 2.54 O ATOM 666 NE2 GLN A 44 18.200 -11.436 7.551 1.00 2.75 N ATOM 0 H GLN A 44 17.042 -9.827 3.235 1.00 0.77 H new ATOM 0 HA GLN A 44 16.395 -12.299 4.553 1.00 0.85 H new ATOM 0 HB2 GLN A 44 15.458 -9.453 5.098 1.00 0.88 H new ATOM 0 HB3 GLN A 44 15.487 -10.786 6.235 1.00 0.88 H new ATOM 0 HG2 GLN A 44 17.916 -9.454 4.983 1.00 1.54 H new ATOM 0 HG3 GLN A 44 17.351 -9.230 6.627 1.00 1.54 H new ATOM 0 HE21 GLN A 44 17.626 -10.878 8.184 1.00 2.75 H new ATOM 0 HE22 GLN A 44 18.740 -12.223 7.912 1.00 2.75 H new ATOM 675 N GLN A 45 14.230 -10.891 2.663 1.00 0.78 N ATOM 676 CA GLN A 45 12.947 -11.001 2.021 1.00 0.83 C ATOM 677 C GLN A 45 12.859 -12.306 1.273 1.00 0.79 C ATOM 678 O GLN A 45 11.847 -12.991 1.335 1.00 0.80 O ATOM 679 CB GLN A 45 12.792 -9.864 1.028 1.00 0.93 C ATOM 680 CG GLN A 45 12.490 -8.540 1.670 1.00 0.97 C ATOM 681 CD GLN A 45 11.011 -8.290 1.700 1.00 1.36 C ATOM 682 OE1 GLN A 45 10.516 -7.660 0.639 1.00 2.34 O flip ATOM 683 NE2 GLN A 45 10.323 -8.663 2.649 1.00 1.43 N flip ATOM 0 H GLN A 45 14.857 -10.230 2.205 1.00 0.78 H new ATOM 0 HA GLN A 45 12.163 -10.958 2.777 1.00 0.83 H new ATOM 0 HB2 GLN A 45 13.709 -9.775 0.445 1.00 0.93 H new ATOM 0 HB3 GLN A 45 11.993 -10.110 0.329 1.00 0.93 H new ATOM 0 HG2 GLN A 45 12.887 -8.523 2.685 1.00 0.97 H new ATOM 0 HG3 GLN A 45 12.988 -7.741 1.120 1.00 0.97 H new ATOM 0 HE21 GLN A 45 10.758 -9.142 3.437 1.00 1.43 H new ATOM 0 HE22 GLN A 45 9.317 -8.493 2.648 1.00 1.43 H new ATOM 692 N LEU A 46 13.971 -12.679 0.622 1.00 0.78 N ATOM 693 CA LEU A 46 14.037 -13.899 -0.185 1.00 0.78 C ATOM 694 C LEU A 46 13.182 -14.978 0.450 1.00 0.74 C ATOM 695 O LEU A 46 12.261 -15.493 -0.182 1.00 0.75 O ATOM 696 CB LEU A 46 15.491 -14.389 -0.323 1.00 0.83 C ATOM 697 CG LEU A 46 16.202 -14.099 -1.656 1.00 1.04 C ATOM 698 CD1 LEU A 46 17.392 -15.030 -1.823 1.00 1.25 C ATOM 699 CD2 LEU A 46 15.249 -14.248 -2.833 1.00 1.30 C ATOM 0 H LEU A 46 14.841 -12.146 0.642 1.00 0.78 H new ATOM 0 HA LEU A 46 13.658 -13.676 -1.182 1.00 0.78 H new ATOM 0 HB2 LEU A 46 16.077 -13.940 0.478 1.00 0.83 H new ATOM 0 HB3 LEU A 46 15.502 -15.467 -0.161 1.00 0.83 H new ATOM 0 HG LEU A 46 16.553 -13.067 -1.637 1.00 1.04 H new ATOM 0 HD11 LEU A 46 17.890 -14.818 -2.769 1.00 1.25 H new ATOM 0 HD12 LEU A 46 18.092 -14.876 -1.002 1.00 1.25 H new ATOM 0 HD13 LEU A 46 17.048 -16.064 -1.818 1.00 1.25 H new ATOM 0 HD21 LEU A 46 15.781 -14.037 -3.761 1.00 1.30 H new ATOM 0 HD22 LEU A 46 14.861 -15.266 -2.861 1.00 1.30 H new ATOM 0 HD23 LEU A 46 14.421 -13.548 -2.722 1.00 1.30 H new ATOM 711 N PRO A 47 13.463 -15.342 1.705 1.00 0.78 N ATOM 712 CA PRO A 47 12.630 -16.308 2.379 1.00 0.80 C ATOM 713 C PRO A 47 11.478 -15.657 3.153 1.00 0.77 C ATOM 714 O PRO A 47 11.625 -15.327 4.330 1.00 0.81 O ATOM 715 CB PRO A 47 13.625 -16.902 3.373 1.00 0.90 C ATOM 716 CG PRO A 47 14.540 -15.768 3.726 1.00 0.95 C ATOM 717 CD PRO A 47 14.529 -14.816 2.553 1.00 0.90 C ATOM 0 HA PRO A 47 12.155 -17.010 1.694 1.00 0.80 H new ATOM 0 HB2 PRO A 47 13.117 -17.290 4.256 1.00 0.90 H new ATOM 0 HB3 PRO A 47 14.177 -17.732 2.932 1.00 0.90 H new ATOM 0 HG2 PRO A 47 14.202 -15.267 4.633 1.00 0.95 H new ATOM 0 HG3 PRO A 47 15.549 -16.132 3.919 1.00 0.95 H new ATOM 0 HD2 PRO A 47 14.325 -13.792 2.867 1.00 0.90 H new ATOM 0 HD3 PRO A 47 15.488 -14.805 2.034 1.00 0.90 H new ATOM 725 N HIS A 48 10.344 -15.469 2.494 1.00 0.73 N ATOM 726 CA HIS A 48 9.121 -15.010 3.164 1.00 0.74 C ATOM 727 C HIS A 48 8.244 -16.222 3.401 1.00 0.83 C ATOM 728 O HIS A 48 8.743 -17.343 3.510 1.00 0.91 O ATOM 729 CB HIS A 48 8.385 -13.896 2.389 1.00 0.73 C ATOM 730 CG HIS A 48 8.127 -12.698 3.244 1.00 0.98 C ATOM 731 ND1 HIS A 48 7.036 -12.596 4.078 1.00 1.87 N ATOM 732 CD2 HIS A 48 8.845 -11.564 3.425 1.00 1.34 C ATOM 733 CE1 HIS A 48 7.092 -11.453 4.736 1.00 2.04 C ATOM 734 NE2 HIS A 48 8.180 -10.808 4.357 1.00 1.61 N ATOM 0 H HIS A 48 10.238 -15.626 1.492 1.00 0.73 H new ATOM 0 HA HIS A 48 9.385 -14.546 4.114 1.00 0.74 H new ATOM 0 HB2 HIS A 48 8.979 -13.603 1.523 1.00 0.73 H new ATOM 0 HB3 HIS A 48 7.439 -14.282 2.010 1.00 0.73 H new ATOM 0 HD2 HIS A 48 9.768 -11.304 2.929 1.00 1.34 H new ATOM 0 HE1 HIS A 48 6.371 -11.105 5.461 1.00 2.04 H new ATOM 0 HE2 HIS A 48 8.478 -9.895 4.701 1.00 1.61 H new ATOM 743 N LEU A 49 6.941 -16.012 3.484 1.00 0.88 N ATOM 744 CA LEU A 49 6.027 -17.127 3.580 1.00 1.00 C ATOM 745 C LEU A 49 5.833 -17.651 2.155 1.00 0.98 C ATOM 746 O LEU A 49 6.548 -18.552 1.715 1.00 1.02 O ATOM 747 CB LEU A 49 4.699 -16.707 4.214 1.00 1.10 C ATOM 748 CG LEU A 49 3.606 -17.775 4.192 1.00 1.62 C ATOM 749 CD1 LEU A 49 4.110 -19.066 4.818 1.00 2.02 C ATOM 750 CD2 LEU A 49 2.364 -17.278 4.916 1.00 2.44 C ATOM 0 H LEU A 49 6.501 -15.092 3.487 1.00 0.88 H new ATOM 0 HA LEU A 49 6.428 -17.907 4.227 1.00 1.00 H new ATOM 0 HB2 LEU A 49 4.883 -16.418 5.249 1.00 1.10 H new ATOM 0 HB3 LEU A 49 4.331 -15.821 3.697 1.00 1.10 H new ATOM 0 HG LEU A 49 3.341 -17.978 3.154 1.00 1.62 H new ATOM 0 HD11 LEU A 49 3.319 -19.815 4.794 1.00 2.02 H new ATOM 0 HD12 LEU A 49 4.971 -19.430 4.258 1.00 2.02 H new ATOM 0 HD13 LEU A 49 4.402 -18.880 5.852 1.00 2.02 H new ATOM 0 HD21 LEU A 49 1.595 -18.050 4.891 1.00 2.44 H new ATOM 0 HD22 LEU A 49 2.614 -17.048 5.952 1.00 2.44 H new ATOM 0 HD23 LEU A 49 1.992 -16.379 4.424 1.00 2.44 H new ATOM 762 N LEU A 50 4.861 -17.083 1.435 1.00 0.98 N ATOM 763 CA LEU A 50 4.620 -17.440 0.035 1.00 1.01 C ATOM 764 C LEU A 50 5.495 -16.596 -0.910 1.00 0.92 C ATOM 765 O LEU A 50 5.152 -16.414 -2.078 1.00 1.01 O ATOM 766 CB LEU A 50 3.143 -17.252 -0.318 1.00 1.11 C ATOM 767 CG LEU A 50 2.716 -17.845 -1.663 1.00 1.60 C ATOM 768 CD1 LEU A 50 3.101 -19.314 -1.744 1.00 1.97 C ATOM 769 CD2 LEU A 50 1.218 -17.674 -1.866 1.00 2.25 C ATOM 0 H LEU A 50 4.227 -16.372 1.800 1.00 0.98 H new ATOM 0 HA LEU A 50 4.887 -18.489 -0.093 1.00 1.01 H new ATOM 0 HB2 LEU A 50 2.537 -17.702 0.469 1.00 1.11 H new ATOM 0 HB3 LEU A 50 2.919 -16.185 -0.321 1.00 1.11 H new ATOM 0 HG LEU A 50 3.236 -17.310 -2.458 1.00 1.60 H new ATOM 0 HD11 LEU A 50 2.790 -19.719 -2.707 1.00 1.97 H new ATOM 0 HD12 LEU A 50 4.182 -19.413 -1.641 1.00 1.97 H new ATOM 0 HD13 LEU A 50 2.608 -19.864 -0.942 1.00 1.97 H new ATOM 0 HD21 LEU A 50 0.930 -18.101 -2.827 1.00 2.25 H new ATOM 0 HD22 LEU A 50 0.682 -18.185 -1.067 1.00 2.25 H new ATOM 0 HD23 LEU A 50 0.967 -16.613 -1.850 1.00 2.25 H new ATOM 781 N LYS A 51 6.623 -16.084 -0.408 1.00 0.85 N ATOM 782 CA LYS A 51 7.520 -15.233 -1.190 1.00 0.81 C ATOM 783 C LYS A 51 7.668 -15.701 -2.625 1.00 0.88 C ATOM 784 O LYS A 51 7.369 -16.844 -2.970 1.00 1.03 O ATOM 785 CB LYS A 51 8.908 -15.199 -0.550 1.00 0.97 C ATOM 786 CG LYS A 51 9.754 -13.983 -0.931 1.00 1.23 C ATOM 787 CD LYS A 51 9.042 -12.668 -0.656 1.00 2.11 C ATOM 788 CE LYS A 51 9.929 -11.700 0.115 1.00 2.68 C ATOM 789 NZ LYS A 51 9.393 -10.318 0.105 1.00 3.58 N ATOM 0 H LYS A 51 6.938 -16.248 0.548 1.00 0.85 H new ATOM 0 HA LYS A 51 7.071 -14.240 -1.198 1.00 0.81 H new ATOM 0 HB2 LYS A 51 8.795 -15.221 0.534 1.00 0.97 H new ATOM 0 HB3 LYS A 51 9.447 -16.103 -0.833 1.00 0.97 H new ATOM 0 HG2 LYS A 51 10.691 -14.008 -0.375 1.00 1.23 H new ATOM 0 HG3 LYS A 51 10.010 -14.040 -1.989 1.00 1.23 H new ATOM 0 HD2 LYS A 51 8.740 -12.213 -1.599 1.00 2.11 H new ATOM 0 HD3 LYS A 51 8.131 -12.859 -0.088 1.00 2.11 H new ATOM 0 HE2 LYS A 51 10.027 -12.042 1.145 1.00 2.68 H new ATOM 0 HE3 LYS A 51 10.929 -11.703 -0.318 1.00 2.68 H new ATOM 0 HZ1 LYS A 51 10.112 -9.670 -0.275 1.00 3.58 H new ATOM 0 HZ2 LYS A 51 8.542 -10.280 -0.492 1.00 3.58 H new ATOM 0 HZ3 LYS A 51 9.148 -10.034 1.075 1.00 3.58 H new ATOM 803 N ASP A 52 8.139 -14.782 -3.444 1.00 0.92 N ATOM 804 CA ASP A 52 8.382 -15.042 -4.851 1.00 1.17 C ATOM 805 C ASP A 52 9.883 -15.155 -5.103 1.00 1.23 C ATOM 806 O ASP A 52 10.344 -15.032 -6.238 1.00 1.47 O ATOM 807 CB ASP A 52 7.790 -13.922 -5.704 1.00 1.29 C ATOM 808 CG ASP A 52 6.275 -13.971 -5.754 1.00 1.87 C ATOM 809 OD1 ASP A 52 5.633 -13.517 -4.785 1.00 2.35 O ATOM 810 OD2 ASP A 52 5.731 -14.461 -6.766 1.00 2.61 O ATOM 0 H ASP A 52 8.365 -13.831 -3.153 1.00 0.92 H new ATOM 0 HA ASP A 52 7.902 -15.981 -5.126 1.00 1.17 H new ATOM 0 HB2 ASP A 52 8.106 -12.959 -5.304 1.00 1.29 H new ATOM 0 HB3 ASP A 52 8.187 -13.992 -6.717 1.00 1.29 H new ATOM 815 N VAL A 53 10.641 -15.402 -4.033 1.00 1.13 N ATOM 816 CA VAL A 53 12.083 -15.522 -4.127 1.00 1.26 C ATOM 817 C VAL A 53 12.685 -14.371 -4.925 1.00 1.24 C ATOM 818 O VAL A 53 13.031 -14.529 -6.095 1.00 1.48 O ATOM 819 CB VAL A 53 12.464 -16.866 -4.768 1.00 1.57 C ATOM 820 CG1 VAL A 53 13.967 -16.974 -4.994 1.00 2.17 C ATOM 821 CG2 VAL A 53 11.967 -18.019 -3.909 1.00 1.91 C ATOM 0 H VAL A 53 10.271 -15.522 -3.090 1.00 1.13 H new ATOM 0 HA VAL A 53 12.489 -15.480 -3.116 1.00 1.26 H new ATOM 0 HB VAL A 53 11.982 -16.919 -5.744 1.00 1.57 H new ATOM 0 HG11 VAL A 53 14.198 -17.937 -5.448 1.00 2.17 H new ATOM 0 HG12 VAL A 53 14.294 -16.172 -5.656 1.00 2.17 H new ATOM 0 HG13 VAL A 53 14.486 -16.890 -4.039 1.00 2.17 H new ATOM 0 HG21 VAL A 53 12.244 -18.965 -4.374 1.00 1.91 H new ATOM 0 HG22 VAL A 53 12.419 -17.956 -2.919 1.00 1.91 H new ATOM 0 HG23 VAL A 53 10.882 -17.963 -3.817 1.00 1.91 H new ATOM 831 N GLY A 54 12.779 -13.198 -4.290 1.00 1.06 N ATOM 832 CA GLY A 54 13.361 -12.033 -4.949 1.00 1.11 C ATOM 833 C GLY A 54 14.578 -12.386 -5.792 1.00 1.14 C ATOM 834 O GLY A 54 15.648 -12.683 -5.261 1.00 1.24 O ATOM 0 H GLY A 54 12.463 -13.035 -3.334 1.00 1.06 H new ATOM 0 HA2 GLY A 54 12.608 -11.564 -5.583 1.00 1.11 H new ATOM 0 HA3 GLY A 54 13.646 -11.298 -4.196 1.00 1.11 H new ATOM 838 N SER A 55 14.406 -12.349 -7.111 1.00 1.18 N ATOM 839 CA SER A 55 15.478 -12.689 -8.041 1.00 1.25 C ATOM 840 C SER A 55 16.768 -11.958 -7.679 1.00 1.11 C ATOM 841 O SER A 55 16.790 -10.736 -7.569 1.00 1.10 O ATOM 842 CB SER A 55 15.058 -12.345 -9.469 1.00 1.41 C ATOM 843 OG SER A 55 15.948 -12.910 -10.416 1.00 1.61 O ATOM 0 H SER A 55 13.529 -12.085 -7.561 1.00 1.18 H new ATOM 0 HA SER A 55 15.666 -13.760 -7.972 1.00 1.25 H new ATOM 0 HB2 SER A 55 14.048 -12.711 -9.652 1.00 1.41 H new ATOM 0 HB3 SER A 55 15.031 -11.262 -9.592 1.00 1.41 H new ATOM 0 HG SER A 55 15.655 -12.676 -11.321 1.00 1.61 H new ATOM 849 N LEU A 56 17.842 -12.726 -7.514 1.00 1.15 N ATOM 850 CA LEU A 56 19.145 -12.178 -7.140 1.00 1.10 C ATOM 851 C LEU A 56 19.462 -10.865 -7.863 1.00 0.98 C ATOM 852 O LEU A 56 19.345 -9.786 -7.283 1.00 0.97 O ATOM 853 CB LEU A 56 20.251 -13.203 -7.404 1.00 1.28 C ATOM 854 CG LEU A 56 20.052 -14.084 -8.641 1.00 2.03 C ATOM 855 CD1 LEU A 56 21.336 -14.161 -9.452 1.00 2.61 C ATOM 856 CD2 LEU A 56 19.598 -15.478 -8.232 1.00 2.83 C ATOM 0 H LEU A 56 17.835 -13.739 -7.635 1.00 1.15 H new ATOM 0 HA LEU A 56 19.100 -11.956 -6.074 1.00 1.10 H new ATOM 0 HB2 LEU A 56 21.197 -12.672 -7.506 1.00 1.28 H new ATOM 0 HB3 LEU A 56 20.340 -13.849 -6.530 1.00 1.28 H new ATOM 0 HG LEU A 56 19.277 -13.636 -9.263 1.00 2.03 H new ATOM 0 HD11 LEU A 56 21.176 -14.791 -10.327 1.00 2.61 H new ATOM 0 HD12 LEU A 56 21.624 -13.160 -9.773 1.00 2.61 H new ATOM 0 HD13 LEU A 56 22.129 -14.587 -8.838 1.00 2.61 H new ATOM 0 HD21 LEU A 56 19.461 -16.092 -9.122 1.00 2.83 H new ATOM 0 HD22 LEU A 56 20.353 -15.933 -7.590 1.00 2.83 H new ATOM 0 HD23 LEU A 56 18.655 -15.409 -7.690 1.00 2.83 H new ATOM 868 N ASP A 57 19.867 -10.960 -9.127 1.00 1.00 N ATOM 869 CA ASP A 57 20.218 -9.779 -9.919 1.00 1.01 C ATOM 870 C ASP A 57 19.207 -8.662 -9.749 1.00 0.95 C ATOM 871 O ASP A 57 19.570 -7.493 -9.633 1.00 0.96 O ATOM 872 CB ASP A 57 20.310 -10.116 -11.400 1.00 1.15 C ATOM 873 CG ASP A 57 19.327 -11.192 -11.823 1.00 1.69 C ATOM 874 OD1 ASP A 57 19.677 -12.387 -11.726 1.00 2.20 O ATOM 875 OD2 ASP A 57 18.208 -10.838 -12.252 1.00 2.48 O ATOM 0 H ASP A 57 19.961 -11.844 -9.628 1.00 1.00 H new ATOM 0 HA ASP A 57 21.188 -9.445 -9.551 1.00 1.01 H new ATOM 0 HB2 ASP A 57 20.128 -9.214 -11.985 1.00 1.15 H new ATOM 0 HB3 ASP A 57 21.323 -10.446 -11.630 1.00 1.15 H new ATOM 880 N GLU A 58 17.933 -9.028 -9.751 1.00 0.94 N ATOM 881 CA GLU A 58 16.863 -8.056 -9.603 1.00 0.95 C ATOM 882 C GLU A 58 17.140 -7.194 -8.392 1.00 0.87 C ATOM 883 O GLU A 58 16.811 -6.008 -8.360 1.00 0.90 O ATOM 884 CB GLU A 58 15.513 -8.758 -9.454 1.00 0.98 C ATOM 885 CG GLU A 58 14.327 -7.815 -9.532 1.00 1.43 C ATOM 886 CD GLU A 58 13.003 -8.536 -9.370 1.00 1.80 C ATOM 887 OE1 GLU A 58 12.444 -8.988 -10.390 1.00 2.29 O ATOM 888 OE2 GLU A 58 12.526 -8.649 -8.220 1.00 2.42 O ATOM 0 H GLU A 58 17.617 -9.992 -9.854 1.00 0.94 H new ATOM 0 HA GLU A 58 16.822 -7.431 -10.495 1.00 0.95 H new ATOM 0 HB2 GLU A 58 15.418 -9.514 -10.234 1.00 0.98 H new ATOM 0 HB3 GLU A 58 15.488 -9.281 -8.498 1.00 0.98 H new ATOM 0 HG2 GLU A 58 14.420 -7.054 -8.757 1.00 1.43 H new ATOM 0 HG3 GLU A 58 14.341 -7.297 -10.491 1.00 1.43 H new ATOM 895 N LYS A 59 17.775 -7.807 -7.402 1.00 0.81 N ATOM 896 CA LYS A 59 18.127 -7.109 -6.190 1.00 0.76 C ATOM 897 C LYS A 59 19.141 -6.024 -6.496 1.00 0.80 C ATOM 898 O LYS A 59 19.142 -4.967 -5.872 1.00 0.79 O ATOM 899 CB LYS A 59 18.683 -8.078 -5.146 1.00 0.75 C ATOM 900 CG LYS A 59 17.801 -9.294 -4.918 1.00 0.75 C ATOM 901 CD LYS A 59 18.398 -10.235 -3.880 1.00 1.14 C ATOM 902 CE LYS A 59 19.850 -10.565 -4.184 1.00 1.95 C ATOM 903 NZ LYS A 59 20.218 -11.928 -3.710 1.00 2.67 N ATOM 0 H LYS A 59 18.054 -8.788 -7.422 1.00 0.81 H new ATOM 0 HA LYS A 59 17.227 -6.650 -5.780 1.00 0.76 H new ATOM 0 HB2 LYS A 59 19.672 -8.410 -5.461 1.00 0.75 H new ATOM 0 HB3 LYS A 59 18.810 -7.549 -4.202 1.00 0.75 H new ATOM 0 HG2 LYS A 59 16.813 -8.971 -4.591 1.00 0.75 H new ATOM 0 HG3 LYS A 59 17.667 -9.828 -5.859 1.00 0.75 H new ATOM 0 HD2 LYS A 59 18.328 -9.778 -2.893 1.00 1.14 H new ATOM 0 HD3 LYS A 59 17.816 -11.156 -3.847 1.00 1.14 H new ATOM 0 HE2 LYS A 59 20.021 -10.495 -5.258 1.00 1.95 H new ATOM 0 HE3 LYS A 59 20.497 -9.828 -3.709 1.00 1.95 H new ATOM 0 HZ1 LYS A 59 21.013 -11.861 -3.043 1.00 2.67 H new ATOM 0 HZ2 LYS A 59 19.402 -12.362 -3.234 1.00 2.67 H new ATOM 0 HZ3 LYS A 59 20.497 -12.514 -4.522 1.00 2.67 H new ATOM 917 N MET A 60 20.011 -6.302 -7.460 1.00 0.86 N ATOM 918 CA MET A 60 21.025 -5.352 -7.870 1.00 0.92 C ATOM 919 C MET A 60 20.444 -4.331 -8.841 1.00 0.96 C ATOM 920 O MET A 60 20.882 -3.182 -8.898 1.00 1.01 O ATOM 921 CB MET A 60 22.209 -6.075 -8.515 1.00 1.00 C ATOM 922 CG MET A 60 22.917 -7.040 -7.579 1.00 1.00 C ATOM 923 SD MET A 60 23.631 -6.217 -6.142 1.00 1.73 S ATOM 924 CE MET A 60 24.395 -7.603 -5.304 1.00 2.31 C ATOM 0 H MET A 60 20.030 -7.184 -7.972 1.00 0.86 H new ATOM 0 HA MET A 60 21.377 -4.827 -6.982 1.00 0.92 H new ATOM 0 HB2 MET A 60 21.857 -6.623 -9.389 1.00 1.00 H new ATOM 0 HB3 MET A 60 22.926 -5.335 -8.870 1.00 1.00 H new ATOM 0 HG2 MET A 60 22.210 -7.799 -7.244 1.00 1.00 H new ATOM 0 HG3 MET A 60 23.706 -7.557 -8.125 1.00 1.00 H new ATOM 0 HE1 MET A 60 24.880 -7.254 -4.392 1.00 2.31 H new ATOM 0 HE2 MET A 60 23.633 -8.340 -5.050 1.00 2.31 H new ATOM 0 HE3 MET A 60 25.138 -8.060 -5.958 1.00 2.31 H new ATOM 934 N LYS A 61 19.452 -4.773 -9.605 1.00 0.97 N ATOM 935 CA LYS A 61 18.791 -3.926 -10.591 1.00 1.02 C ATOM 936 C LYS A 61 17.760 -3.036 -9.923 1.00 0.96 C ATOM 937 O LYS A 61 17.890 -1.813 -9.923 1.00 0.92 O ATOM 938 CB LYS A 61 18.123 -4.785 -11.667 1.00 1.08 C ATOM 939 CG LYS A 61 17.240 -3.992 -12.616 1.00 1.55 C ATOM 940 CD LYS A 61 16.563 -4.896 -13.633 1.00 2.07 C ATOM 941 CE LYS A 61 17.582 -5.597 -14.518 1.00 2.59 C ATOM 942 NZ LYS A 61 16.931 -6.504 -15.503 1.00 3.16 N ATOM 0 H LYS A 61 19.085 -5.723 -9.559 1.00 0.97 H new ATOM 0 HA LYS A 61 19.545 -3.294 -11.061 1.00 1.02 H new ATOM 0 HB2 LYS A 61 18.894 -5.296 -12.243 1.00 1.08 H new ATOM 0 HB3 LYS A 61 17.523 -5.556 -11.184 1.00 1.08 H new ATOM 0 HG2 LYS A 61 16.483 -3.453 -12.046 1.00 1.55 H new ATOM 0 HG3 LYS A 61 17.841 -3.245 -13.135 1.00 1.55 H new ATOM 0 HD2 LYS A 61 15.957 -5.639 -13.115 1.00 2.07 H new ATOM 0 HD3 LYS A 61 15.886 -4.307 -14.252 1.00 2.07 H new ATOM 0 HE2 LYS A 61 18.176 -4.852 -15.048 1.00 2.59 H new ATOM 0 HE3 LYS A 61 18.270 -6.170 -13.896 1.00 2.59 H new ATOM 0 HZ1 LYS A 61 17.659 -6.963 -16.087 1.00 3.16 H new ATOM 0 HZ2 LYS A 61 16.384 -7.230 -14.998 1.00 3.16 H new ATOM 0 HZ3 LYS A 61 16.294 -5.954 -16.113 1.00 3.16 H new ATOM 956 N THR A 62 16.731 -3.657 -9.351 1.00 0.98 N ATOM 957 CA THR A 62 15.690 -2.909 -8.663 1.00 0.96 C ATOM 958 C THR A 62 16.317 -1.911 -7.698 1.00 0.86 C ATOM 959 O THR A 62 15.727 -0.887 -7.367 1.00 0.84 O ATOM 960 CB THR A 62 14.733 -3.838 -7.894 1.00 1.02 C ATOM 961 OG1 THR A 62 14.097 -4.750 -8.800 1.00 1.12 O ATOM 962 CG2 THR A 62 13.673 -3.036 -7.155 1.00 1.05 C ATOM 0 H THR A 62 16.599 -4.668 -9.352 1.00 0.98 H new ATOM 0 HA THR A 62 15.111 -2.379 -9.419 1.00 0.96 H new ATOM 0 HB THR A 62 15.319 -4.397 -7.165 1.00 1.02 H new ATOM 0 HG1 THR A 62 13.400 -5.250 -8.326 1.00 1.12 H new ATOM 0 HG21 THR A 62 13.010 -3.716 -6.620 1.00 1.05 H new ATOM 0 HG22 THR A 62 14.155 -2.364 -6.444 1.00 1.05 H new ATOM 0 HG23 THR A 62 13.094 -2.452 -7.870 1.00 1.05 H new ATOM 970 N LEU A 63 17.531 -2.231 -7.251 1.00 0.86 N ATOM 971 CA LEU A 63 18.282 -1.366 -6.355 1.00 0.84 C ATOM 972 C LEU A 63 18.230 0.080 -6.847 1.00 0.80 C ATOM 973 O LEU A 63 17.777 0.976 -6.138 1.00 0.89 O ATOM 974 CB LEU A 63 19.730 -1.861 -6.283 1.00 0.95 C ATOM 975 CG LEU A 63 20.639 -1.114 -5.314 1.00 0.92 C ATOM 976 CD1 LEU A 63 21.698 -2.049 -4.753 1.00 1.05 C ATOM 977 CD2 LEU A 63 21.293 0.073 -6.007 1.00 1.40 C ATOM 0 H LEU A 63 18.015 -3.093 -7.501 1.00 0.86 H new ATOM 0 HA LEU A 63 17.841 -1.398 -5.359 1.00 0.84 H new ATOM 0 HB2 LEU A 63 19.720 -2.915 -6.004 1.00 0.95 H new ATOM 0 HB3 LEU A 63 20.165 -1.800 -7.280 1.00 0.95 H new ATOM 0 HG LEU A 63 20.033 -0.742 -4.488 1.00 0.92 H new ATOM 0 HD11 LEU A 63 22.339 -1.500 -4.063 1.00 1.05 H new ATOM 0 HD12 LEU A 63 21.215 -2.871 -4.224 1.00 1.05 H new ATOM 0 HD13 LEU A 63 22.301 -2.447 -5.569 1.00 1.05 H new ATOM 0 HD21 LEU A 63 21.939 0.596 -5.301 1.00 1.40 H new ATOM 0 HD22 LEU A 63 21.887 -0.280 -6.850 1.00 1.40 H new ATOM 0 HD23 LEU A 63 20.522 0.754 -6.367 1.00 1.40 H new ATOM 989 N ASP A 64 18.674 0.291 -8.077 1.00 0.79 N ATOM 990 CA ASP A 64 18.668 1.620 -8.672 1.00 0.82 C ATOM 991 C ASP A 64 17.236 2.104 -8.904 1.00 0.82 C ATOM 992 O ASP A 64 16.979 3.307 -8.959 1.00 0.89 O ATOM 993 CB ASP A 64 19.437 1.602 -9.996 1.00 0.91 C ATOM 994 CG ASP A 64 19.369 2.927 -10.728 1.00 1.35 C ATOM 995 OD1 ASP A 64 18.406 3.130 -11.499 1.00 2.05 O ATOM 996 OD2 ASP A 64 20.277 3.761 -10.534 1.00 1.99 O ATOM 0 H ASP A 64 19.043 -0.441 -8.683 1.00 0.79 H new ATOM 0 HA ASP A 64 19.156 2.309 -7.983 1.00 0.82 H new ATOM 0 HB2 ASP A 64 20.480 1.351 -9.803 1.00 0.91 H new ATOM 0 HB3 ASP A 64 19.034 0.817 -10.635 1.00 0.91 H new ATOM 1001 N VAL A 65 16.309 1.157 -9.041 1.00 0.82 N ATOM 1002 CA VAL A 65 14.904 1.479 -9.281 1.00 0.87 C ATOM 1003 C VAL A 65 14.156 1.847 -7.994 1.00 0.77 C ATOM 1004 O VAL A 65 13.778 3.001 -7.795 1.00 0.82 O ATOM 1005 CB VAL A 65 14.177 0.306 -9.974 1.00 0.95 C ATOM 1006 CG1 VAL A 65 12.715 0.650 -10.225 1.00 1.06 C ATOM 1007 CG2 VAL A 65 14.873 -0.052 -11.278 1.00 1.07 C ATOM 0 H VAL A 65 16.507 0.158 -8.990 1.00 0.82 H new ATOM 0 HA VAL A 65 14.901 2.351 -9.935 1.00 0.87 H new ATOM 0 HB VAL A 65 14.214 -0.559 -9.312 1.00 0.95 H new ATOM 0 HG11 VAL A 65 12.222 -0.190 -10.714 1.00 1.06 H new ATOM 0 HG12 VAL A 65 12.222 0.857 -9.275 1.00 1.06 H new ATOM 0 HG13 VAL A 65 12.653 1.530 -10.866 1.00 1.06 H new ATOM 0 HG21 VAL A 65 14.349 -0.880 -11.755 1.00 1.07 H new ATOM 0 HG22 VAL A 65 14.867 0.812 -11.943 1.00 1.07 H new ATOM 0 HG23 VAL A 65 15.903 -0.344 -11.072 1.00 1.07 H new ATOM 1017 N ASN A 66 13.946 0.857 -7.127 1.00 0.72 N ATOM 1018 CA ASN A 66 13.216 1.061 -5.872 1.00 0.68 C ATOM 1019 C ASN A 66 14.072 1.695 -4.782 1.00 0.57 C ATOM 1020 O ASN A 66 14.042 1.244 -3.636 1.00 0.57 O ATOM 1021 CB ASN A 66 12.685 -0.272 -5.348 1.00 0.82 C ATOM 1022 CG ASN A 66 11.704 -0.925 -6.303 1.00 0.81 C ATOM 1023 OD1 ASN A 66 11.760 -0.706 -7.513 1.00 1.51 O ATOM 1024 ND2 ASN A 66 10.805 -1.739 -5.765 1.00 1.10 N ATOM 0 H ASN A 66 14.272 -0.099 -7.270 1.00 0.72 H new ATOM 0 HA ASN A 66 12.399 1.745 -6.104 1.00 0.68 H new ATOM 0 HB2 ASN A 66 13.521 -0.949 -5.173 1.00 0.82 H new ATOM 0 HB3 ASN A 66 12.198 -0.112 -4.386 1.00 0.82 H new ATOM 0 HD21 ASN A 66 10.125 -2.212 -6.360 1.00 1.10 H new ATOM 0 HD22 ASN A 66 10.794 -1.892 -4.757 1.00 1.10 H new ATOM 1031 N GLN A 67 14.825 2.734 -5.105 1.00 0.62 N ATOM 1032 CA GLN A 67 15.635 3.373 -4.083 1.00 0.68 C ATOM 1033 C GLN A 67 14.784 4.293 -3.245 1.00 0.61 C ATOM 1034 O GLN A 67 14.854 4.296 -2.023 1.00 0.66 O ATOM 1035 CB GLN A 67 16.830 4.143 -4.653 1.00 0.88 C ATOM 1036 CG GLN A 67 16.621 4.826 -5.984 1.00 0.74 C ATOM 1037 CD GLN A 67 15.616 5.943 -5.969 1.00 1.15 C ATOM 1038 OE1 GLN A 67 15.822 6.981 -5.340 1.00 1.97 O ATOM 1039 NE2 GLN A 67 14.521 5.735 -6.690 1.00 1.36 N ATOM 0 H GLN A 67 14.892 3.143 -6.037 1.00 0.62 H new ATOM 0 HA GLN A 67 16.042 2.573 -3.465 1.00 0.68 H new ATOM 0 HB2 GLN A 67 17.127 4.898 -3.925 1.00 0.88 H new ATOM 0 HB3 GLN A 67 17.666 3.450 -4.753 1.00 0.88 H new ATOM 0 HG2 GLN A 67 17.577 5.221 -6.328 1.00 0.74 H new ATOM 0 HG3 GLN A 67 16.304 4.080 -6.713 1.00 0.74 H new ATOM 0 HE21 GLN A 67 14.401 4.856 -7.192 1.00 1.36 H new ATOM 0 HE22 GLN A 67 13.800 6.455 -6.742 1.00 1.36 H new ATOM 1048 N ASP A 68 13.932 5.026 -3.914 1.00 0.59 N ATOM 1049 CA ASP A 68 13.070 5.973 -3.262 1.00 0.62 C ATOM 1050 C ASP A 68 11.813 5.307 -2.738 1.00 0.59 C ATOM 1051 O ASP A 68 10.873 5.999 -2.355 1.00 0.66 O ATOM 1052 CB ASP A 68 12.717 7.104 -4.215 1.00 0.74 C ATOM 1053 CG ASP A 68 13.726 8.230 -4.182 1.00 1.00 C ATOM 1054 OD1 ASP A 68 14.122 8.636 -3.073 1.00 1.51 O ATOM 1055 OD2 ASP A 68 14.124 8.704 -5.266 1.00 1.62 O ATOM 0 H ASP A 68 13.817 4.982 -4.927 1.00 0.59 H new ATOM 0 HA ASP A 68 13.607 6.385 -2.407 1.00 0.62 H new ATOM 0 HB2 ASP A 68 12.650 6.711 -5.230 1.00 0.74 H new ATOM 0 HB3 ASP A 68 11.733 7.496 -3.959 1.00 0.74 H new ATOM 1060 N SER A 69 11.807 3.956 -2.669 1.00 0.56 N ATOM 1061 CA SER A 69 10.641 3.204 -2.180 1.00 0.59 C ATOM 1062 C SER A 69 10.069 3.925 -0.973 1.00 0.63 C ATOM 1063 O SER A 69 8.869 3.912 -0.719 1.00 0.75 O ATOM 1064 CB SER A 69 11.042 1.766 -1.830 1.00 0.68 C ATOM 1065 OG SER A 69 12.112 1.747 -0.902 1.00 1.75 O ATOM 0 H SER A 69 12.596 3.371 -2.946 1.00 0.56 H new ATOM 0 HA SER A 69 9.879 3.150 -2.958 1.00 0.59 H new ATOM 0 HB2 SER A 69 10.185 1.237 -1.413 1.00 0.68 H new ATOM 0 HB3 SER A 69 11.333 1.235 -2.737 1.00 0.68 H new ATOM 0 HG SER A 69 12.678 0.965 -1.071 1.00 1.75 H new ATOM 1071 N GLU A 70 10.984 4.555 -0.255 1.00 0.64 N ATOM 1072 CA GLU A 70 10.662 5.409 0.870 1.00 0.76 C ATOM 1073 C GLU A 70 11.062 6.805 0.487 1.00 0.78 C ATOM 1074 O GLU A 70 11.973 7.002 -0.318 1.00 0.81 O ATOM 1075 CB GLU A 70 11.420 5.026 2.134 1.00 0.85 C ATOM 1076 CG GLU A 70 11.824 6.227 3.026 1.00 1.33 C ATOM 1077 CD GLU A 70 10.649 6.926 3.674 1.00 2.19 C ATOM 1078 OE1 GLU A 70 9.507 6.690 3.232 1.00 2.88 O ATOM 1079 OE2 GLU A 70 10.869 7.703 4.624 1.00 2.72 O ATOM 0 H GLU A 70 11.984 4.485 -0.442 1.00 0.64 H new ATOM 0 HA GLU A 70 9.598 5.314 1.087 1.00 0.76 H new ATOM 0 HB2 GLU A 70 10.804 4.345 2.720 1.00 0.85 H new ATOM 0 HB3 GLU A 70 12.320 4.479 1.852 1.00 0.85 H new ATOM 0 HG2 GLU A 70 12.502 5.878 3.805 1.00 1.33 H new ATOM 0 HG3 GLU A 70 12.376 6.947 2.422 1.00 1.33 H new ATOM 1086 N LEU A 71 10.393 7.770 1.050 1.00 0.79 N ATOM 1087 CA LEU A 71 10.731 9.110 0.759 1.00 0.83 C ATOM 1088 C LEU A 71 10.495 10.075 1.937 1.00 0.81 C ATOM 1089 O LEU A 71 9.743 9.786 2.852 1.00 0.86 O ATOM 1090 CB LEU A 71 9.925 9.411 -0.463 1.00 0.99 C ATOM 1091 CG LEU A 71 9.710 10.832 -0.791 1.00 0.79 C ATOM 1092 CD1 LEU A 71 8.790 11.545 0.191 1.00 1.89 C ATOM 1093 CD2 LEU A 71 11.040 11.491 -1.004 1.00 1.26 C ATOM 0 H LEU A 71 9.621 7.644 1.704 1.00 0.79 H new ATOM 0 HA LEU A 71 11.798 9.249 0.584 1.00 0.83 H new ATOM 0 HB2 LEU A 71 10.412 8.937 -1.315 1.00 0.99 H new ATOM 0 HB3 LEU A 71 8.949 8.938 -0.350 1.00 0.99 H new ATOM 0 HG LEU A 71 9.157 10.905 -1.727 1.00 0.79 H new ATOM 0 HD11 LEU A 71 8.675 12.587 -0.109 1.00 1.89 H new ATOM 0 HD12 LEU A 71 7.815 11.058 0.195 1.00 1.89 H new ATOM 0 HD13 LEU A 71 9.221 11.501 1.191 1.00 1.89 H new ATOM 0 HD21 LEU A 71 10.890 12.543 -1.247 1.00 1.26 H new ATOM 0 HD22 LEU A 71 11.636 11.410 -0.095 1.00 1.26 H new ATOM 0 HD23 LEU A 71 11.562 11.000 -1.825 1.00 1.26 H new ATOM 1105 N ARG A 72 11.244 11.170 1.968 1.00 0.77 N ATOM 1106 CA ARG A 72 11.057 12.217 2.961 1.00 0.79 C ATOM 1107 C ARG A 72 10.639 13.506 2.233 1.00 0.68 C ATOM 1108 O ARG A 72 9.953 14.359 2.795 1.00 0.75 O ATOM 1109 CB ARG A 72 12.332 12.441 3.784 1.00 0.91 C ATOM 1110 CG ARG A 72 13.250 11.227 3.858 1.00 1.00 C ATOM 1111 CD ARG A 72 12.507 9.941 4.180 1.00 1.06 C ATOM 1112 NE ARG A 72 11.273 10.173 4.929 1.00 1.30 N ATOM 1113 CZ ARG A 72 11.236 10.381 6.241 1.00 1.18 C ATOM 1114 NH1 ARG A 72 12.360 10.393 6.944 1.00 1.56 N ATOM 1115 NH2 ARG A 72 10.075 10.579 6.850 1.00 1.42 N ATOM 0 H ARG A 72 11.997 11.356 1.306 1.00 0.77 H new ATOM 0 HA ARG A 72 10.278 11.918 3.662 1.00 0.79 H new ATOM 0 HB2 ARG A 72 12.886 13.276 3.354 1.00 0.91 H new ATOM 0 HB3 ARG A 72 12.051 12.732 4.796 1.00 0.91 H new ATOM 0 HG2 ARG A 72 13.769 11.112 2.906 1.00 1.00 H new ATOM 0 HG3 ARG A 72 14.012 11.400 4.618 1.00 1.00 H new ATOM 0 HD2 ARG A 72 12.271 9.421 3.252 1.00 1.06 H new ATOM 0 HD3 ARG A 72 13.159 9.285 4.756 1.00 1.06 H new ATOM 0 HE ARG A 72 10.391 10.175 4.416 1.00 1.30 H new ATOM 0 HH11 ARG A 72 13.255 10.242 6.478 1.00 1.56 H new ATOM 0 HH12 ARG A 72 12.330 10.553 7.951 1.00 1.56 H new ATOM 0 HH21 ARG A 72 9.209 10.572 6.311 1.00 1.42 H new ATOM 0 HH22 ARG A 72 10.048 10.739 7.857 1.00 1.42 H new ATOM 1129 N PHE A 73 11.073 13.623 0.962 1.00 0.60 N ATOM 1130 CA PHE A 73 10.715 14.753 0.108 1.00 0.57 C ATOM 1131 C PHE A 73 9.522 14.422 -0.854 1.00 0.51 C ATOM 1132 O PHE A 73 8.412 14.287 -0.376 1.00 0.63 O ATOM 1133 CB PHE A 73 11.982 15.348 -0.578 1.00 0.64 C ATOM 1134 CG PHE A 73 12.578 14.640 -1.771 1.00 0.58 C ATOM 1135 CD1 PHE A 73 13.081 13.353 -1.684 1.00 1.24 C ATOM 1136 CD2 PHE A 73 12.642 15.290 -2.994 1.00 1.36 C ATOM 1137 CE1 PHE A 73 13.625 12.728 -2.782 1.00 1.31 C ATOM 1138 CE2 PHE A 73 13.188 14.670 -4.100 1.00 1.44 C ATOM 1139 CZ PHE A 73 13.681 13.386 -3.994 1.00 0.86 C ATOM 0 H PHE A 73 11.677 12.937 0.509 1.00 0.60 H new ATOM 0 HA PHE A 73 10.320 15.555 0.732 1.00 0.57 H new ATOM 0 HB2 PHE A 73 11.740 16.365 -0.888 1.00 0.64 H new ATOM 0 HB3 PHE A 73 12.761 15.423 0.181 1.00 0.64 H new ATOM 0 HD1 PHE A 73 13.046 12.831 -0.739 1.00 1.24 H new ATOM 0 HD2 PHE A 73 12.259 16.296 -3.083 1.00 1.36 H new ATOM 0 HE1 PHE A 73 14.008 11.722 -2.696 1.00 1.31 H new ATOM 0 HE2 PHE A 73 13.229 15.189 -5.046 1.00 1.44 H new ATOM 0 HZ PHE A 73 14.109 12.897 -4.857 1.00 0.86 H new ATOM 1149 N SER A 74 9.707 14.218 -2.168 1.00 0.48 N ATOM 1150 CA SER A 74 8.537 13.994 -3.058 1.00 0.46 C ATOM 1151 C SER A 74 8.480 12.636 -3.724 1.00 0.42 C ATOM 1152 O SER A 74 7.503 12.308 -4.398 1.00 0.47 O ATOM 1153 CB SER A 74 8.457 15.060 -4.142 1.00 0.60 C ATOM 1154 OG SER A 74 9.750 15.442 -4.581 1.00 1.01 O ATOM 0 H SER A 74 10.615 14.202 -2.632 1.00 0.48 H new ATOM 0 HA SER A 74 7.685 14.051 -2.381 1.00 0.46 H new ATOM 0 HB2 SER A 74 7.880 14.682 -4.986 1.00 0.60 H new ATOM 0 HB3 SER A 74 7.927 15.932 -3.760 1.00 0.60 H new ATOM 0 HG SER A 74 9.670 16.126 -5.278 1.00 1.01 H new ATOM 1160 N GLU A 75 9.499 11.857 -3.542 1.00 0.43 N ATOM 1161 CA GLU A 75 9.550 10.515 -4.137 1.00 0.42 C ATOM 1162 C GLU A 75 8.610 9.490 -3.460 1.00 0.42 C ATOM 1163 O GLU A 75 8.764 8.287 -3.668 1.00 0.55 O ATOM 1164 CB GLU A 75 10.971 9.972 -4.060 1.00 0.44 C ATOM 1165 CG GLU A 75 12.032 10.950 -4.500 1.00 0.60 C ATOM 1166 CD GLU A 75 12.135 11.069 -6.008 1.00 0.93 C ATOM 1167 OE1 GLU A 75 11.406 11.903 -6.587 1.00 1.60 O ATOM 1168 OE2 GLU A 75 12.940 10.330 -6.612 1.00 1.42 O ATOM 0 H GLU A 75 10.319 12.107 -2.989 1.00 0.43 H new ATOM 0 HA GLU A 75 9.215 10.637 -5.167 1.00 0.42 H new ATOM 0 HB2 GLU A 75 11.176 9.668 -3.034 1.00 0.44 H new ATOM 0 HB3 GLU A 75 11.040 9.077 -4.678 1.00 0.44 H new ATOM 0 HG2 GLU A 75 11.813 11.931 -4.077 1.00 0.60 H new ATOM 0 HG3 GLU A 75 12.996 10.638 -4.098 1.00 0.60 H new ATOM 1175 N TYR A 76 7.645 9.954 -2.662 1.00 0.38 N ATOM 1176 CA TYR A 76 6.750 9.059 -1.947 1.00 0.38 C ATOM 1177 C TYR A 76 5.983 8.187 -2.901 1.00 0.39 C ATOM 1178 O TYR A 76 5.585 7.077 -2.562 1.00 0.43 O ATOM 1179 CB TYR A 76 5.810 9.848 -1.029 1.00 0.40 C ATOM 1180 CG TYR A 76 6.255 9.898 0.408 1.00 0.41 C ATOM 1181 CD1 TYR A 76 7.007 8.879 0.959 1.00 1.29 C ATOM 1182 CD2 TYR A 76 5.945 10.983 1.208 1.00 1.22 C ATOM 1183 CE1 TYR A 76 7.429 8.923 2.242 1.00 1.30 C ATOM 1184 CE2 TYR A 76 6.371 11.042 2.515 1.00 1.25 C ATOM 1185 CZ TYR A 76 7.117 10.009 3.032 1.00 0.49 C ATOM 1186 OH TYR A 76 7.546 10.057 4.338 1.00 0.55 O ATOM 0 H TYR A 76 7.468 10.945 -2.499 1.00 0.38 H new ATOM 0 HA TYR A 76 7.354 8.404 -1.319 1.00 0.38 H new ATOM 0 HB2 TYR A 76 5.721 10.867 -1.406 1.00 0.40 H new ATOM 0 HB3 TYR A 76 4.816 9.403 -1.075 1.00 0.40 H new ATOM 0 HD1 TYR A 76 7.264 8.026 0.349 1.00 1.29 H new ATOM 0 HD2 TYR A 76 5.361 11.795 0.801 1.00 1.22 H new ATOM 0 HE1 TYR A 76 8.010 8.108 2.648 1.00 1.30 H new ATOM 0 HE2 TYR A 76 6.121 11.894 3.130 1.00 1.25 H new ATOM 0 HH TYR A 76 8.515 9.915 4.369 1.00 0.55 H new ATOM 1196 N TRP A 77 5.838 8.650 -4.120 1.00 0.39 N ATOM 1197 CA TRP A 77 5.153 7.854 -5.125 1.00 0.43 C ATOM 1198 C TRP A 77 5.886 6.527 -5.314 1.00 0.45 C ATOM 1199 O TRP A 77 5.365 5.615 -5.946 1.00 0.49 O ATOM 1200 CB TRP A 77 5.108 8.574 -6.468 1.00 0.44 C ATOM 1201 CG TRP A 77 6.476 8.822 -7.005 1.00 0.44 C ATOM 1202 CD1 TRP A 77 7.358 7.879 -7.431 1.00 0.49 C ATOM 1203 CD2 TRP A 77 7.127 10.083 -7.152 1.00 0.45 C ATOM 1204 NE1 TRP A 77 8.525 8.471 -7.828 1.00 0.52 N ATOM 1205 CE2 TRP A 77 8.407 9.830 -7.674 1.00 0.50 C ATOM 1206 CE3 TRP A 77 6.749 11.399 -6.894 1.00 0.46 C ATOM 1207 CZ2 TRP A 77 9.315 10.852 -7.941 1.00 0.55 C ATOM 1208 CZ3 TRP A 77 7.646 12.413 -7.158 1.00 0.51 C ATOM 1209 CH2 TRP A 77 8.917 12.137 -7.678 1.00 0.55 C ATOM 0 H TRP A 77 6.176 9.557 -4.442 1.00 0.39 H new ATOM 0 HA TRP A 77 4.133 7.687 -4.778 1.00 0.43 H new ATOM 0 HB2 TRP A 77 4.539 7.978 -7.182 1.00 0.44 H new ATOM 0 HB3 TRP A 77 4.583 9.523 -6.355 1.00 0.44 H new ATOM 0 HD1 TRP A 77 7.165 6.817 -7.453 1.00 0.49 H new ATOM 0 HE1 TRP A 77 9.348 7.983 -8.181 1.00 0.52 H new ATOM 0 HE3 TRP A 77 5.771 11.621 -6.494 1.00 0.46 H new ATOM 0 HZ2 TRP A 77 10.296 10.640 -8.340 1.00 0.55 H new ATOM 0 HZ3 TRP A 77 7.364 13.437 -6.961 1.00 0.51 H new ATOM 0 HH2 TRP A 77 9.597 12.953 -7.876 1.00 0.55 H new ATOM 1220 N ARG A 78 7.107 6.422 -4.769 1.00 0.43 N ATOM 1221 CA ARG A 78 7.890 5.214 -4.918 1.00 0.47 C ATOM 1222 C ARG A 78 7.385 4.169 -3.950 1.00 0.49 C ATOM 1223 O ARG A 78 7.482 2.975 -4.218 1.00 0.61 O ATOM 1224 CB ARG A 78 9.375 5.523 -4.734 1.00 0.50 C ATOM 1225 CG ARG A 78 9.974 6.177 -5.962 1.00 0.60 C ATOM 1226 CD ARG A 78 10.213 5.171 -7.073 1.00 0.77 C ATOM 1227 NE ARG A 78 10.748 5.800 -8.277 1.00 1.48 N ATOM 1228 CZ ARG A 78 11.108 5.123 -9.363 1.00 1.75 C ATOM 1229 NH1 ARG A 78 10.987 3.803 -9.396 1.00 1.37 N ATOM 1230 NH2 ARG A 78 11.590 5.766 -10.419 1.00 2.82 N ATOM 0 H ARG A 78 7.559 7.159 -4.228 1.00 0.43 H new ATOM 0 HA ARG A 78 7.777 4.811 -5.925 1.00 0.47 H new ATOM 0 HB2 ARG A 78 9.505 6.179 -3.874 1.00 0.50 H new ATOM 0 HB3 ARG A 78 9.913 4.601 -4.515 1.00 0.50 H new ATOM 0 HG2 ARG A 78 9.307 6.962 -6.319 1.00 0.60 H new ATOM 0 HG3 ARG A 78 10.916 6.656 -5.696 1.00 0.60 H new ATOM 0 HD2 ARG A 78 10.907 4.406 -6.725 1.00 0.77 H new ATOM 0 HD3 ARG A 78 9.277 4.667 -7.313 1.00 0.77 H new ATOM 0 HE ARG A 78 10.851 6.815 -8.285 1.00 1.48 H new ATOM 0 HH11 ARG A 78 10.617 3.304 -8.587 1.00 1.37 H new ATOM 0 HH12 ARG A 78 11.264 3.286 -10.231 1.00 1.37 H new ATOM 0 HH21 ARG A 78 11.685 6.781 -10.398 1.00 2.82 H new ATOM 0 HH22 ARG A 78 11.866 5.245 -11.251 1.00 2.82 H new ATOM 1244 N LEU A 79 6.840 4.625 -2.821 1.00 0.43 N ATOM 1245 CA LEU A 79 6.247 3.710 -1.862 1.00 0.46 C ATOM 1246 C LEU A 79 5.029 3.063 -2.510 1.00 0.47 C ATOM 1247 O LEU A 79 4.642 1.945 -2.174 1.00 0.53 O ATOM 1248 CB LEU A 79 5.750 4.403 -0.578 1.00 0.55 C ATOM 1249 CG LEU A 79 6.371 5.746 -0.171 1.00 0.63 C ATOM 1250 CD1 LEU A 79 5.256 6.737 0.156 1.00 1.24 C ATOM 1251 CD2 LEU A 79 7.253 5.568 1.051 1.00 0.89 C ATOM 0 H LEU A 79 6.800 5.609 -2.556 1.00 0.43 H new ATOM 0 HA LEU A 79 7.024 2.997 -1.587 1.00 0.46 H new ATOM 0 HB2 LEU A 79 4.675 4.555 -0.680 1.00 0.55 H new ATOM 0 HB3 LEU A 79 5.897 3.708 0.249 1.00 0.55 H new ATOM 0 HG LEU A 79 6.976 6.122 -0.996 1.00 0.63 H new ATOM 0 HD11 LEU A 79 5.692 7.693 0.446 1.00 1.24 H new ATOM 0 HD12 LEU A 79 4.625 6.877 -0.722 1.00 1.24 H new ATOM 0 HD13 LEU A 79 4.654 6.349 0.978 1.00 1.24 H new ATOM 0 HD21 LEU A 79 7.687 6.528 1.329 1.00 0.89 H new ATOM 0 HD22 LEU A 79 6.655 5.187 1.879 1.00 0.89 H new ATOM 0 HD23 LEU A 79 8.051 4.861 0.824 1.00 0.89 H new ATOM 1263 N ILE A 80 4.426 3.804 -3.439 1.00 0.46 N ATOM 1264 CA ILE A 80 3.222 3.375 -4.120 1.00 0.49 C ATOM 1265 C ILE A 80 3.225 1.886 -4.476 1.00 0.49 C ATOM 1266 O ILE A 80 2.319 1.151 -4.083 1.00 0.51 O ATOM 1267 CB ILE A 80 2.932 4.272 -5.363 1.00 0.53 C ATOM 1268 CG1 ILE A 80 1.424 4.415 -5.588 1.00 0.60 C ATOM 1269 CG2 ILE A 80 3.591 3.736 -6.621 1.00 0.57 C ATOM 1270 CD1 ILE A 80 0.700 5.091 -4.445 1.00 1.16 C ATOM 0 H ILE A 80 4.765 4.719 -3.735 1.00 0.46 H new ATOM 0 HA ILE A 80 2.403 3.503 -3.413 1.00 0.49 H new ATOM 0 HB ILE A 80 3.360 5.252 -5.153 1.00 0.53 H new ATOM 0 HG12 ILE A 80 1.254 4.985 -6.502 1.00 0.60 H new ATOM 0 HG13 ILE A 80 0.994 3.426 -5.745 1.00 0.60 H new ATOM 0 HG21 ILE A 80 3.361 4.393 -7.460 1.00 0.57 H new ATOM 0 HG22 ILE A 80 4.671 3.695 -6.477 1.00 0.57 H new ATOM 0 HG23 ILE A 80 3.215 2.735 -6.830 1.00 0.57 H new ATOM 0 HD11 ILE A 80 -0.363 5.157 -4.676 1.00 1.16 H new ATOM 0 HD12 ILE A 80 0.838 4.511 -3.533 1.00 1.16 H new ATOM 0 HD13 ILE A 80 1.103 6.094 -4.301 1.00 1.16 H new ATOM 1282 N GLY A 81 4.230 1.442 -5.215 1.00 0.48 N ATOM 1283 CA GLY A 81 4.299 0.043 -5.586 1.00 0.49 C ATOM 1284 C GLY A 81 4.863 -0.822 -4.475 1.00 0.43 C ATOM 1285 O GLY A 81 4.951 -2.041 -4.617 1.00 0.43 O ATOM 0 H GLY A 81 4.995 2.020 -5.563 1.00 0.48 H new ATOM 0 HA2 GLY A 81 3.302 -0.311 -5.847 1.00 0.49 H new ATOM 0 HA3 GLY A 81 4.919 -0.064 -6.476 1.00 0.49 H new ATOM 1289 N GLU A 82 5.240 -0.194 -3.362 1.00 0.41 N ATOM 1290 CA GLU A 82 5.816 -0.927 -2.238 1.00 0.39 C ATOM 1291 C GLU A 82 4.738 -1.543 -1.370 1.00 0.33 C ATOM 1292 O GLU A 82 4.718 -2.749 -1.145 1.00 0.34 O ATOM 1293 CB GLU A 82 6.668 -0.012 -1.382 1.00 0.43 C ATOM 1294 CG GLU A 82 7.729 0.744 -2.163 1.00 0.46 C ATOM 1295 CD GLU A 82 8.722 -0.181 -2.842 1.00 0.71 C ATOM 1296 OE1 GLU A 82 9.618 -0.706 -2.148 1.00 1.39 O ATOM 1297 OE2 GLU A 82 8.600 -0.380 -4.068 1.00 1.47 O ATOM 0 H GLU A 82 5.158 0.812 -3.216 1.00 0.41 H new ATOM 0 HA GLU A 82 6.434 -1.722 -2.656 1.00 0.39 H new ATOM 0 HB2 GLU A 82 6.021 0.706 -0.878 1.00 0.43 H new ATOM 0 HB3 GLU A 82 7.154 -0.604 -0.606 1.00 0.43 H new ATOM 0 HG2 GLU A 82 7.246 1.368 -2.915 1.00 0.46 H new ATOM 0 HG3 GLU A 82 8.263 1.413 -1.489 1.00 0.46 H new ATOM 1304 N LEU A 83 3.855 -0.700 -0.847 1.00 0.34 N ATOM 1305 CA LEU A 83 2.775 -1.179 0.004 1.00 0.35 C ATOM 1306 C LEU A 83 2.041 -2.313 -0.678 1.00 0.35 C ATOM 1307 O LEU A 83 1.425 -3.155 -0.024 1.00 0.43 O ATOM 1308 CB LEU A 83 1.806 -0.051 0.350 1.00 0.43 C ATOM 1309 CG LEU A 83 2.328 0.984 1.355 1.00 0.50 C ATOM 1310 CD1 LEU A 83 3.466 1.798 0.759 1.00 1.26 C ATOM 1311 CD2 LEU A 83 1.200 1.899 1.806 1.00 1.31 C ATOM 0 H LEU A 83 3.866 0.309 -0.996 1.00 0.34 H new ATOM 0 HA LEU A 83 3.210 -1.545 0.934 1.00 0.35 H new ATOM 0 HB2 LEU A 83 1.535 0.467 -0.570 1.00 0.43 H new ATOM 0 HB3 LEU A 83 0.892 -0.491 0.749 1.00 0.43 H new ATOM 0 HG LEU A 83 2.714 0.449 2.223 1.00 0.50 H new ATOM 0 HD11 LEU A 83 3.817 2.524 1.492 1.00 1.26 H new ATOM 0 HD12 LEU A 83 4.285 1.133 0.486 1.00 1.26 H new ATOM 0 HD13 LEU A 83 3.113 2.322 -0.129 1.00 1.26 H new ATOM 0 HD21 LEU A 83 1.586 2.628 2.519 1.00 1.31 H new ATOM 0 HD22 LEU A 83 0.787 2.420 0.942 1.00 1.31 H new ATOM 0 HD23 LEU A 83 0.418 1.306 2.281 1.00 1.31 H new ATOM 1323 N ALA A 84 2.108 -2.326 -1.999 1.00 0.34 N ATOM 1324 CA ALA A 84 1.477 -3.377 -2.764 1.00 0.37 C ATOM 1325 C ALA A 84 2.296 -4.654 -2.682 1.00 0.41 C ATOM 1326 O ALA A 84 1.750 -5.752 -2.759 1.00 0.48 O ATOM 1327 CB ALA A 84 1.297 -2.942 -4.203 1.00 0.42 C ATOM 0 H ALA A 84 2.591 -1.622 -2.557 1.00 0.34 H new ATOM 0 HA ALA A 84 0.492 -3.577 -2.342 1.00 0.37 H new ATOM 0 HB1 ALA A 84 0.821 -3.743 -4.768 1.00 0.42 H new ATOM 0 HB2 ALA A 84 0.670 -2.051 -4.238 1.00 0.42 H new ATOM 0 HB3 ALA A 84 2.270 -2.719 -4.640 1.00 0.42 H new ATOM 1333 N LYS A 85 3.616 -4.513 -2.524 1.00 0.42 N ATOM 1334 CA LYS A 85 4.490 -5.675 -2.377 1.00 0.51 C ATOM 1335 C LYS A 85 3.923 -6.587 -1.303 1.00 0.50 C ATOM 1336 O LYS A 85 4.153 -7.796 -1.303 1.00 0.67 O ATOM 1337 CB LYS A 85 5.917 -5.247 -2.013 1.00 0.62 C ATOM 1338 CG LYS A 85 6.983 -5.889 -2.884 1.00 1.18 C ATOM 1339 CD LYS A 85 7.125 -5.163 -4.212 1.00 1.42 C ATOM 1340 CE LYS A 85 8.022 -3.937 -4.095 1.00 1.55 C ATOM 1341 NZ LYS A 85 7.594 -2.850 -5.017 1.00 2.69 N ATOM 0 H LYS A 85 4.097 -3.614 -2.495 1.00 0.42 H new ATOM 0 HA LYS A 85 4.536 -6.208 -3.327 1.00 0.51 H new ATOM 0 HB2 LYS A 85 5.995 -4.163 -2.097 1.00 0.62 H new ATOM 0 HB3 LYS A 85 6.109 -5.501 -0.971 1.00 0.62 H new ATOM 0 HG2 LYS A 85 7.938 -5.880 -2.359 1.00 1.18 H new ATOM 0 HG3 LYS A 85 6.728 -6.933 -3.064 1.00 1.18 H new ATOM 0 HD2 LYS A 85 7.537 -5.845 -4.956 1.00 1.42 H new ATOM 0 HD3 LYS A 85 6.140 -4.860 -4.567 1.00 1.42 H new ATOM 0 HE2 LYS A 85 8.005 -3.571 -3.069 1.00 1.55 H new ATOM 0 HE3 LYS A 85 9.052 -4.217 -4.317 1.00 1.55 H new ATOM 0 HZ1 LYS A 85 8.090 -1.970 -4.770 1.00 2.69 H new ATOM 0 HZ2 LYS A 85 7.824 -3.115 -5.996 1.00 2.69 H new ATOM 0 HZ3 LYS A 85 6.568 -2.705 -4.930 1.00 2.69 H new ATOM 1355 N GLU A 86 3.161 -5.989 -0.394 1.00 0.45 N ATOM 1356 CA GLU A 86 2.529 -6.729 0.669 1.00 0.45 C ATOM 1357 C GLU A 86 1.290 -7.432 0.142 1.00 0.44 C ATOM 1358 O GLU A 86 1.130 -8.645 0.280 1.00 0.46 O ATOM 1359 CB GLU A 86 2.111 -5.801 1.817 1.00 0.48 C ATOM 1360 CG GLU A 86 3.037 -4.654 2.122 1.00 0.98 C ATOM 1361 CD GLU A 86 2.309 -3.614 2.949 1.00 2.08 C ATOM 1362 OE1 GLU A 86 1.490 -4.012 3.805 1.00 2.91 O ATOM 1363 OE2 GLU A 86 2.536 -2.411 2.736 1.00 2.61 O ATOM 0 H GLU A 86 2.971 -4.987 -0.381 1.00 0.45 H new ATOM 0 HA GLU A 86 3.250 -7.456 1.042 1.00 0.45 H new ATOM 0 HB2 GLU A 86 1.127 -5.393 1.586 1.00 0.48 H new ATOM 0 HB3 GLU A 86 2.003 -6.402 2.720 1.00 0.48 H new ATOM 0 HG2 GLU A 86 3.912 -5.015 2.663 1.00 0.98 H new ATOM 0 HG3 GLU A 86 3.397 -4.208 1.195 1.00 0.98 H new ATOM 1370 N VAL A 87 0.416 -6.642 -0.469 1.00 0.44 N ATOM 1371 CA VAL A 87 -0.831 -7.146 -1.016 1.00 0.46 C ATOM 1372 C VAL A 87 -0.618 -7.952 -2.295 1.00 0.47 C ATOM 1373 O VAL A 87 -1.563 -8.530 -2.833 1.00 0.54 O ATOM 1374 CB VAL A 87 -1.806 -5.977 -1.302 1.00 0.54 C ATOM 1375 CG1 VAL A 87 -3.083 -6.469 -1.972 1.00 1.00 C ATOM 1376 CG2 VAL A 87 -2.102 -5.215 -0.018 1.00 0.81 C ATOM 0 H VAL A 87 0.553 -5.639 -0.597 1.00 0.44 H new ATOM 0 HA VAL A 87 -1.259 -7.812 -0.267 1.00 0.46 H new ATOM 0 HB VAL A 87 -1.327 -5.291 -2.001 1.00 0.54 H new ATOM 0 HG11 VAL A 87 -3.745 -5.623 -2.159 1.00 1.00 H new ATOM 0 HG12 VAL A 87 -2.835 -6.951 -2.918 1.00 1.00 H new ATOM 0 HG13 VAL A 87 -3.584 -7.185 -1.320 1.00 1.00 H new ATOM 0 HG21 VAL A 87 -2.788 -4.396 -0.231 1.00 0.81 H new ATOM 0 HG22 VAL A 87 -2.556 -5.889 0.709 1.00 0.81 H new ATOM 0 HG23 VAL A 87 -1.174 -4.814 0.389 1.00 0.81 H new ATOM 1386 N ARG A 88 0.613 -7.999 -2.781 1.00 0.50 N ATOM 1387 CA ARG A 88 0.904 -8.733 -4.004 1.00 0.52 C ATOM 1388 C ARG A 88 0.617 -10.223 -3.832 1.00 0.50 C ATOM 1389 O ARG A 88 -0.366 -10.728 -4.370 1.00 0.59 O ATOM 1390 CB ARG A 88 2.349 -8.490 -4.430 1.00 0.56 C ATOM 1391 CG ARG A 88 2.574 -8.643 -5.924 1.00 0.67 C ATOM 1392 CD ARG A 88 2.229 -10.045 -6.404 1.00 1.33 C ATOM 1393 NE ARG A 88 2.499 -10.215 -7.829 1.00 1.83 N ATOM 1394 CZ ARG A 88 2.232 -11.329 -8.503 1.00 2.72 C ATOM 1395 NH1 ARG A 88 1.681 -12.365 -7.885 1.00 3.25 N ATOM 1396 NH2 ARG A 88 2.515 -11.408 -9.796 1.00 3.50 N ATOM 0 H ARG A 88 1.419 -7.543 -2.353 1.00 0.50 H new ATOM 0 HA ARG A 88 0.248 -8.367 -4.794 1.00 0.52 H new ATOM 0 HB2 ARG A 88 2.645 -7.486 -4.127 1.00 0.56 H new ATOM 0 HB3 ARG A 88 2.998 -9.187 -3.900 1.00 0.56 H new ATOM 0 HG2 ARG A 88 1.966 -7.915 -6.460 1.00 0.67 H new ATOM 0 HG3 ARG A 88 3.615 -8.424 -6.160 1.00 0.67 H new ATOM 0 HD2 ARG A 88 2.805 -10.775 -5.836 1.00 1.33 H new ATOM 0 HD3 ARG A 88 1.176 -10.247 -6.207 1.00 1.33 H new ATOM 0 HE ARG A 88 2.916 -9.434 -8.336 1.00 1.83 H new ATOM 0 HH11 ARG A 88 1.461 -12.308 -6.891 1.00 3.25 H new ATOM 0 HH12 ARG A 88 1.477 -13.219 -8.404 1.00 3.25 H new ATOM 0 HH21 ARG A 88 2.938 -10.613 -10.275 1.00 3.50 H new ATOM 0 HH22 ARG A 88 2.309 -12.264 -10.312 1.00 3.50 H new ATOM 1410 N LYS A 89 1.465 -10.926 -3.090 1.00 0.47 N ATOM 1411 CA LYS A 89 1.246 -12.351 -2.856 1.00 0.49 C ATOM 1412 C LYS A 89 -0.034 -12.531 -2.070 1.00 0.49 C ATOM 1413 O LYS A 89 -0.797 -13.474 -2.276 1.00 0.55 O ATOM 1414 CB LYS A 89 2.395 -12.969 -2.055 1.00 0.56 C ATOM 1415 CG LYS A 89 2.477 -12.468 -0.613 1.00 0.70 C ATOM 1416 CD LYS A 89 3.335 -13.355 0.253 1.00 1.55 C ATOM 1417 CE LYS A 89 2.548 -13.791 1.481 1.00 2.44 C ATOM 1418 NZ LYS A 89 1.648 -14.943 1.198 1.00 3.29 N ATOM 0 H LYS A 89 2.299 -10.541 -2.646 1.00 0.47 H new ATOM 0 HA LYS A 89 1.186 -12.848 -3.824 1.00 0.49 H new ATOM 0 HB2 LYS A 89 2.280 -14.053 -2.048 1.00 0.56 H new ATOM 0 HB3 LYS A 89 3.336 -12.752 -2.560 1.00 0.56 H new ATOM 0 HG2 LYS A 89 2.881 -11.456 -0.605 1.00 0.70 H new ATOM 0 HG3 LYS A 89 1.473 -12.414 -0.192 1.00 0.70 H new ATOM 0 HD2 LYS A 89 3.658 -14.229 -0.313 1.00 1.55 H new ATOM 0 HD3 LYS A 89 4.235 -12.821 0.557 1.00 1.55 H new ATOM 0 HE2 LYS A 89 3.242 -14.062 2.277 1.00 2.44 H new ATOM 0 HE3 LYS A 89 1.956 -12.952 1.847 1.00 2.44 H new ATOM 0 HZ1 LYS A 89 0.749 -14.814 1.705 1.00 3.29 H new ATOM 0 HZ2 LYS A 89 1.464 -14.997 0.176 1.00 3.29 H new ATOM 0 HZ3 LYS A 89 2.101 -15.824 1.515 1.00 3.29 H new ATOM 1432 N GLU A 90 -0.245 -11.588 -1.169 1.00 0.47 N ATOM 1433 CA GLU A 90 -1.388 -11.590 -0.297 1.00 0.52 C ATOM 1434 C GLU A 90 -2.692 -11.725 -1.080 1.00 0.55 C ATOM 1435 O GLU A 90 -3.712 -12.113 -0.521 1.00 0.62 O ATOM 1436 CB GLU A 90 -1.336 -10.335 0.581 1.00 0.55 C ATOM 1437 CG GLU A 90 -0.465 -10.517 1.810 1.00 0.62 C ATOM 1438 CD GLU A 90 -0.941 -11.633 2.716 1.00 1.26 C ATOM 1439 OE1 GLU A 90 -0.525 -12.791 2.499 1.00 1.95 O ATOM 1440 OE2 GLU A 90 -1.723 -11.348 3.646 1.00 1.97 O ATOM 0 H GLU A 90 0.382 -10.796 -1.027 1.00 0.47 H new ATOM 0 HA GLU A 90 -1.358 -12.463 0.355 1.00 0.52 H new ATOM 0 HB2 GLU A 90 -0.957 -9.500 -0.008 1.00 0.55 H new ATOM 0 HB3 GLU A 90 -2.347 -10.072 0.893 1.00 0.55 H new ATOM 0 HG2 GLU A 90 0.558 -10.724 1.495 1.00 0.62 H new ATOM 0 HG3 GLU A 90 -0.443 -9.584 2.373 1.00 0.62 H new ATOM 1447 N LYS A 91 -2.658 -11.434 -2.380 1.00 0.54 N ATOM 1448 CA LYS A 91 -3.850 -11.570 -3.210 1.00 0.61 C ATOM 1449 C LYS A 91 -4.291 -13.027 -3.279 1.00 0.63 C ATOM 1450 O LYS A 91 -5.462 -13.348 -3.073 1.00 0.70 O ATOM 1451 CB LYS A 91 -3.604 -11.033 -4.621 1.00 0.62 C ATOM 1452 CG LYS A 91 -2.768 -11.947 -5.504 1.00 0.61 C ATOM 1453 CD LYS A 91 -2.448 -11.284 -6.833 1.00 0.67 C ATOM 1454 CE LYS A 91 -1.611 -12.190 -7.721 1.00 0.70 C ATOM 1455 NZ LYS A 91 -1.280 -11.540 -9.020 1.00 1.38 N ATOM 0 H LYS A 91 -1.828 -11.107 -2.875 1.00 0.54 H new ATOM 0 HA LYS A 91 -4.643 -10.980 -2.751 1.00 0.61 H new ATOM 0 HB2 LYS A 91 -4.566 -10.861 -5.104 1.00 0.62 H new ATOM 0 HB3 LYS A 91 -3.107 -10.066 -4.547 1.00 0.62 H new ATOM 0 HG2 LYS A 91 -1.842 -12.205 -4.991 1.00 0.61 H new ATOM 0 HG3 LYS A 91 -3.305 -12.879 -5.679 1.00 0.61 H new ATOM 0 HD2 LYS A 91 -3.375 -11.027 -7.345 1.00 0.67 H new ATOM 0 HD3 LYS A 91 -1.913 -10.351 -6.656 1.00 0.67 H new ATOM 0 HE2 LYS A 91 -0.690 -12.456 -7.203 1.00 0.70 H new ATOM 0 HE3 LYS A 91 -2.152 -13.118 -7.906 1.00 0.70 H new ATOM 0 HZ1 LYS A 91 -0.709 -12.189 -9.597 1.00 1.38 H new ATOM 0 HZ2 LYS A 91 -2.159 -11.309 -9.526 1.00 1.38 H new ATOM 0 HZ3 LYS A 91 -0.742 -10.668 -8.844 1.00 1.38 H new ATOM 1469 N ALA A 92 -3.338 -13.898 -3.571 1.00 0.61 N ATOM 1470 CA ALA A 92 -3.608 -15.329 -3.686 1.00 0.66 C ATOM 1471 C ALA A 92 -3.657 -16.031 -2.335 1.00 0.64 C ATOM 1472 O ALA A 92 -4.376 -17.015 -2.174 1.00 0.70 O ATOM 1473 CB ALA A 92 -2.572 -15.986 -4.586 1.00 0.75 C ATOM 0 H ALA A 92 -2.365 -13.641 -3.734 1.00 0.61 H new ATOM 0 HA ALA A 92 -4.598 -15.432 -4.130 1.00 0.66 H new ATOM 0 HB1 ALA A 92 -2.783 -17.053 -4.665 1.00 0.75 H new ATOM 0 HB2 ALA A 92 -2.612 -15.534 -5.577 1.00 0.75 H new ATOM 0 HB3 ALA A 92 -1.578 -15.843 -4.162 1.00 0.75 H new ATOM 1479 N LEU A 93 -2.892 -15.547 -1.364 1.00 0.62 N ATOM 1480 CA LEU A 93 -2.893 -16.181 -0.047 1.00 0.66 C ATOM 1481 C LEU A 93 -4.088 -15.749 0.785 1.00 0.59 C ATOM 1482 O LEU A 93 -4.446 -16.428 1.746 1.00 0.64 O ATOM 1483 CB LEU A 93 -1.608 -15.909 0.723 1.00 0.75 C ATOM 1484 CG LEU A 93 -1.517 -16.672 2.046 1.00 0.82 C ATOM 1485 CD1 LEU A 93 -0.273 -17.548 2.074 1.00 1.03 C ATOM 1486 CD2 LEU A 93 -1.516 -15.704 3.220 1.00 0.95 C ATOM 0 H LEU A 93 -2.277 -14.739 -1.456 1.00 0.62 H new ATOM 0 HA LEU A 93 -2.962 -17.253 -0.229 1.00 0.66 H new ATOM 0 HB2 LEU A 93 -0.756 -16.177 0.099 1.00 0.75 H new ATOM 0 HB3 LEU A 93 -1.533 -14.840 0.923 1.00 0.75 H new ATOM 0 HG LEU A 93 -2.392 -17.317 2.132 1.00 0.82 H new ATOM 0 HD11 LEU A 93 -0.226 -18.083 3.023 1.00 1.03 H new ATOM 0 HD12 LEU A 93 -0.315 -18.266 1.255 1.00 1.03 H new ATOM 0 HD13 LEU A 93 0.614 -16.924 1.965 1.00 1.03 H new ATOM 0 HD21 LEU A 93 -1.451 -16.264 4.153 1.00 0.95 H new ATOM 0 HD22 LEU A 93 -0.660 -15.034 3.138 1.00 0.95 H new ATOM 0 HD23 LEU A 93 -2.436 -15.120 3.211 1.00 0.95 H new ATOM 1498 N GLY A 94 -4.709 -14.624 0.430 1.00 0.53 N ATOM 1499 CA GLY A 94 -5.881 -14.171 1.170 1.00 0.52 C ATOM 1500 C GLY A 94 -6.836 -15.300 1.412 1.00 0.52 C ATOM 1501 O GLY A 94 -7.455 -15.397 2.471 1.00 0.57 O ATOM 0 H GLY A 94 -4.428 -14.024 -0.346 1.00 0.53 H new ATOM 0 HA2 GLY A 94 -5.570 -13.743 2.123 1.00 0.52 H new ATOM 0 HA3 GLY A 94 -6.383 -13.379 0.614 1.00 0.52 H new ATOM 1505 N ILE A 95 -6.959 -16.151 0.403 1.00 0.54 N ATOM 1506 CA ILE A 95 -7.846 -17.285 0.490 1.00 0.57 C ATOM 1507 C ILE A 95 -7.301 -18.301 1.464 1.00 0.61 C ATOM 1508 O ILE A 95 -6.921 -19.409 1.089 1.00 0.67 O ATOM 1509 CB ILE A 95 -8.095 -17.947 -0.876 1.00 0.63 C ATOM 1510 CG1 ILE A 95 -6.804 -18.046 -1.685 1.00 1.32 C ATOM 1511 CG2 ILE A 95 -9.143 -17.170 -1.641 1.00 1.09 C ATOM 1512 CD1 ILE A 95 -6.922 -18.947 -2.895 1.00 1.68 C ATOM 0 H ILE A 95 -6.454 -16.072 -0.480 1.00 0.54 H new ATOM 0 HA ILE A 95 -8.806 -16.911 0.847 1.00 0.57 H new ATOM 0 HB ILE A 95 -8.458 -18.961 -0.706 1.00 0.63 H new ATOM 0 HG12 ILE A 95 -6.511 -17.048 -2.011 1.00 1.32 H new ATOM 0 HG13 ILE A 95 -6.007 -18.418 -1.040 1.00 1.32 H new ATOM 0 HG21 ILE A 95 -9.314 -17.644 -2.607 1.00 1.09 H new ATOM 0 HG22 ILE A 95 -10.073 -17.157 -1.073 1.00 1.09 H new ATOM 0 HG23 ILE A 95 -8.798 -16.148 -1.795 1.00 1.09 H new ATOM 0 HD11 ILE A 95 -5.969 -18.972 -3.424 1.00 1.68 H new ATOM 0 HD12 ILE A 95 -7.185 -19.955 -2.574 1.00 1.68 H new ATOM 0 HD13 ILE A 95 -7.696 -18.564 -3.560 1.00 1.68 H new ATOM 1524 N ARG A 96 -7.246 -17.894 2.721 1.00 0.64 N ATOM 1525 CA ARG A 96 -6.773 -18.761 3.780 1.00 0.74 C ATOM 1526 C ARG A 96 -7.918 -19.672 4.164 1.00 0.82 C ATOM 1527 O ARG A 96 -7.729 -20.840 4.502 1.00 0.93 O ATOM 1528 CB ARG A 96 -6.294 -17.936 4.977 1.00 0.84 C ATOM 1529 CG ARG A 96 -4.885 -17.387 4.823 1.00 1.65 C ATOM 1530 CD ARG A 96 -3.832 -18.454 5.078 1.00 2.45 C ATOM 1531 NE ARG A 96 -3.757 -18.822 6.489 1.00 2.91 N ATOM 1532 CZ ARG A 96 -2.856 -19.665 6.982 1.00 3.85 C ATOM 1533 NH1 ARG A 96 -1.962 -20.226 6.179 1.00 4.47 N ATOM 1534 NH2 ARG A 96 -2.846 -19.946 8.278 1.00 4.48 N ATOM 0 H ARG A 96 -7.525 -16.963 3.031 1.00 0.64 H new ATOM 0 HA ARG A 96 -5.922 -19.353 3.444 1.00 0.74 H new ATOM 0 HB2 ARG A 96 -6.982 -17.105 5.132 1.00 0.84 H new ATOM 0 HB3 ARG A 96 -6.336 -18.556 5.873 1.00 0.84 H new ATOM 0 HG2 ARG A 96 -4.759 -16.985 3.818 1.00 1.65 H new ATOM 0 HG3 ARG A 96 -4.739 -16.559 5.517 1.00 1.65 H new ATOM 0 HD2 ARG A 96 -4.061 -19.339 4.484 1.00 2.45 H new ATOM 0 HD3 ARG A 96 -2.860 -18.090 4.746 1.00 2.45 H new ATOM 0 HE ARG A 96 -4.433 -18.409 7.131 1.00 2.91 H new ATOM 0 HH11 ARG A 96 -1.966 -20.010 5.182 1.00 4.47 H new ATOM 0 HH12 ARG A 96 -1.271 -20.873 6.558 1.00 4.47 H new ATOM 0 HH21 ARG A 96 -3.531 -19.515 8.899 1.00 4.48 H new ATOM 0 HH22 ARG A 96 -2.153 -20.593 8.654 1.00 4.48 H new ATOM 1548 N LYS A 97 -9.118 -19.104 4.101 1.00 0.83 N ATOM 1549 CA LYS A 97 -10.328 -19.847 4.366 1.00 0.95 C ATOM 1550 C LYS A 97 -10.559 -20.789 3.193 1.00 0.94 C ATOM 1551 O LYS A 97 -11.332 -20.492 2.282 1.00 0.98 O ATOM 1552 CB LYS A 97 -11.503 -18.874 4.507 1.00 1.06 C ATOM 1553 CG LYS A 97 -11.600 -17.898 3.341 1.00 0.99 C ATOM 1554 CD LYS A 97 -12.808 -18.185 2.471 1.00 1.56 C ATOM 1555 CE LYS A 97 -12.486 -17.900 1.021 1.00 1.85 C ATOM 1556 NZ LYS A 97 -13.691 -17.490 0.246 1.00 2.92 N ATOM 0 H LYS A 97 -9.271 -18.123 3.866 1.00 0.83 H new ATOM 0 HA LYS A 97 -10.241 -20.416 5.291 1.00 0.95 H new ATOM 0 HB2 LYS A 97 -12.432 -19.440 4.580 1.00 1.06 H new ATOM 0 HB3 LYS A 97 -11.397 -18.314 5.436 1.00 1.06 H new ATOM 0 HG2 LYS A 97 -11.660 -16.879 3.723 1.00 0.99 H new ATOM 0 HG3 LYS A 97 -10.694 -17.960 2.738 1.00 0.99 H new ATOM 0 HD2 LYS A 97 -13.109 -19.226 2.586 1.00 1.56 H new ATOM 0 HD3 LYS A 97 -13.650 -17.572 2.792 1.00 1.56 H new ATOM 0 HE2 LYS A 97 -11.735 -17.112 0.966 1.00 1.85 H new ATOM 0 HE3 LYS A 97 -12.049 -18.789 0.566 1.00 1.85 H new ATOM 0 HZ1 LYS A 97 -13.444 -17.404 -0.760 1.00 2.92 H new ATOM 0 HZ2 LYS A 97 -14.437 -18.206 0.359 1.00 2.92 H new ATOM 0 HZ3 LYS A 97 -14.035 -16.574 0.598 1.00 2.92 H new ATOM 1570 N LYS A 98 -9.871 -21.923 3.220 1.00 0.97 N ATOM 1571 CA LYS A 98 -9.970 -22.904 2.150 1.00 1.06 C ATOM 1572 C LYS A 98 -10.696 -24.160 2.623 1.00 1.22 C ATOM 1573 O LYS A 98 -11.932 -24.226 2.457 1.00 1.61 O ATOM 1574 CB LYS A 98 -8.568 -23.264 1.643 1.00 1.08 C ATOM 1575 CG LYS A 98 -7.779 -22.079 1.086 1.00 1.07 C ATOM 1576 CD LYS A 98 -8.331 -21.621 -0.253 1.00 1.51 C ATOM 1577 CE LYS A 98 -8.182 -22.696 -1.314 1.00 2.00 C ATOM 1578 NZ LYS A 98 -6.788 -23.218 -1.389 1.00 2.74 N ATOM 1579 OXT LYS A 98 -10.022 -25.066 3.157 1.00 1.70 O ATOM 0 H LYS A 98 -9.237 -22.186 3.974 1.00 0.97 H new ATOM 0 HA LYS A 98 -10.547 -22.467 1.335 1.00 1.06 H new ATOM 0 HB2 LYS A 98 -8.002 -23.711 2.460 1.00 1.08 H new ATOM 0 HB3 LYS A 98 -8.659 -24.023 0.866 1.00 1.08 H new ATOM 0 HG2 LYS A 98 -7.812 -21.253 1.796 1.00 1.07 H new ATOM 0 HG3 LYS A 98 -6.732 -22.359 0.972 1.00 1.07 H new ATOM 0 HD2 LYS A 98 -9.384 -21.360 -0.144 1.00 1.51 H new ATOM 0 HD3 LYS A 98 -7.810 -20.718 -0.573 1.00 1.51 H new ATOM 0 HE2 LYS A 98 -8.865 -23.517 -1.097 1.00 2.00 H new ATOM 0 HE3 LYS A 98 -8.470 -22.290 -2.284 1.00 2.00 H new ATOM 0 HZ1 LYS A 98 -6.578 -23.509 -2.365 1.00 2.74 H new ATOM 0 HZ2 LYS A 98 -6.122 -22.473 -1.099 1.00 2.74 H new ATOM 0 HZ3 LYS A 98 -6.689 -24.036 -0.755 1.00 2.74 H new TER 1593 LYS A 98 ATOM 1594 N MET B 1 18.664 -3.953 -2.567 1.00 0.65 N ATOM 1595 CA MET B 1 18.008 -5.220 -2.989 1.00 0.59 C ATOM 1596 C MET B 1 16.692 -4.939 -3.692 1.00 0.59 C ATOM 1597 O MET B 1 16.337 -3.783 -3.927 1.00 0.60 O ATOM 1598 CB MET B 1 17.751 -6.115 -1.776 1.00 0.58 C ATOM 1599 CG MET B 1 18.867 -7.110 -1.445 1.00 0.60 C ATOM 1600 SD MET B 1 20.529 -6.551 -1.889 1.00 0.94 S ATOM 1601 CE MET B 1 21.529 -7.756 -1.021 1.00 1.18 C ATOM 0 H1 MET B 1 19.643 -4.149 -2.276 1.00 0.65 H new ATOM 0 H2 MET B 1 18.667 -3.282 -3.362 1.00 0.65 H new ATOM 0 H3 MET B 1 18.141 -3.541 -1.768 1.00 0.65 H new ATOM 0 HA MET B 1 18.678 -5.729 -3.682 1.00 0.59 H new ATOM 0 HB2 MET B 1 17.584 -5.480 -0.906 1.00 0.58 H new ATOM 0 HB3 MET B 1 16.829 -6.672 -1.946 1.00 0.58 H new ATOM 0 HG2 MET B 1 18.842 -7.321 -0.376 1.00 0.60 H new ATOM 0 HG3 MET B 1 18.664 -8.049 -1.960 1.00 0.60 H new ATOM 0 HE1 MET B 1 22.584 -7.557 -1.210 1.00 1.18 H new ATOM 0 HE2 MET B 1 21.333 -7.688 0.049 1.00 1.18 H new ATOM 0 HE3 MET B 1 21.280 -8.757 -1.373 1.00 1.18 H new ATOM 1613 N ALA B 2 15.980 -6.001 -4.045 1.00 0.61 N ATOM 1614 CA ALA B 2 14.700 -5.860 -4.718 1.00 0.64 C ATOM 1615 C ALA B 2 13.534 -6.309 -3.846 1.00 0.62 C ATOM 1616 O ALA B 2 13.476 -7.456 -3.407 1.00 0.71 O ATOM 1617 CB ALA B 2 14.702 -6.624 -6.032 1.00 0.72 C ATOM 0 H ALA B 2 16.267 -6.965 -3.876 1.00 0.61 H new ATOM 0 HA ALA B 2 14.561 -4.798 -4.921 1.00 0.64 H new ATOM 0 HB1 ALA B 2 13.736 -6.507 -6.522 1.00 0.72 H new ATOM 0 HB2 ALA B 2 15.487 -6.233 -6.679 1.00 0.72 H new ATOM 0 HB3 ALA B 2 14.885 -7.681 -5.838 1.00 0.72 H new ATOM 1623 N ALA B 3 12.594 -5.401 -3.612 1.00 0.73 N ATOM 1624 CA ALA B 3 11.418 -5.719 -2.822 1.00 0.75 C ATOM 1625 C ALA B 3 10.576 -6.688 -3.619 1.00 0.65 C ATOM 1626 O ALA B 3 9.742 -6.289 -4.433 1.00 0.81 O ATOM 1627 CB ALA B 3 10.634 -4.459 -2.491 1.00 1.04 C ATOM 0 H ALA B 3 12.626 -4.442 -3.958 1.00 0.73 H new ATOM 0 HA ALA B 3 11.710 -6.170 -1.874 1.00 0.75 H new ATOM 0 HB1 ALA B 3 9.757 -4.721 -1.899 1.00 1.04 H new ATOM 0 HB2 ALA B 3 11.265 -3.776 -1.922 1.00 1.04 H new ATOM 0 HB3 ALA B 3 10.316 -3.975 -3.415 1.00 1.04 H new ATOM 1633 N GLU B 4 10.808 -7.968 -3.390 1.00 0.62 N ATOM 1634 CA GLU B 4 10.103 -8.999 -4.115 1.00 0.75 C ATOM 1635 C GLU B 4 8.626 -8.996 -3.755 1.00 0.74 C ATOM 1636 O GLU B 4 7.812 -8.413 -4.471 1.00 0.86 O ATOM 1637 CB GLU B 4 10.735 -10.364 -3.828 1.00 0.97 C ATOM 1638 CG GLU B 4 10.044 -11.521 -4.528 1.00 1.45 C ATOM 1639 CD GLU B 4 9.862 -11.282 -6.015 1.00 2.42 C ATOM 1640 OE1 GLU B 4 10.800 -11.581 -6.785 1.00 3.02 O ATOM 1641 OE2 GLU B 4 8.782 -10.796 -6.410 1.00 3.20 O ATOM 0 H GLU B 4 11.481 -8.314 -2.706 1.00 0.62 H new ATOM 0 HA GLU B 4 10.184 -8.797 -5.183 1.00 0.75 H new ATOM 0 HB2 GLU B 4 11.781 -10.340 -4.133 1.00 0.97 H new ATOM 0 HB3 GLU B 4 10.720 -10.542 -2.753 1.00 0.97 H new ATOM 0 HG2 GLU B 4 10.626 -12.430 -4.379 1.00 1.45 H new ATOM 0 HG3 GLU B 4 9.069 -11.688 -4.069 1.00 1.45 H new ATOM 1648 N THR B 5 8.274 -9.638 -2.653 1.00 0.70 N ATOM 1649 CA THR B 5 6.880 -9.689 -2.245 1.00 0.75 C ATOM 1650 C THR B 5 6.584 -8.903 -0.949 1.00 0.62 C ATOM 1651 O THR B 5 6.538 -7.675 -0.964 1.00 0.79 O ATOM 1652 CB THR B 5 6.410 -11.143 -2.127 1.00 0.92 C ATOM 1653 OG1 THR B 5 6.623 -11.826 -3.366 1.00 1.42 O ATOM 1654 CG2 THR B 5 4.951 -11.209 -1.764 1.00 1.08 C ATOM 0 H THR B 5 8.923 -10.124 -2.034 1.00 0.70 H new ATOM 0 HA THR B 5 6.311 -9.190 -3.029 1.00 0.75 H new ATOM 0 HB THR B 5 6.988 -11.624 -1.338 1.00 0.92 H new ATOM 0 HG1 THR B 5 5.812 -12.319 -3.611 1.00 1.42 H new ATOM 0 HG21 THR B 5 4.642 -12.251 -1.686 1.00 1.08 H new ATOM 0 HG22 THR B 5 4.791 -10.711 -0.808 1.00 1.08 H new ATOM 0 HG23 THR B 5 4.361 -10.712 -2.535 1.00 1.08 H new ATOM 1662 N LEU B 6 6.398 -9.610 0.176 1.00 0.54 N ATOM 1663 CA LEU B 6 6.060 -8.976 1.443 1.00 0.50 C ATOM 1664 C LEU B 6 7.213 -8.211 2.067 1.00 0.49 C ATOM 1665 O LEU B 6 7.925 -8.749 2.912 1.00 0.56 O ATOM 1666 CB LEU B 6 5.627 -10.026 2.464 1.00 0.60 C ATOM 1667 CG LEU B 6 4.307 -10.728 2.203 1.00 0.75 C ATOM 1668 CD1 LEU B 6 4.267 -12.021 2.996 1.00 1.15 C ATOM 1669 CD2 LEU B 6 3.135 -9.850 2.596 1.00 1.07 C ATOM 0 H LEU B 6 6.478 -10.626 0.226 1.00 0.54 H new ATOM 0 HA LEU B 6 5.259 -8.276 1.206 1.00 0.50 H new ATOM 0 HB2 LEU B 6 6.409 -10.783 2.525 1.00 0.60 H new ATOM 0 HB3 LEU B 6 5.570 -9.547 3.441 1.00 0.60 H new ATOM 0 HG LEU B 6 4.228 -10.940 1.137 1.00 0.75 H new ATOM 0 HD11 LEU B 6 3.321 -12.531 2.813 1.00 1.15 H new ATOM 0 HD12 LEU B 6 5.091 -12.663 2.686 1.00 1.15 H new ATOM 0 HD13 LEU B 6 4.360 -11.799 4.059 1.00 1.15 H new ATOM 0 HD21 LEU B 6 2.202 -10.378 2.398 1.00 1.07 H new ATOM 0 HD22 LEU B 6 3.199 -9.612 3.658 1.00 1.07 H new ATOM 0 HD23 LEU B 6 3.160 -8.928 2.015 1.00 1.07 H new ATOM 1681 N THR B 7 7.412 -6.969 1.672 1.00 0.50 N ATOM 1682 CA THR B 7 8.449 -6.180 2.309 1.00 0.53 C ATOM 1683 C THR B 7 7.957 -5.872 3.705 1.00 0.48 C ATOM 1684 O THR B 7 6.786 -6.101 3.991 1.00 0.55 O ATOM 1685 CB THR B 7 8.791 -4.882 1.548 1.00 0.60 C ATOM 1686 OG1 THR B 7 7.861 -4.675 0.479 1.00 0.83 O ATOM 1687 CG2 THR B 7 10.219 -4.924 0.993 1.00 0.80 C ATOM 0 H THR B 7 6.888 -6.495 0.936 1.00 0.50 H new ATOM 0 HA THR B 7 9.379 -6.749 2.319 1.00 0.53 H new ATOM 0 HB THR B 7 8.722 -4.053 2.253 1.00 0.60 H new ATOM 0 HG1 THR B 7 8.087 -3.848 0.004 1.00 0.83 H new ATOM 0 HG21 THR B 7 10.430 -3.996 0.462 1.00 0.80 H new ATOM 0 HG22 THR B 7 10.925 -5.041 1.815 1.00 0.80 H new ATOM 0 HG23 THR B 7 10.318 -5.765 0.307 1.00 0.80 H new ATOM 1695 N GLU B 8 8.819 -5.362 4.582 1.00 0.46 N ATOM 1696 CA GLU B 8 8.404 -5.059 5.961 1.00 0.45 C ATOM 1697 C GLU B 8 7.019 -4.414 5.987 1.00 0.41 C ATOM 1698 O GLU B 8 6.272 -4.538 6.958 1.00 0.42 O ATOM 1699 CB GLU B 8 9.410 -4.142 6.647 1.00 0.50 C ATOM 1700 CG GLU B 8 10.864 -4.459 6.320 1.00 0.52 C ATOM 1701 CD GLU B 8 11.200 -5.926 6.500 1.00 1.09 C ATOM 1702 OE1 GLU B 8 11.516 -6.327 7.640 1.00 1.67 O ATOM 1703 OE2 GLU B 8 11.146 -6.675 5.502 1.00 1.94 O ATOM 0 H GLU B 8 9.795 -5.151 4.373 1.00 0.46 H new ATOM 0 HA GLU B 8 8.363 -6.003 6.504 1.00 0.45 H new ATOM 0 HB2 GLU B 8 9.201 -3.111 6.360 1.00 0.50 H new ATOM 0 HB3 GLU B 8 9.269 -4.208 7.726 1.00 0.50 H new ATOM 0 HG2 GLU B 8 11.072 -4.167 5.291 1.00 0.52 H new ATOM 0 HG3 GLU B 8 11.514 -3.861 6.959 1.00 0.52 H new ATOM 1710 N LEU B 9 6.702 -3.723 4.901 1.00 0.41 N ATOM 1711 CA LEU B 9 5.413 -3.068 4.736 1.00 0.40 C ATOM 1712 C LEU B 9 4.264 -4.007 5.026 1.00 0.38 C ATOM 1713 O LEU B 9 3.195 -3.566 5.444 1.00 0.40 O ATOM 1714 CB LEU B 9 5.304 -2.534 3.314 1.00 0.46 C ATOM 1715 CG LEU B 9 6.578 -1.896 2.743 1.00 0.58 C ATOM 1716 CD1 LEU B 9 6.230 -1.018 1.565 1.00 0.93 C ATOM 1717 CD2 LEU B 9 7.358 -1.097 3.791 1.00 0.93 C ATOM 0 H LEU B 9 7.333 -3.601 4.109 1.00 0.41 H new ATOM 0 HA LEU B 9 5.351 -2.248 5.451 1.00 0.40 H new ATOM 0 HB2 LEU B 9 5.005 -3.353 2.660 1.00 0.46 H new ATOM 0 HB3 LEU B 9 4.504 -1.794 3.284 1.00 0.46 H new ATOM 0 HG LEU B 9 7.228 -2.708 2.417 1.00 0.58 H new ATOM 0 HD11 LEU B 9 7.139 -0.569 1.165 1.00 0.93 H new ATOM 0 HD12 LEU B 9 5.752 -1.619 0.792 1.00 0.93 H new ATOM 0 HD13 LEU B 9 5.548 -0.231 1.887 1.00 0.93 H new ATOM 0 HD21 LEU B 9 8.249 -0.668 3.333 1.00 0.93 H new ATOM 0 HD22 LEU B 9 6.729 -0.296 4.180 1.00 0.93 H new ATOM 0 HD23 LEU B 9 7.652 -1.757 4.607 1.00 0.93 H new ATOM 1729 N GLU B 10 4.478 -5.300 4.843 1.00 0.38 N ATOM 1730 CA GLU B 10 3.423 -6.272 5.103 1.00 0.39 C ATOM 1731 C GLU B 10 2.875 -6.073 6.506 1.00 0.38 C ATOM 1732 O GLU B 10 1.683 -6.236 6.745 1.00 0.40 O ATOM 1733 CB GLU B 10 3.932 -7.696 4.917 1.00 0.45 C ATOM 1734 CG GLU B 10 5.369 -7.874 5.370 1.00 0.45 C ATOM 1735 CD GLU B 10 5.532 -9.015 6.355 1.00 0.55 C ATOM 1736 OE1 GLU B 10 4.726 -9.966 6.301 1.00 1.16 O ATOM 1737 OE2 GLU B 10 6.461 -8.950 7.189 1.00 1.26 O ATOM 0 H GLU B 10 5.359 -5.699 4.520 1.00 0.38 H new ATOM 0 HA GLU B 10 2.619 -6.114 4.384 1.00 0.39 H new ATOM 0 HB2 GLU B 10 3.293 -8.380 5.475 1.00 0.45 H new ATOM 0 HB3 GLU B 10 3.851 -7.971 3.865 1.00 0.45 H new ATOM 0 HG2 GLU B 10 6.000 -8.056 4.500 1.00 0.45 H new ATOM 0 HG3 GLU B 10 5.719 -6.949 5.829 1.00 0.45 H new ATOM 1744 N ALA B 11 3.756 -5.716 7.431 1.00 0.39 N ATOM 1745 CA ALA B 11 3.340 -5.452 8.798 1.00 0.39 C ATOM 1746 C ALA B 11 2.321 -4.328 8.792 1.00 0.36 C ATOM 1747 O ALA B 11 1.402 -4.293 9.610 1.00 0.39 O ATOM 1748 CB ALA B 11 4.541 -5.093 9.660 1.00 0.42 C ATOM 0 H ALA B 11 4.755 -5.604 7.260 1.00 0.39 H new ATOM 0 HA ALA B 11 2.885 -6.347 9.223 1.00 0.39 H new ATOM 0 HB1 ALA B 11 4.211 -4.898 10.681 1.00 0.42 H new ATOM 0 HB2 ALA B 11 5.250 -5.921 9.659 1.00 0.42 H new ATOM 0 HB3 ALA B 11 5.024 -4.202 9.259 1.00 0.42 H new ATOM 1754 N ALA B 12 2.498 -3.409 7.849 1.00 0.33 N ATOM 1755 CA ALA B 12 1.585 -2.290 7.687 1.00 0.32 C ATOM 1756 C ALA B 12 0.253 -2.783 7.138 1.00 0.33 C ATOM 1757 O ALA B 12 -0.786 -2.155 7.341 1.00 0.34 O ATOM 1758 CB ALA B 12 2.187 -1.236 6.770 1.00 0.34 C ATOM 0 H ALA B 12 3.271 -3.420 7.183 1.00 0.33 H new ATOM 0 HA ALA B 12 1.414 -1.832 8.661 1.00 0.32 H new ATOM 0 HB1 ALA B 12 1.488 -0.406 6.661 1.00 0.34 H new ATOM 0 HB2 ALA B 12 3.120 -0.871 7.199 1.00 0.34 H new ATOM 0 HB3 ALA B 12 2.384 -1.675 5.792 1.00 0.34 H new ATOM 1764 N ILE B 13 0.292 -3.917 6.434 1.00 0.36 N ATOM 1765 CA ILE B 13 -0.917 -4.501 5.873 1.00 0.40 C ATOM 1766 C ILE B 13 -1.965 -4.669 6.972 1.00 0.39 C ATOM 1767 O ILE B 13 -3.167 -4.639 6.715 1.00 0.42 O ATOM 1768 CB ILE B 13 -0.618 -5.863 5.169 1.00 0.47 C ATOM 1769 CG1 ILE B 13 -1.522 -6.036 3.944 1.00 0.90 C ATOM 1770 CG2 ILE B 13 -0.770 -7.062 6.109 1.00 0.99 C ATOM 1771 CD1 ILE B 13 -1.285 -4.998 2.875 1.00 2.05 C ATOM 0 H ILE B 13 1.145 -4.442 6.243 1.00 0.36 H new ATOM 0 HA ILE B 13 -1.308 -3.826 5.112 1.00 0.40 H new ATOM 0 HB ILE B 13 0.425 -5.834 4.855 1.00 0.47 H new ATOM 0 HG12 ILE B 13 -1.361 -7.027 3.520 1.00 0.90 H new ATOM 0 HG13 ILE B 13 -2.564 -5.990 4.261 1.00 0.90 H new ATOM 0 HG21 ILE B 13 -0.550 -7.981 5.565 1.00 0.99 H new ATOM 0 HG22 ILE B 13 -0.077 -6.960 6.944 1.00 0.99 H new ATOM 0 HG23 ILE B 13 -1.791 -7.100 6.488 1.00 0.99 H new ATOM 0 HD11 ILE B 13 -1.958 -5.179 2.037 1.00 2.05 H new ATOM 0 HD12 ILE B 13 -1.473 -4.005 3.284 1.00 2.05 H new ATOM 0 HD13 ILE B 13 -0.252 -5.059 2.531 1.00 2.05 H new ATOM 1783 N GLU B 14 -1.477 -4.841 8.201 1.00 0.39 N ATOM 1784 CA GLU B 14 -2.337 -5.020 9.360 1.00 0.42 C ATOM 1785 C GLU B 14 -3.176 -3.778 9.638 1.00 0.38 C ATOM 1786 O GLU B 14 -4.372 -3.886 9.902 1.00 0.46 O ATOM 1787 CB GLU B 14 -1.495 -5.361 10.592 1.00 0.46 C ATOM 1788 CG GLU B 14 -0.668 -6.626 10.433 1.00 0.79 C ATOM 1789 CD GLU B 14 0.180 -6.925 11.654 1.00 1.46 C ATOM 1790 OE1 GLU B 14 -0.315 -7.621 12.565 1.00 2.02 O ATOM 1791 OE2 GLU B 14 1.339 -6.463 11.700 1.00 2.25 O ATOM 0 H GLU B 14 -0.480 -4.859 8.415 1.00 0.39 H new ATOM 0 HA GLU B 14 -3.017 -5.843 9.141 1.00 0.42 H new ATOM 0 HB2 GLU B 14 -0.829 -4.526 10.809 1.00 0.46 H new ATOM 0 HB3 GLU B 14 -2.154 -5.474 11.452 1.00 0.46 H new ATOM 0 HG2 GLU B 14 -1.333 -7.469 10.241 1.00 0.79 H new ATOM 0 HG3 GLU B 14 -0.021 -6.526 9.561 1.00 0.79 H new ATOM 1798 N THR B 15 -2.563 -2.595 9.575 1.00 0.30 N ATOM 1799 CA THR B 15 -3.289 -1.376 9.840 1.00 0.28 C ATOM 1800 C THR B 15 -4.367 -1.167 8.792 1.00 0.28 C ATOM 1801 O THR B 15 -5.543 -1.027 9.104 1.00 0.34 O ATOM 1802 CB THR B 15 -2.364 -0.149 9.847 1.00 0.28 C ATOM 1803 OG1 THR B 15 -1.325 -0.310 10.820 1.00 0.29 O ATOM 1804 CG2 THR B 15 -3.155 1.116 10.151 1.00 0.32 C ATOM 0 H THR B 15 -1.578 -2.467 9.345 1.00 0.30 H new ATOM 0 HA THR B 15 -3.738 -1.480 10.828 1.00 0.28 H new ATOM 0 HB THR B 15 -1.916 -0.058 8.858 1.00 0.28 H new ATOM 0 HG1 THR B 15 -0.492 0.075 10.476 1.00 0.29 H new ATOM 0 HG21 THR B 15 -2.483 1.974 10.152 1.00 0.32 H new ATOM 0 HG22 THR B 15 -3.923 1.257 9.390 1.00 0.32 H new ATOM 0 HG23 THR B 15 -3.627 1.024 11.129 1.00 0.32 H new ATOM 1812 N VAL B 16 -3.932 -1.156 7.547 1.00 0.27 N ATOM 1813 CA VAL B 16 -4.813 -0.975 6.398 1.00 0.28 C ATOM 1814 C VAL B 16 -5.920 -2.016 6.363 1.00 0.30 C ATOM 1815 O VAL B 16 -7.084 -1.683 6.149 1.00 0.36 O ATOM 1816 CB VAL B 16 -3.984 -1.053 5.102 1.00 0.30 C ATOM 1817 CG1 VAL B 16 -3.221 -2.364 5.036 1.00 0.33 C ATOM 1818 CG2 VAL B 16 -4.865 -0.900 3.883 1.00 0.33 C ATOM 0 H VAL B 16 -2.950 -1.273 7.297 1.00 0.27 H new ATOM 0 HA VAL B 16 -5.284 0.004 6.486 1.00 0.28 H new ATOM 0 HB VAL B 16 -3.269 -0.230 5.112 1.00 0.30 H new ATOM 0 HG11 VAL B 16 -2.641 -2.401 4.114 1.00 0.33 H new ATOM 0 HG12 VAL B 16 -2.549 -2.437 5.891 1.00 0.33 H new ATOM 0 HG13 VAL B 16 -3.925 -3.196 5.056 1.00 0.33 H new ATOM 0 HG21 VAL B 16 -4.254 -0.959 2.983 1.00 0.33 H new ATOM 0 HG22 VAL B 16 -5.609 -1.697 3.869 1.00 0.33 H new ATOM 0 HG23 VAL B 16 -5.369 0.066 3.917 1.00 0.33 H new ATOM 1828 N VAL B 17 -5.565 -3.273 6.571 1.00 0.31 N ATOM 1829 CA VAL B 17 -6.556 -4.335 6.555 1.00 0.33 C ATOM 1830 C VAL B 17 -7.440 -4.262 7.793 1.00 0.30 C ATOM 1831 O VAL B 17 -8.644 -4.510 7.728 1.00 0.33 O ATOM 1832 CB VAL B 17 -5.903 -5.728 6.471 1.00 0.43 C ATOM 1833 CG1 VAL B 17 -5.170 -6.067 7.763 1.00 0.45 C ATOM 1834 CG2 VAL B 17 -6.947 -6.786 6.150 1.00 0.50 C ATOM 0 H VAL B 17 -4.609 -3.581 6.751 1.00 0.31 H new ATOM 0 HA VAL B 17 -7.165 -4.190 5.663 1.00 0.33 H new ATOM 0 HB VAL B 17 -5.169 -5.712 5.665 1.00 0.43 H new ATOM 0 HG11 VAL B 17 -4.718 -7.055 7.677 1.00 0.45 H new ATOM 0 HG12 VAL B 17 -4.391 -5.327 7.944 1.00 0.45 H new ATOM 0 HG13 VAL B 17 -5.876 -6.062 8.594 1.00 0.45 H new ATOM 0 HG21 VAL B 17 -6.469 -7.764 6.094 1.00 0.50 H new ATOM 0 HG22 VAL B 17 -7.706 -6.797 6.932 1.00 0.50 H new ATOM 0 HG23 VAL B 17 -7.416 -6.556 5.193 1.00 0.50 H new ATOM 1844 N SER B 18 -6.829 -3.921 8.921 1.00 0.33 N ATOM 1845 CA SER B 18 -7.556 -3.812 10.177 1.00 0.40 C ATOM 1846 C SER B 18 -8.282 -2.473 10.289 1.00 0.44 C ATOM 1847 O SER B 18 -9.092 -2.278 11.192 1.00 0.59 O ATOM 1848 CB SER B 18 -6.605 -3.987 11.362 1.00 0.51 C ATOM 1849 OG SER B 18 -5.943 -5.239 11.305 1.00 1.32 O ATOM 0 H SER B 18 -5.832 -3.716 8.990 1.00 0.33 H new ATOM 0 HA SER B 18 -8.302 -4.606 10.194 1.00 0.40 H new ATOM 0 HB2 SER B 18 -5.869 -3.183 11.363 1.00 0.51 H new ATOM 0 HB3 SER B 18 -7.163 -3.910 12.295 1.00 0.51 H new ATOM 0 HG SER B 18 -5.030 -5.111 10.973 1.00 1.32 H new ATOM 1855 N THR B 19 -7.967 -1.533 9.403 1.00 0.37 N ATOM 1856 CA THR B 19 -8.619 -0.231 9.431 1.00 0.45 C ATOM 1857 C THR B 19 -9.953 -0.225 8.692 1.00 0.46 C ATOM 1858 O THR B 19 -10.985 -0.575 9.267 1.00 0.53 O ATOM 1859 CB THR B 19 -7.715 0.898 8.892 1.00 0.45 C ATOM 1860 OG1 THR B 19 -6.931 0.440 7.781 1.00 0.42 O ATOM 1861 CG2 THR B 19 -6.799 1.424 9.985 1.00 0.49 C ATOM 0 H THR B 19 -7.272 -1.647 8.665 1.00 0.37 H new ATOM 0 HA THR B 19 -8.815 -0.035 10.485 1.00 0.45 H new ATOM 0 HB THR B 19 -8.362 1.707 8.554 1.00 0.45 H new ATOM 0 HG1 THR B 19 -7.416 -0.268 7.308 1.00 0.42 H new ATOM 0 HG21 THR B 19 -6.171 2.219 9.582 1.00 0.49 H new ATOM 0 HG22 THR B 19 -7.400 1.817 10.805 1.00 0.49 H new ATOM 0 HG23 THR B 19 -6.168 0.614 10.352 1.00 0.49 H new ATOM 1869 N PHE B 20 -9.941 0.169 7.418 1.00 0.45 N ATOM 1870 CA PHE B 20 -11.178 0.242 6.655 1.00 0.53 C ATOM 1871 C PHE B 20 -11.605 -1.097 6.130 1.00 0.53 C ATOM 1872 O PHE B 20 -12.781 -1.443 6.169 1.00 0.68 O ATOM 1873 CB PHE B 20 -11.045 1.210 5.498 1.00 0.60 C ATOM 1874 CG PHE B 20 -12.366 1.539 4.889 1.00 0.72 C ATOM 1875 CD1 PHE B 20 -13.385 2.030 5.684 1.00 1.59 C ATOM 1876 CD2 PHE B 20 -12.596 1.352 3.540 1.00 1.26 C ATOM 1877 CE1 PHE B 20 -14.615 2.331 5.148 1.00 1.77 C ATOM 1878 CE2 PHE B 20 -13.830 1.655 2.991 1.00 1.37 C ATOM 1879 CZ PHE B 20 -14.841 2.145 3.802 1.00 1.18 C ATOM 0 H PHE B 20 -9.102 0.437 6.904 1.00 0.45 H new ATOM 0 HA PHE B 20 -11.943 0.597 7.345 1.00 0.53 H new ATOM 0 HB2 PHE B 20 -10.568 2.126 5.845 1.00 0.60 H new ATOM 0 HB3 PHE B 20 -10.393 0.779 4.738 1.00 0.60 H new ATOM 0 HD1 PHE B 20 -13.213 2.179 6.740 1.00 1.59 H new ATOM 0 HD2 PHE B 20 -11.808 0.967 2.910 1.00 1.26 H new ATOM 0 HE1 PHE B 20 -15.402 2.713 5.781 1.00 1.77 H new ATOM 0 HE2 PHE B 20 -14.004 1.510 1.935 1.00 1.37 H new ATOM 0 HZ PHE B 20 -15.806 2.381 3.379 1.00 1.18 H new ATOM 1889 N PHE B 21 -10.656 -1.846 5.627 1.00 0.44 N ATOM 1890 CA PHE B 21 -10.943 -3.155 5.094 1.00 0.47 C ATOM 1891 C PHE B 21 -11.811 -3.967 6.057 1.00 0.49 C ATOM 1892 O PHE B 21 -12.498 -4.899 5.653 1.00 0.63 O ATOM 1893 CB PHE B 21 -9.626 -3.871 4.757 1.00 0.47 C ATOM 1894 CG PHE B 21 -8.768 -3.167 3.735 1.00 0.45 C ATOM 1895 CD1 PHE B 21 -9.168 -1.971 3.166 1.00 1.15 C ATOM 1896 CD2 PHE B 21 -7.542 -3.701 3.360 1.00 1.39 C ATOM 1897 CE1 PHE B 21 -8.372 -1.326 2.247 1.00 1.13 C ATOM 1898 CE2 PHE B 21 -6.740 -3.056 2.440 1.00 1.44 C ATOM 1899 CZ PHE B 21 -7.155 -1.867 1.883 1.00 0.53 C ATOM 0 H PHE B 21 -9.675 -1.571 5.575 1.00 0.44 H new ATOM 0 HA PHE B 21 -11.519 -3.050 4.175 1.00 0.47 H new ATOM 0 HB2 PHE B 21 -9.049 -3.992 5.674 1.00 0.47 H new ATOM 0 HB3 PHE B 21 -9.856 -4.872 4.391 1.00 0.47 H new ATOM 0 HD1 PHE B 21 -10.117 -1.538 3.447 1.00 1.15 H new ATOM 0 HD2 PHE B 21 -7.212 -4.633 3.794 1.00 1.39 H new ATOM 0 HE1 PHE B 21 -8.700 -0.395 1.810 1.00 1.13 H new ATOM 0 HE2 PHE B 21 -5.789 -3.483 2.158 1.00 1.44 H new ATOM 0 HZ PHE B 21 -6.530 -1.359 1.163 1.00 0.53 H new ATOM 1909 N THR B 22 -11.788 -3.606 7.328 1.00 0.48 N ATOM 1910 CA THR B 22 -12.627 -4.273 8.309 1.00 0.54 C ATOM 1911 C THR B 22 -14.100 -4.161 7.921 1.00 0.48 C ATOM 1912 O THR B 22 -14.938 -4.923 8.402 1.00 0.53 O ATOM 1913 CB THR B 22 -12.434 -3.660 9.699 1.00 0.65 C ATOM 1914 OG1 THR B 22 -12.775 -2.268 9.676 1.00 0.66 O ATOM 1915 CG2 THR B 22 -10.999 -3.830 10.142 1.00 0.81 C ATOM 0 H THR B 22 -11.202 -2.860 7.704 1.00 0.48 H new ATOM 0 HA THR B 22 -12.333 -5.322 8.333 1.00 0.54 H new ATOM 0 HB THR B 22 -13.089 -4.172 10.404 1.00 0.65 H new ATOM 0 HG1 THR B 22 -12.166 -1.792 9.074 1.00 0.66 H new ATOM 0 HG21 THR B 22 -10.869 -3.392 11.131 1.00 0.81 H new ATOM 0 HG22 THR B 22 -10.753 -4.891 10.180 1.00 0.81 H new ATOM 0 HG23 THR B 22 -10.338 -3.330 9.434 1.00 0.81 H new ATOM 1923 N PHE B 23 -14.408 -3.205 7.042 1.00 0.49 N ATOM 1924 CA PHE B 23 -15.774 -2.999 6.588 1.00 0.51 C ATOM 1925 C PHE B 23 -16.277 -4.234 5.847 1.00 0.44 C ATOM 1926 O PHE B 23 -17.483 -4.452 5.739 1.00 0.46 O ATOM 1927 CB PHE B 23 -15.856 -1.676 5.787 1.00 0.68 C ATOM 1928 CG PHE B 23 -16.080 -1.733 4.294 1.00 0.61 C ATOM 1929 CD1 PHE B 23 -17.111 -2.454 3.710 1.00 1.48 C ATOM 1930 CD2 PHE B 23 -15.245 -1.004 3.471 1.00 1.46 C ATOM 1931 CE1 PHE B 23 -17.289 -2.450 2.346 1.00 1.88 C ATOM 1932 CE2 PHE B 23 -15.419 -0.995 2.108 1.00 1.93 C ATOM 1933 CZ PHE B 23 -16.443 -1.721 1.546 1.00 1.83 C ATOM 0 H PHE B 23 -13.727 -2.565 6.634 1.00 0.49 H new ATOM 0 HA PHE B 23 -16.454 -2.881 7.432 1.00 0.51 H new ATOM 0 HB2 PHE B 23 -16.661 -1.081 6.217 1.00 0.68 H new ATOM 0 HB3 PHE B 23 -14.929 -1.130 5.959 1.00 0.68 H new ATOM 0 HD1 PHE B 23 -17.782 -3.026 4.334 1.00 1.48 H new ATOM 0 HD2 PHE B 23 -14.440 -0.430 3.906 1.00 1.46 H new ATOM 0 HE1 PHE B 23 -18.093 -3.020 1.904 1.00 1.88 H new ATOM 0 HE2 PHE B 23 -14.754 -0.420 1.480 1.00 1.93 H new ATOM 0 HZ PHE B 23 -16.582 -1.718 0.475 1.00 1.83 H new ATOM 1943 N ALA B 24 -15.341 -5.089 5.414 1.00 0.51 N ATOM 1944 CA ALA B 24 -15.684 -6.342 4.720 1.00 0.59 C ATOM 1945 C ALA B 24 -16.902 -7.000 5.355 1.00 0.61 C ATOM 1946 O ALA B 24 -17.808 -7.474 4.669 1.00 0.67 O ATOM 1947 CB ALA B 24 -14.510 -7.307 4.778 1.00 0.71 C ATOM 0 H ALA B 24 -14.339 -4.938 5.531 1.00 0.51 H new ATOM 0 HA ALA B 24 -15.914 -6.100 3.682 1.00 0.59 H new ATOM 0 HB1 ALA B 24 -14.773 -8.231 4.262 1.00 0.71 H new ATOM 0 HB2 ALA B 24 -13.644 -6.855 4.295 1.00 0.71 H new ATOM 0 HB3 ALA B 24 -14.271 -7.527 5.818 1.00 0.71 H new ATOM 1953 N GLY B 25 -16.897 -7.018 6.681 1.00 0.71 N ATOM 1954 CA GLY B 25 -17.997 -7.584 7.443 1.00 0.85 C ATOM 1955 C GLY B 25 -19.365 -7.292 6.844 1.00 0.74 C ATOM 1956 O GLY B 25 -20.299 -8.069 7.039 1.00 0.82 O ATOM 0 H GLY B 25 -16.139 -6.645 7.252 1.00 0.71 H new ATOM 0 HA2 GLY B 25 -17.863 -8.663 7.512 1.00 0.85 H new ATOM 0 HA3 GLY B 25 -17.963 -7.192 8.460 1.00 0.85 H new ATOM 1960 N ARG B 26 -19.499 -6.172 6.118 1.00 0.61 N ATOM 1961 CA ARG B 26 -20.776 -5.827 5.478 1.00 0.59 C ATOM 1962 C ARG B 26 -21.367 -7.055 4.808 1.00 0.58 C ATOM 1963 O ARG B 26 -22.561 -7.333 4.908 1.00 0.72 O ATOM 1964 CB ARG B 26 -20.582 -4.731 4.432 1.00 0.61 C ATOM 1965 CG ARG B 26 -20.724 -3.329 4.976 1.00 1.18 C ATOM 1966 CD ARG B 26 -22.179 -2.975 5.163 1.00 0.96 C ATOM 1967 NE ARG B 26 -22.730 -3.534 6.395 1.00 1.55 N ATOM 1968 CZ ARG B 26 -24.030 -3.622 6.648 1.00 1.95 C ATOM 1969 NH1 ARG B 26 -24.912 -3.186 5.760 1.00 2.01 N ATOM 1970 NH2 ARG B 26 -24.450 -4.145 7.792 1.00 2.82 N ATOM 0 H ARG B 26 -18.750 -5.498 5.961 1.00 0.61 H new ATOM 0 HA ARG B 26 -21.454 -5.463 6.250 1.00 0.59 H new ATOM 0 HB2 ARG B 26 -19.593 -4.839 3.988 1.00 0.61 H new ATOM 0 HB3 ARG B 26 -21.308 -4.874 3.632 1.00 0.61 H new ATOM 0 HG2 ARG B 26 -20.199 -3.248 5.928 1.00 1.18 H new ATOM 0 HG3 ARG B 26 -20.257 -2.619 4.293 1.00 1.18 H new ATOM 0 HD2 ARG B 26 -22.288 -1.891 5.178 1.00 0.96 H new ATOM 0 HD3 ARG B 26 -22.752 -3.342 4.312 1.00 0.96 H new ATOM 0 HE ARG B 26 -22.078 -3.876 7.101 1.00 1.55 H new ATOM 0 HH11 ARG B 26 -24.592 -2.782 4.880 1.00 2.01 H new ATOM 0 HH12 ARG B 26 -25.910 -3.255 5.957 1.00 2.01 H new ATOM 0 HH21 ARG B 26 -23.774 -4.480 8.478 1.00 2.82 H new ATOM 0 HH22 ARG B 26 -25.449 -4.212 7.986 1.00 2.82 H new ATOM 1984 N GLU B 27 -20.499 -7.779 4.122 1.00 0.50 N ATOM 1985 CA GLU B 27 -20.895 -9.014 3.451 1.00 0.57 C ATOM 1986 C GLU B 27 -20.832 -10.189 4.428 1.00 0.80 C ATOM 1987 O GLU B 27 -19.787 -10.471 5.013 1.00 1.26 O ATOM 1988 CB GLU B 27 -19.981 -9.290 2.257 1.00 0.97 C ATOM 1989 CG GLU B 27 -19.900 -8.136 1.273 1.00 0.85 C ATOM 1990 CD GLU B 27 -21.252 -7.765 0.700 1.00 1.10 C ATOM 1991 OE1 GLU B 27 -21.633 -8.339 -0.341 1.00 1.63 O ATOM 1992 OE2 GLU B 27 -21.931 -6.900 1.294 1.00 1.79 O ATOM 0 H GLU B 27 -19.514 -7.536 4.013 1.00 0.50 H new ATOM 0 HA GLU B 27 -21.918 -8.898 3.094 1.00 0.57 H new ATOM 0 HB2 GLU B 27 -18.979 -9.516 2.622 1.00 0.97 H new ATOM 0 HB3 GLU B 27 -20.338 -10.178 1.735 1.00 0.97 H new ATOM 0 HG2 GLU B 27 -19.470 -7.267 1.772 1.00 0.85 H new ATOM 0 HG3 GLU B 27 -19.225 -8.403 0.460 1.00 0.85 H new ATOM 1999 N GLY B 28 -21.967 -10.869 4.593 1.00 1.32 N ATOM 2000 CA GLY B 28 -22.054 -11.996 5.512 1.00 1.87 C ATOM 2001 C GLY B 28 -20.828 -12.884 5.516 1.00 1.35 C ATOM 2002 O GLY B 28 -19.931 -12.710 6.341 1.00 1.58 O ATOM 0 H GLY B 28 -22.835 -10.657 4.102 1.00 1.32 H new ATOM 0 HA2 GLY B 28 -22.219 -11.617 6.521 1.00 1.87 H new ATOM 0 HA3 GLY B 28 -22.925 -12.598 5.251 1.00 1.87 H new ATOM 2006 N ARG B 29 -20.791 -13.844 4.598 1.00 1.15 N ATOM 2007 CA ARG B 29 -19.674 -14.779 4.508 1.00 1.06 C ATOM 2008 C ARG B 29 -18.333 -14.067 4.678 1.00 1.14 C ATOM 2009 O ARG B 29 -18.255 -12.842 4.592 1.00 1.74 O ATOM 2010 CB ARG B 29 -19.703 -15.518 3.165 1.00 1.38 C ATOM 2011 CG ARG B 29 -18.608 -16.566 3.012 1.00 1.76 C ATOM 2012 CD ARG B 29 -18.740 -17.322 1.700 1.00 2.36 C ATOM 2013 NE ARG B 29 -17.740 -18.380 1.578 1.00 2.88 N ATOM 2014 CZ ARG B 29 -17.585 -19.124 0.487 1.00 3.58 C ATOM 2015 NH1 ARG B 29 -18.362 -18.929 -0.569 1.00 3.91 N ATOM 2016 NH2 ARG B 29 -16.652 -20.066 0.452 1.00 4.30 N ATOM 0 H ARG B 29 -21.523 -13.996 3.904 1.00 1.15 H new ATOM 0 HA ARG B 29 -19.782 -15.499 5.319 1.00 1.06 H new ATOM 0 HB2 ARG B 29 -20.673 -16.001 3.048 1.00 1.38 H new ATOM 0 HB3 ARG B 29 -19.610 -14.790 2.359 1.00 1.38 H new ATOM 0 HG2 ARG B 29 -17.632 -16.083 3.058 1.00 1.76 H new ATOM 0 HG3 ARG B 29 -18.656 -17.268 3.844 1.00 1.76 H new ATOM 0 HD2 ARG B 29 -19.738 -17.756 1.630 1.00 2.36 H new ATOM 0 HD3 ARG B 29 -18.635 -16.626 0.868 1.00 2.36 H new ATOM 0 HE ARG B 29 -17.127 -18.558 2.374 1.00 2.88 H new ATOM 0 HH11 ARG B 29 -19.082 -18.206 -0.546 1.00 3.91 H new ATOM 0 HH12 ARG B 29 -18.240 -19.502 -1.404 1.00 3.91 H new ATOM 0 HH21 ARG B 29 -16.052 -20.220 1.263 1.00 4.30 H new ATOM 0 HH22 ARG B 29 -16.534 -20.636 -0.386 1.00 4.30 H new ATOM 2030 N LYS B 30 -17.285 -14.843 4.918 1.00 1.05 N ATOM 2031 CA LYS B 30 -15.949 -14.289 5.091 1.00 1.49 C ATOM 2032 C LYS B 30 -15.174 -14.405 3.789 1.00 1.34 C ATOM 2033 O LYS B 30 -14.086 -14.981 3.747 1.00 1.66 O ATOM 2034 CB LYS B 30 -15.195 -15.041 6.185 1.00 2.04 C ATOM 2035 CG LYS B 30 -16.055 -15.389 7.389 1.00 2.66 C ATOM 2036 CD LYS B 30 -16.550 -14.137 8.097 1.00 3.51 C ATOM 2037 CE LYS B 30 -15.392 -13.286 8.596 1.00 4.01 C ATOM 2038 NZ LYS B 30 -14.520 -14.036 9.540 1.00 4.78 N ATOM 0 H LYS B 30 -17.334 -15.859 4.997 1.00 1.05 H new ATOM 0 HA LYS B 30 -16.045 -13.241 5.377 1.00 1.49 H new ATOM 0 HB2 LYS B 30 -14.784 -15.959 5.766 1.00 2.04 H new ATOM 0 HB3 LYS B 30 -14.351 -14.435 6.515 1.00 2.04 H new ATOM 0 HG2 LYS B 30 -16.907 -15.989 7.069 1.00 2.66 H new ATOM 0 HG3 LYS B 30 -15.480 -15.999 8.085 1.00 2.66 H new ATOM 0 HD2 LYS B 30 -17.166 -13.551 7.415 1.00 3.51 H new ATOM 0 HD3 LYS B 30 -17.184 -14.419 8.937 1.00 3.51 H new ATOM 0 HE2 LYS B 30 -14.799 -12.945 7.747 1.00 4.01 H new ATOM 0 HE3 LYS B 30 -15.782 -12.396 9.090 1.00 4.01 H new ATOM 0 HZ1 LYS B 30 -13.870 -13.375 10.011 1.00 4.78 H new ATOM 0 HZ2 LYS B 30 -15.109 -14.511 10.254 1.00 4.78 H new ATOM 0 HZ3 LYS B 30 -13.971 -14.747 9.015 1.00 4.78 H new ATOM 2052 N GLY B 31 -15.751 -13.868 2.726 1.00 0.96 N ATOM 2053 CA GLY B 31 -15.098 -13.894 1.434 1.00 0.88 C ATOM 2054 C GLY B 31 -14.413 -12.601 1.186 1.00 0.81 C ATOM 2055 O GLY B 31 -13.209 -12.515 1.306 1.00 0.85 O ATOM 0 H GLY B 31 -16.664 -13.413 2.735 1.00 0.96 H new ATOM 0 HA2 GLY B 31 -14.376 -14.710 1.398 1.00 0.88 H new ATOM 0 HA3 GLY B 31 -15.832 -14.083 0.650 1.00 0.88 H new ATOM 2059 N SER B 32 -15.150 -11.585 0.826 1.00 0.74 N ATOM 2060 CA SER B 32 -14.519 -10.309 0.602 1.00 0.71 C ATOM 2061 C SER B 32 -15.371 -9.139 1.023 1.00 0.70 C ATOM 2062 O SER B 32 -16.511 -9.277 1.465 1.00 0.75 O ATOM 2063 CB SER B 32 -14.114 -10.173 -0.849 1.00 0.69 C ATOM 2064 OG SER B 32 -15.237 -10.301 -1.704 1.00 1.09 O ATOM 0 H SER B 32 -16.160 -11.610 0.684 1.00 0.74 H new ATOM 0 HA SER B 32 -13.632 -10.286 1.235 1.00 0.71 H new ATOM 0 HB2 SER B 32 -13.639 -9.205 -1.009 1.00 0.69 H new ATOM 0 HB3 SER B 32 -13.375 -10.935 -1.097 1.00 0.69 H new ATOM 0 HG SER B 32 -15.162 -9.659 -2.440 1.00 1.09 H new ATOM 2070 N LEU B 33 -14.769 -7.984 0.867 1.00 0.72 N ATOM 2071 CA LEU B 33 -15.392 -6.719 1.167 1.00 0.74 C ATOM 2072 C LEU B 33 -15.921 -6.153 -0.124 1.00 0.57 C ATOM 2073 O LEU B 33 -15.411 -6.508 -1.185 1.00 0.53 O ATOM 2074 CB LEU B 33 -14.361 -5.796 1.767 1.00 1.00 C ATOM 2075 CG LEU B 33 -14.699 -4.314 1.789 1.00 1.19 C ATOM 2076 CD1 LEU B 33 -14.134 -3.684 3.045 1.00 1.93 C ATOM 2077 CD2 LEU B 33 -14.139 -3.623 0.558 1.00 1.69 C ATOM 0 H LEU B 33 -13.813 -7.897 0.521 1.00 0.72 H new ATOM 0 HA LEU B 33 -16.208 -6.837 1.880 1.00 0.74 H new ATOM 0 HB2 LEU B 33 -14.173 -6.117 2.792 1.00 1.00 H new ATOM 0 HB3 LEU B 33 -13.429 -5.924 1.217 1.00 1.00 H new ATOM 0 HG LEU B 33 -15.783 -4.197 1.784 1.00 1.19 H new ATOM 0 HD11 LEU B 33 -14.377 -2.621 3.060 1.00 1.93 H new ATOM 0 HD12 LEU B 33 -14.567 -4.167 3.921 1.00 1.93 H new ATOM 0 HD13 LEU B 33 -13.051 -3.809 3.059 1.00 1.93 H new ATOM 0 HD21 LEU B 33 -14.390 -2.563 0.590 1.00 1.69 H new ATOM 0 HD22 LEU B 33 -13.055 -3.739 0.537 1.00 1.69 H new ATOM 0 HD23 LEU B 33 -14.569 -4.071 -0.338 1.00 1.69 H new ATOM 2089 N ASN B 34 -16.945 -5.309 -0.084 1.00 0.57 N ATOM 2090 CA ASN B 34 -17.482 -4.810 -1.313 1.00 0.47 C ATOM 2091 C ASN B 34 -17.467 -3.287 -1.347 1.00 0.41 C ATOM 2092 O ASN B 34 -16.403 -2.682 -1.331 1.00 0.56 O ATOM 2093 CB ASN B 34 -18.877 -5.415 -1.506 1.00 0.56 C ATOM 2094 CG ASN B 34 -19.401 -5.257 -2.916 1.00 1.38 C ATOM 2095 OD1 ASN B 34 -20.096 -4.294 -3.230 1.00 2.13 O ATOM 2096 ND2 ASN B 34 -19.067 -6.210 -3.778 1.00 2.12 N ATOM 0 H ASN B 34 -17.399 -4.973 0.765 1.00 0.57 H new ATOM 0 HA ASN B 34 -16.860 -5.114 -2.155 1.00 0.47 H new ATOM 0 HB2 ASN B 34 -18.845 -6.475 -1.253 1.00 0.56 H new ATOM 0 HB3 ASN B 34 -19.571 -4.942 -0.811 1.00 0.56 H new ATOM 0 HD21 ASN B 34 -19.390 -6.160 -4.744 1.00 2.12 H new ATOM 0 HD22 ASN B 34 -18.488 -6.992 -3.474 1.00 2.12 H new ATOM 2103 N ILE B 35 -18.617 -2.661 -1.452 1.00 0.53 N ATOM 2104 CA ILE B 35 -18.659 -1.211 -1.456 1.00 0.54 C ATOM 2105 C ILE B 35 -19.843 -0.671 -0.678 1.00 0.56 C ATOM 2106 O ILE B 35 -20.444 0.325 -1.066 1.00 0.63 O ATOM 2107 CB ILE B 35 -18.668 -0.616 -2.871 1.00 0.60 C ATOM 2108 CG1 ILE B 35 -19.441 -1.529 -3.815 1.00 0.70 C ATOM 2109 CG2 ILE B 35 -17.245 -0.382 -3.360 1.00 0.66 C ATOM 2110 CD1 ILE B 35 -20.861 -1.759 -3.378 1.00 1.04 C ATOM 0 H ILE B 35 -19.524 -3.121 -1.535 1.00 0.53 H new ATOM 0 HA ILE B 35 -17.738 -0.900 -0.963 1.00 0.54 H new ATOM 0 HB ILE B 35 -19.171 0.351 -2.849 1.00 0.60 H new ATOM 0 HG12 ILE B 35 -19.440 -1.094 -4.814 1.00 0.70 H new ATOM 0 HG13 ILE B 35 -18.928 -2.488 -3.885 1.00 0.70 H new ATOM 0 HG21 ILE B 35 -17.270 0.040 -4.365 1.00 0.66 H new ATOM 0 HG22 ILE B 35 -16.739 0.311 -2.688 1.00 0.66 H new ATOM 0 HG23 ILE B 35 -16.706 -1.329 -3.378 1.00 0.66 H new ATOM 0 HD11 ILE B 35 -21.359 -2.417 -4.090 1.00 1.04 H new ATOM 0 HD12 ILE B 35 -20.868 -2.222 -2.391 1.00 1.04 H new ATOM 0 HD13 ILE B 35 -21.387 -0.806 -3.335 1.00 1.04 H new ATOM 2122 N ASN B 36 -20.194 -1.340 0.404 1.00 0.59 N ATOM 2123 CA ASN B 36 -21.279 -0.873 1.243 1.00 0.63 C ATOM 2124 C ASN B 36 -20.736 0.202 2.150 1.00 0.59 C ATOM 2125 O ASN B 36 -21.151 1.357 2.068 1.00 0.59 O ATOM 2126 CB ASN B 36 -21.905 -2.010 2.044 1.00 0.70 C ATOM 2127 CG ASN B 36 -22.646 -2.998 1.168 1.00 1.34 C ATOM 2128 OD1 ASN B 36 -22.070 -3.973 0.684 1.00 2.16 O ATOM 2129 ND2 ASN B 36 -23.935 -2.753 0.958 1.00 1.90 N ATOM 0 H ASN B 36 -19.748 -2.201 0.720 1.00 0.59 H new ATOM 0 HA ASN B 36 -22.076 -0.468 0.619 1.00 0.63 H new ATOM 0 HB2 ASN B 36 -21.125 -2.533 2.596 1.00 0.70 H new ATOM 0 HB3 ASN B 36 -22.593 -1.595 2.780 1.00 0.70 H new ATOM 0 HD21 ASN B 36 -24.486 -3.385 0.377 1.00 1.90 H new ATOM 0 HD22 ASN B 36 -24.373 -1.933 1.378 1.00 1.90 H new ATOM 2136 N GLU B 37 -19.808 -0.165 3.027 1.00 0.58 N ATOM 2137 CA GLU B 37 -19.209 0.856 3.870 1.00 0.56 C ATOM 2138 C GLU B 37 -18.242 1.689 3.055 1.00 0.50 C ATOM 2139 O GLU B 37 -17.920 2.808 3.439 1.00 0.53 O ATOM 2140 CB GLU B 37 -18.521 0.289 5.097 1.00 0.68 C ATOM 2141 CG GLU B 37 -19.231 -0.915 5.663 1.00 0.76 C ATOM 2142 CD GLU B 37 -19.000 -1.091 7.150 1.00 0.77 C ATOM 2143 OE1 GLU B 37 -19.418 -0.204 7.924 1.00 1.28 O ATOM 2144 OE2 GLU B 37 -18.408 -2.117 7.541 1.00 1.41 O ATOM 0 H GLU B 37 -19.468 -1.116 3.169 1.00 0.58 H new ATOM 0 HA GLU B 37 -20.020 1.484 4.239 1.00 0.56 H new ATOM 0 HB2 GLU B 37 -17.498 0.014 4.839 1.00 0.68 H new ATOM 0 HB3 GLU B 37 -18.460 1.062 5.863 1.00 0.68 H new ATOM 0 HG2 GLU B 37 -20.301 -0.821 5.475 1.00 0.76 H new ATOM 0 HG3 GLU B 37 -18.893 -1.809 5.140 1.00 0.76 H new ATOM 2151 N PHE B 38 -17.761 1.147 1.924 1.00 0.47 N ATOM 2152 CA PHE B 38 -16.888 1.907 1.049 1.00 0.43 C ATOM 2153 C PHE B 38 -17.561 3.241 0.762 1.00 0.45 C ATOM 2154 O PHE B 38 -16.912 4.262 0.615 1.00 0.46 O ATOM 2155 CB PHE B 38 -16.647 1.150 -0.255 1.00 0.43 C ATOM 2156 CG PHE B 38 -15.462 1.628 -1.031 1.00 0.41 C ATOM 2157 CD1 PHE B 38 -15.413 2.918 -1.514 1.00 1.30 C ATOM 2158 CD2 PHE B 38 -14.394 0.782 -1.270 1.00 1.21 C ATOM 2159 CE1 PHE B 38 -14.319 3.362 -2.225 1.00 1.32 C ATOM 2160 CE2 PHE B 38 -13.295 1.217 -1.984 1.00 1.21 C ATOM 2161 CZ PHE B 38 -13.256 2.511 -2.460 1.00 0.46 C ATOM 0 H PHE B 38 -17.965 0.199 1.607 1.00 0.47 H new ATOM 0 HA PHE B 38 -15.922 2.063 1.528 1.00 0.43 H new ATOM 0 HB2 PHE B 38 -16.516 0.092 -0.029 1.00 0.43 H new ATOM 0 HB3 PHE B 38 -17.535 1.235 -0.881 1.00 0.43 H new ATOM 0 HD1 PHE B 38 -16.241 3.588 -1.333 1.00 1.30 H new ATOM 0 HD2 PHE B 38 -14.420 -0.230 -0.894 1.00 1.21 H new ATOM 0 HE1 PHE B 38 -14.293 4.375 -2.598 1.00 1.32 H new ATOM 0 HE2 PHE B 38 -12.469 0.546 -2.169 1.00 1.21 H new ATOM 0 HZ PHE B 38 -12.397 2.858 -3.015 1.00 0.46 H new ATOM 2171 N LYS B 39 -18.897 3.206 0.745 1.00 0.49 N ATOM 2172 CA LYS B 39 -19.706 4.403 0.512 1.00 0.53 C ATOM 2173 C LYS B 39 -19.456 5.440 1.598 1.00 0.54 C ATOM 2174 O LYS B 39 -19.927 6.575 1.521 1.00 0.58 O ATOM 2175 CB LYS B 39 -21.180 4.031 0.456 1.00 0.62 C ATOM 2176 CG LYS B 39 -21.431 2.813 -0.399 1.00 0.68 C ATOM 2177 CD LYS B 39 -22.222 3.146 -1.651 1.00 0.70 C ATOM 2178 CE LYS B 39 -23.598 3.698 -1.315 1.00 1.49 C ATOM 2179 NZ LYS B 39 -24.409 2.724 -0.537 1.00 1.82 N ATOM 0 H LYS B 39 -19.442 2.356 0.891 1.00 0.49 H new ATOM 0 HA LYS B 39 -19.418 4.839 -0.444 1.00 0.53 H new ATOM 0 HB2 LYS B 39 -21.544 3.844 1.466 1.00 0.62 H new ATOM 0 HB3 LYS B 39 -21.750 4.872 0.062 1.00 0.62 H new ATOM 0 HG2 LYS B 39 -20.478 2.366 -0.681 1.00 0.68 H new ATOM 0 HG3 LYS B 39 -21.972 2.067 0.183 1.00 0.68 H new ATOM 0 HD2 LYS B 39 -21.672 3.876 -2.246 1.00 0.70 H new ATOM 0 HD3 LYS B 39 -22.328 2.251 -2.263 1.00 0.70 H new ATOM 0 HE2 LYS B 39 -23.490 4.620 -0.743 1.00 1.49 H new ATOM 0 HE3 LYS B 39 -24.122 3.954 -2.236 1.00 1.49 H new ATOM 0 HZ1 LYS B 39 -25.401 3.037 -0.516 1.00 1.82 H new ATOM 0 HZ2 LYS B 39 -24.351 1.787 -0.985 1.00 1.82 H new ATOM 0 HZ3 LYS B 39 -24.044 2.666 0.435 1.00 1.82 H new ATOM 2193 N GLU B 40 -18.800 5.023 2.656 1.00 0.53 N ATOM 2194 CA GLU B 40 -18.413 5.938 3.697 1.00 0.57 C ATOM 2195 C GLU B 40 -17.076 6.602 3.314 1.00 0.55 C ATOM 2196 O GLU B 40 -16.566 7.448 4.047 1.00 0.61 O ATOM 2197 CB GLU B 40 -18.310 5.197 5.044 1.00 0.61 C ATOM 2198 CG GLU B 40 -16.986 4.482 5.287 1.00 1.09 C ATOM 2199 CD GLU B 40 -16.277 4.985 6.530 1.00 1.91 C ATOM 2200 OE1 GLU B 40 -15.495 5.952 6.418 1.00 2.62 O ATOM 2201 OE2 GLU B 40 -16.504 4.410 7.615 1.00 2.42 O ATOM 0 H GLU B 40 -18.524 4.054 2.816 1.00 0.53 H new ATOM 0 HA GLU B 40 -19.168 6.716 3.808 1.00 0.57 H new ATOM 0 HB2 GLU B 40 -18.471 5.914 5.849 1.00 0.61 H new ATOM 0 HB3 GLU B 40 -19.116 4.466 5.102 1.00 0.61 H new ATOM 0 HG2 GLU B 40 -17.167 3.411 5.383 1.00 1.09 H new ATOM 0 HG3 GLU B 40 -16.338 4.619 4.422 1.00 1.09 H new ATOM 2208 N LEU B 41 -16.513 6.210 2.147 1.00 0.50 N ATOM 2209 CA LEU B 41 -15.227 6.716 1.710 1.00 0.50 C ATOM 2210 C LEU B 41 -15.327 8.056 1.032 1.00 0.55 C ATOM 2211 O LEU B 41 -15.381 9.061 1.702 1.00 0.63 O ATOM 2212 CB LEU B 41 -14.528 5.714 0.787 1.00 0.46 C ATOM 2213 CG LEU B 41 -14.183 4.387 1.429 1.00 0.44 C ATOM 2214 CD1 LEU B 41 -13.188 3.613 0.576 1.00 0.55 C ATOM 2215 CD2 LEU B 41 -13.628 4.600 2.834 1.00 0.66 C ATOM 0 H LEU B 41 -16.943 5.545 1.504 1.00 0.50 H new ATOM 0 HA LEU B 41 -14.630 6.852 2.612 1.00 0.50 H new ATOM 0 HB2 LEU B 41 -15.169 5.528 -0.075 1.00 0.46 H new ATOM 0 HB3 LEU B 41 -13.611 6.168 0.410 1.00 0.46 H new ATOM 0 HG LEU B 41 -15.098 3.799 1.503 1.00 0.44 H new ATOM 0 HD11 LEU B 41 -12.956 2.664 1.059 1.00 0.55 H new ATOM 0 HD12 LEU B 41 -13.620 3.425 -0.407 1.00 0.55 H new ATOM 0 HD13 LEU B 41 -12.274 4.196 0.464 1.00 0.55 H new ATOM 0 HD21 LEU B 41 -13.386 3.635 3.280 1.00 0.66 H new ATOM 0 HD22 LEU B 41 -12.727 5.211 2.781 1.00 0.66 H new ATOM 0 HD23 LEU B 41 -14.374 5.106 3.447 1.00 0.66 H new ATOM 2227 N ALA B 42 -15.419 8.052 -0.300 1.00 0.55 N ATOM 2228 CA ALA B 42 -15.437 9.290 -1.085 1.00 0.62 C ATOM 2229 C ALA B 42 -16.216 10.382 -0.386 1.00 0.68 C ATOM 2230 O ALA B 42 -15.874 11.553 -0.451 1.00 0.76 O ATOM 2231 CB ALA B 42 -16.023 9.029 -2.440 1.00 0.65 C ATOM 0 H ALA B 42 -15.482 7.202 -0.860 1.00 0.55 H new ATOM 0 HA ALA B 42 -14.408 9.632 -1.193 1.00 0.62 H new ATOM 0 HB1 ALA B 42 -16.033 9.954 -3.017 1.00 0.65 H new ATOM 0 HB2 ALA B 42 -15.421 8.284 -2.960 1.00 0.65 H new ATOM 0 HB3 ALA B 42 -17.042 8.659 -2.330 1.00 0.65 H new ATOM 2237 N THR B 43 -17.250 9.966 0.302 1.00 0.65 N ATOM 2238 CA THR B 43 -18.088 10.873 1.060 1.00 0.73 C ATOM 2239 C THR B 43 -17.268 11.615 2.120 1.00 0.78 C ATOM 2240 O THR B 43 -17.088 12.830 2.053 1.00 0.85 O ATOM 2241 CB THR B 43 -19.232 10.102 1.740 1.00 0.73 C ATOM 2242 OG1 THR B 43 -18.765 8.815 2.188 1.00 0.66 O ATOM 2243 CG2 THR B 43 -20.391 9.922 0.778 1.00 0.76 C ATOM 0 H THR B 43 -17.538 8.989 0.355 1.00 0.65 H new ATOM 0 HA THR B 43 -18.508 11.602 0.367 1.00 0.73 H new ATOM 0 HB THR B 43 -19.574 10.677 2.601 1.00 0.73 H new ATOM 0 HG1 THR B 43 -19.343 8.112 1.824 1.00 0.66 H new ATOM 0 HG21 THR B 43 -21.193 9.375 1.273 1.00 0.76 H new ATOM 0 HG22 THR B 43 -20.758 10.899 0.464 1.00 0.76 H new ATOM 0 HG23 THR B 43 -20.055 9.363 -0.095 1.00 0.76 H new ATOM 2251 N GLN B 44 -16.786 10.860 3.099 1.00 0.76 N ATOM 2252 CA GLN B 44 -15.956 11.389 4.189 1.00 0.84 C ATOM 2253 C GLN B 44 -14.528 11.614 3.713 1.00 0.83 C ATOM 2254 O GLN B 44 -13.770 12.393 4.292 1.00 0.92 O ATOM 2255 CB GLN B 44 -15.980 10.375 5.327 1.00 0.87 C ATOM 2256 CG GLN B 44 -17.387 9.948 5.705 1.00 1.54 C ATOM 2257 CD GLN B 44 -18.236 11.109 6.191 1.00 2.04 C ATOM 2258 OE1 GLN B 44 -18.924 11.759 5.406 1.00 2.53 O ATOM 2259 NE2 GLN B 44 -18.186 11.378 7.492 1.00 2.74 N ATOM 0 H GLN B 44 -16.957 9.857 3.165 1.00 0.76 H new ATOM 0 HA GLN B 44 -16.347 12.349 4.526 1.00 0.84 H new ATOM 0 HB2 GLN B 44 -15.404 9.496 5.037 1.00 0.87 H new ATOM 0 HB3 GLN B 44 -15.488 10.804 6.200 1.00 0.87 H new ATOM 0 HG2 GLN B 44 -17.867 9.487 4.842 1.00 1.54 H new ATOM 0 HG3 GLN B 44 -17.336 9.188 6.485 1.00 1.54 H new ATOM 0 HE21 GLN B 44 -17.601 10.813 8.108 1.00 2.74 H new ATOM 0 HE22 GLN B 44 -18.732 12.150 7.875 1.00 2.74 H new ATOM 2268 N GLN B 45 -14.179 10.895 2.669 1.00 0.79 N ATOM 2269 CA GLN B 45 -12.893 10.985 2.031 1.00 0.82 C ATOM 2270 C GLN B 45 -12.808 12.292 1.279 1.00 0.78 C ATOM 2271 O GLN B 45 -11.795 12.979 1.334 1.00 0.79 O ATOM 2272 CB GLN B 45 -12.761 9.842 1.047 1.00 0.93 C ATOM 2273 CG GLN B 45 -12.458 8.524 1.705 1.00 0.95 C ATOM 2274 CD GLN B 45 -10.983 8.258 1.708 1.00 1.37 C ATOM 2275 OE1 GLN B 45 -10.504 7.598 0.661 1.00 2.35 O flip ATOM 2276 NE2 GLN B 45 -10.274 8.656 2.633 1.00 1.45 N flip ATOM 0 H GLN B 45 -14.801 10.215 2.232 1.00 0.79 H new ATOM 0 HA GLN B 45 -12.099 10.934 2.776 1.00 0.82 H new ATOM 0 HB2 GLN B 45 -13.687 9.752 0.478 1.00 0.93 H new ATOM 0 HB3 GLN B 45 -11.970 10.075 0.334 1.00 0.93 H new ATOM 0 HG2 GLN B 45 -12.834 8.528 2.728 1.00 0.95 H new ATOM 0 HG3 GLN B 45 -12.976 7.722 1.179 1.00 0.95 H new ATOM 0 HE21 GLN B 45 -10.692 9.159 3.416 1.00 1.45 H new ATOM 0 HE22 GLN B 45 -9.269 8.482 2.616 1.00 1.45 H new ATOM 2285 N LEU B 46 -13.934 12.667 0.638 1.00 0.78 N ATOM 2286 CA LEU B 46 -14.016 13.891 -0.169 1.00 0.78 C ATOM 2287 C LEU B 46 -13.164 14.968 0.467 1.00 0.74 C ATOM 2288 O LEU B 46 -12.220 15.460 -0.152 1.00 0.75 O ATOM 2289 CB LEU B 46 -15.473 14.385 -0.294 1.00 0.83 C ATOM 2290 CG LEU B 46 -16.200 14.115 -1.625 1.00 1.04 C ATOM 2291 CD1 LEU B 46 -17.372 15.070 -1.787 1.00 1.25 C ATOM 2292 CD2 LEU B 46 -15.254 14.239 -2.809 1.00 1.30 C ATOM 0 H LEU B 46 -14.802 12.132 0.667 1.00 0.78 H new ATOM 0 HA LEU B 46 -13.650 13.668 -1.171 1.00 0.78 H new ATOM 0 HB2 LEU B 46 -16.054 13.927 0.506 1.00 0.83 H new ATOM 0 HB3 LEU B 46 -15.481 15.461 -0.118 1.00 0.83 H new ATOM 0 HG LEU B 46 -16.574 13.091 -1.601 1.00 1.04 H new ATOM 0 HD11 LEU B 46 -17.877 14.869 -2.732 1.00 1.25 H new ATOM 0 HD12 LEU B 46 -18.072 14.930 -0.964 1.00 1.25 H new ATOM 0 HD13 LEU B 46 -17.008 16.097 -1.782 1.00 1.25 H new ATOM 0 HD21 LEU B 46 -15.799 14.042 -3.732 1.00 1.30 H new ATOM 0 HD22 LEU B 46 -14.840 15.247 -2.840 1.00 1.30 H new ATOM 0 HD23 LEU B 46 -14.444 13.517 -2.705 1.00 1.30 H new ATOM 2304 N PRO B 47 -13.472 15.366 1.708 1.00 0.78 N ATOM 2305 CA PRO B 47 -12.639 16.332 2.377 1.00 0.80 C ATOM 2306 C PRO B 47 -11.512 15.688 3.173 1.00 0.77 C ATOM 2307 O PRO B 47 -11.678 15.359 4.347 1.00 0.82 O ATOM 2308 CB PRO B 47 -13.632 16.956 3.349 1.00 0.91 C ATOM 2309 CG PRO B 47 -14.556 15.835 3.714 1.00 0.95 C ATOM 2310 CD PRO B 47 -14.579 14.894 2.537 1.00 0.90 C ATOM 0 HA PRO B 47 -12.150 17.015 1.682 1.00 0.80 H new ATOM 0 HB2 PRO B 47 -13.128 17.357 4.228 1.00 0.91 H new ATOM 0 HB3 PRO B 47 -14.173 17.782 2.888 1.00 0.91 H new ATOM 0 HG2 PRO B 47 -14.209 15.324 4.612 1.00 0.95 H new ATOM 0 HG3 PRO B 47 -15.556 16.212 3.928 1.00 0.95 H new ATOM 0 HD2 PRO B 47 -14.437 13.859 2.847 1.00 0.90 H new ATOM 0 HD3 PRO B 47 -15.529 14.940 2.004 1.00 0.90 H new ATOM 2318 N HIS B 48 -10.381 15.503 2.531 1.00 0.73 N ATOM 2319 CA HIS B 48 -9.178 15.046 3.202 1.00 0.75 C ATOM 2320 C HIS B 48 -8.284 16.251 3.430 1.00 0.83 C ATOM 2321 O HIS B 48 -8.771 17.375 3.555 1.00 0.91 O ATOM 2322 CB HIS B 48 -8.483 13.949 2.408 1.00 0.73 C ATOM 2323 CG HIS B 48 -8.188 12.739 3.249 1.00 0.98 C ATOM 2324 ND1 HIS B 48 -7.068 12.637 4.051 1.00 1.86 N ATOM 2325 CD2 HIS B 48 -8.896 11.600 3.453 1.00 1.34 C ATOM 2326 CE1 HIS B 48 -7.102 11.493 4.711 1.00 2.02 C ATOM 2327 NE2 HIS B 48 -8.199 10.846 4.365 1.00 1.59 N ATOM 0 H HIS B 48 -10.266 15.664 1.530 1.00 0.73 H new ATOM 0 HA HIS B 48 -9.428 14.598 4.164 1.00 0.75 H new ATOM 0 HB2 HIS B 48 -9.111 13.659 1.565 1.00 0.73 H new ATOM 0 HB3 HIS B 48 -7.552 14.337 1.994 1.00 0.73 H new ATOM 0 HD2 HIS B 48 -9.833 11.336 2.985 1.00 1.34 H new ATOM 0 HE1 HIS B 48 -6.359 11.146 5.414 1.00 2.02 H new ATOM 0 HE2 HIS B 48 -8.484 9.932 4.718 1.00 1.59 H new ATOM 2336 N LEU B 49 -6.979 16.026 3.484 1.00 0.89 N ATOM 2337 CA LEU B 49 -6.051 17.133 3.566 1.00 1.00 C ATOM 2338 C LEU B 49 -5.859 17.654 2.138 1.00 0.98 C ATOM 2339 O LEU B 49 -6.573 18.554 1.697 1.00 1.02 O ATOM 2340 CB LEU B 49 -4.718 16.705 4.193 1.00 1.10 C ATOM 2341 CG LEU B 49 -3.617 17.767 4.162 1.00 1.62 C ATOM 2342 CD1 LEU B 49 -4.106 19.064 4.789 1.00 2.02 C ATOM 2343 CD2 LEU B 49 -2.373 17.264 4.879 1.00 2.44 C ATOM 0 H LEU B 49 -6.549 15.101 3.473 1.00 0.89 H new ATOM 0 HA LEU B 49 -6.444 17.918 4.212 1.00 1.00 H new ATOM 0 HB2 LEU B 49 -4.897 16.419 5.230 1.00 1.10 H new ATOM 0 HB3 LEU B 49 -4.359 15.816 3.674 1.00 1.10 H new ATOM 0 HG LEU B 49 -3.360 17.965 3.121 1.00 1.62 H new ATOM 0 HD11 LEU B 49 -3.309 19.807 4.757 1.00 2.02 H new ATOM 0 HD12 LEU B 49 -4.968 19.434 4.234 1.00 2.02 H new ATOM 0 HD13 LEU B 49 -4.392 18.882 5.825 1.00 2.02 H new ATOM 0 HD21 LEU B 49 -1.600 18.031 4.848 1.00 2.44 H new ATOM 0 HD22 LEU B 49 -2.618 17.038 5.917 1.00 2.44 H new ATOM 0 HD23 LEU B 49 -2.009 16.362 4.387 1.00 2.44 H new ATOM 2355 N LEU B 50 -4.890 17.082 1.417 1.00 0.98 N ATOM 2356 CA LEU B 50 -4.644 17.437 0.016 1.00 1.01 C ATOM 2357 C LEU B 50 -5.512 16.586 -0.929 1.00 0.92 C ATOM 2358 O LEU B 50 -5.162 16.397 -2.093 1.00 1.01 O ATOM 2359 CB LEU B 50 -3.165 17.256 -0.333 1.00 1.11 C ATOM 2360 CG LEU B 50 -2.736 17.845 -1.680 1.00 1.60 C ATOM 2361 CD1 LEU B 50 -3.116 19.315 -1.765 1.00 1.97 C ATOM 2362 CD2 LEU B 50 -1.239 17.670 -1.883 1.00 2.24 C ATOM 0 H LEU B 50 -4.260 16.368 1.783 1.00 0.98 H new ATOM 0 HA LEU B 50 -4.914 18.485 -0.115 1.00 1.01 H new ATOM 0 HB2 LEU B 50 -2.564 17.713 0.453 1.00 1.11 H new ATOM 0 HB3 LEU B 50 -2.935 16.190 -0.331 1.00 1.11 H new ATOM 0 HG LEU B 50 -3.258 17.309 -2.473 1.00 1.60 H new ATOM 0 HD11 LEU B 50 -2.803 19.716 -2.729 1.00 1.97 H new ATOM 0 HD12 LEU B 50 -4.196 19.418 -1.662 1.00 1.97 H new ATOM 0 HD13 LEU B 50 -2.621 19.866 -0.965 1.00 1.97 H new ATOM 0 HD21 LEU B 50 -0.950 18.094 -2.845 1.00 2.24 H new ATOM 0 HD22 LEU B 50 -0.701 18.182 -1.085 1.00 2.24 H new ATOM 0 HD23 LEU B 50 -0.991 16.609 -1.865 1.00 2.24 H new ATOM 2374 N LYS B 51 -6.641 16.074 -0.428 1.00 0.85 N ATOM 2375 CA LYS B 51 -7.532 15.217 -1.211 1.00 0.80 C ATOM 2376 C LYS B 51 -7.677 15.681 -2.647 1.00 0.89 C ATOM 2377 O LYS B 51 -7.363 16.818 -2.998 1.00 1.04 O ATOM 2378 CB LYS B 51 -8.922 15.176 -0.579 1.00 0.95 C ATOM 2379 CG LYS B 51 -9.741 13.928 -0.925 1.00 1.24 C ATOM 2380 CD LYS B 51 -9.000 12.642 -0.607 1.00 2.12 C ATOM 2381 CE LYS B 51 -9.875 11.684 0.187 1.00 2.68 C ATOM 2382 NZ LYS B 51 -9.379 10.292 0.127 1.00 3.58 N ATOM 0 H LYS B 51 -6.960 16.242 0.526 1.00 0.85 H new ATOM 0 HA LYS B 51 -7.077 14.226 -1.213 1.00 0.80 H new ATOM 0 HB2 LYS B 51 -8.817 15.237 0.504 1.00 0.95 H new ATOM 0 HB3 LYS B 51 -9.477 16.059 -0.896 1.00 0.95 H new ATOM 0 HG2 LYS B 51 -10.680 13.949 -0.373 1.00 1.24 H new ATOM 0 HG3 LYS B 51 -9.994 13.945 -1.985 1.00 1.24 H new ATOM 0 HD2 LYS B 51 -8.681 12.164 -1.534 1.00 2.12 H new ATOM 0 HD3 LYS B 51 -8.098 12.870 -0.039 1.00 2.12 H new ATOM 0 HE2 LYS B 51 -9.915 12.009 1.227 1.00 2.68 H new ATOM 0 HE3 LYS B 51 -10.894 11.721 -0.198 1.00 2.68 H new ATOM 0 HZ1 LYS B 51 -10.109 9.681 -0.293 1.00 3.58 H new ATOM 0 HZ2 LYS B 51 -8.519 10.255 -0.456 1.00 3.58 H new ATOM 0 HZ3 LYS B 51 -9.160 9.960 1.088 1.00 3.58 H new ATOM 2396 N ASP B 52 -8.175 14.770 -3.460 1.00 0.92 N ATOM 2397 CA ASP B 52 -8.415 15.033 -4.864 1.00 1.17 C ATOM 2398 C ASP B 52 -9.914 15.167 -5.118 1.00 1.24 C ATOM 2399 O ASP B 52 -10.368 15.103 -6.260 1.00 1.47 O ATOM 2400 CB ASP B 52 -7.831 13.908 -5.720 1.00 1.29 C ATOM 2401 CG ASP B 52 -6.317 13.949 -5.772 1.00 1.87 C ATOM 2402 OD1 ASP B 52 -5.676 13.490 -4.804 1.00 2.35 O ATOM 2403 OD2 ASP B 52 -5.770 14.438 -6.782 1.00 2.61 O ATOM 0 H ASP B 52 -8.425 13.826 -3.165 1.00 0.92 H new ATOM 0 HA ASP B 52 -7.925 15.967 -5.138 1.00 1.17 H new ATOM 0 HB2 ASP B 52 -8.152 12.946 -5.320 1.00 1.29 H new ATOM 0 HB3 ASP B 52 -8.229 13.981 -6.732 1.00 1.29 H new ATOM 2408 N VAL B 53 -10.681 15.358 -4.040 1.00 1.14 N ATOM 2409 CA VAL B 53 -12.121 15.502 -4.145 1.00 1.27 C ATOM 2410 C VAL B 53 -12.742 14.356 -4.943 1.00 1.24 C ATOM 2411 O VAL B 53 -13.077 14.511 -6.117 1.00 1.46 O ATOM 2412 CB VAL B 53 -12.484 16.853 -4.786 1.00 1.58 C ATOM 2413 CG1 VAL B 53 -13.987 16.976 -5.011 1.00 2.18 C ATOM 2414 CG2 VAL B 53 -11.976 18.001 -3.927 1.00 1.92 C ATOM 0 H VAL B 53 -10.320 15.415 -3.088 1.00 1.14 H new ATOM 0 HA VAL B 53 -12.529 15.468 -3.135 1.00 1.27 H new ATOM 0 HB VAL B 53 -11.998 16.903 -5.760 1.00 1.58 H new ATOM 0 HG11 VAL B 53 -14.209 17.942 -5.465 1.00 2.18 H new ATOM 0 HG12 VAL B 53 -14.322 16.178 -5.673 1.00 2.18 H new ATOM 0 HG13 VAL B 53 -14.506 16.896 -4.056 1.00 2.18 H new ATOM 0 HG21 VAL B 53 -12.241 18.950 -4.394 1.00 1.92 H new ATOM 0 HG22 VAL B 53 -12.431 17.944 -2.938 1.00 1.92 H new ATOM 0 HG23 VAL B 53 -10.892 17.933 -3.833 1.00 1.92 H new ATOM 2424 N GLY B 54 -12.870 13.199 -4.293 1.00 1.06 N ATOM 2425 CA GLY B 54 -13.477 12.032 -4.913 1.00 1.09 C ATOM 2426 C GLY B 54 -14.666 12.391 -5.768 1.00 1.13 C ATOM 2427 O GLY B 54 -15.746 12.687 -5.259 1.00 1.23 O ATOM 0 H GLY B 54 -12.558 13.050 -3.333 1.00 1.06 H new ATOM 0 HA2 GLY B 54 -12.734 11.521 -5.525 1.00 1.09 H new ATOM 0 HA3 GLY B 54 -13.788 11.332 -4.138 1.00 1.09 H new ATOM 2431 N SER B 55 -14.462 12.361 -7.072 1.00 1.16 N ATOM 2432 CA SER B 55 -15.508 12.697 -8.020 1.00 1.24 C ATOM 2433 C SER B 55 -16.796 11.958 -7.683 1.00 1.10 C ATOM 2434 O SER B 55 -16.817 10.737 -7.564 1.00 1.09 O ATOM 2435 CB SER B 55 -15.026 12.360 -9.417 1.00 1.40 C ATOM 2436 OG SER B 55 -15.794 13.031 -10.404 1.00 1.62 O ATOM 0 H SER B 55 -13.573 12.105 -7.502 1.00 1.16 H new ATOM 0 HA SER B 55 -15.727 13.763 -7.967 1.00 1.24 H new ATOM 0 HB2 SER B 55 -13.977 12.638 -9.519 1.00 1.40 H new ATOM 0 HB3 SER B 55 -15.088 11.283 -9.575 1.00 1.40 H new ATOM 0 HG SER B 55 -15.459 12.796 -11.295 1.00 1.62 H new ATOM 2442 N LEU B 56 -17.869 12.716 -7.532 1.00 1.15 N ATOM 2443 CA LEU B 56 -19.162 12.156 -7.164 1.00 1.10 C ATOM 2444 C LEU B 56 -19.482 10.848 -7.890 1.00 0.98 C ATOM 2445 O LEU B 56 -19.370 9.770 -7.309 1.00 0.97 O ATOM 2446 CB LEU B 56 -20.272 13.183 -7.406 1.00 1.28 C ATOM 2447 CG LEU B 56 -20.081 14.070 -8.638 1.00 2.03 C ATOM 2448 CD1 LEU B 56 -21.369 14.146 -9.443 1.00 2.61 C ATOM 2449 CD2 LEU B 56 -19.629 15.464 -8.226 1.00 2.83 C ATOM 0 H LEU B 56 -17.871 13.728 -7.659 1.00 1.15 H new ATOM 0 HA LEU B 56 -19.107 11.916 -6.102 1.00 1.10 H new ATOM 0 HB2 LEU B 56 -21.220 12.654 -7.502 1.00 1.28 H new ATOM 0 HB3 LEU B 56 -20.352 13.822 -6.527 1.00 1.28 H new ATOM 0 HG LEU B 56 -19.307 13.627 -9.265 1.00 2.03 H new ATOM 0 HD11 LEU B 56 -21.216 14.781 -10.316 1.00 2.61 H new ATOM 0 HD12 LEU B 56 -21.655 13.145 -9.768 1.00 2.61 H new ATOM 0 HD13 LEU B 56 -22.161 14.566 -8.823 1.00 2.61 H new ATOM 0 HD21 LEU B 56 -19.498 16.081 -9.115 1.00 2.83 H new ATOM 0 HD22 LEU B 56 -20.382 15.914 -7.579 1.00 2.83 H new ATOM 0 HD23 LEU B 56 -18.683 15.396 -7.689 1.00 2.83 H new ATOM 2461 N ASP B 57 -19.884 10.945 -9.151 1.00 1.00 N ATOM 2462 CA ASP B 57 -20.242 9.764 -9.940 1.00 1.01 C ATOM 2463 C ASP B 57 -19.248 8.640 -9.769 1.00 0.95 C ATOM 2464 O ASP B 57 -19.614 7.468 -9.672 1.00 0.97 O ATOM 2465 CB ASP B 57 -20.337 10.098 -11.421 1.00 1.15 C ATOM 2466 CG ASP B 57 -19.356 11.174 -11.847 1.00 1.69 C ATOM 2467 OD1 ASP B 57 -19.705 12.369 -11.748 1.00 2.19 O ATOM 2468 OD2 ASP B 57 -18.238 10.823 -12.279 1.00 2.48 O ATOM 0 H ASP B 57 -19.972 11.828 -9.653 1.00 1.00 H new ATOM 0 HA ASP B 57 -21.213 9.438 -9.568 1.00 1.01 H new ATOM 0 HB2 ASP B 57 -20.155 9.195 -12.004 1.00 1.15 H new ATOM 0 HB3 ASP B 57 -21.351 10.426 -11.650 1.00 1.15 H new ATOM 2473 N GLU B 58 -17.995 9.013 -9.732 1.00 0.94 N ATOM 2474 CA GLU B 58 -16.910 8.056 -9.587 1.00 0.95 C ATOM 2475 C GLU B 58 -17.183 7.184 -8.382 1.00 0.87 C ATOM 2476 O GLU B 58 -16.853 5.998 -8.360 1.00 0.90 O ATOM 2477 CB GLU B 58 -15.572 8.774 -9.427 1.00 0.98 C ATOM 2478 CG GLU B 58 -14.374 7.841 -9.502 1.00 1.44 C ATOM 2479 CD GLU B 58 -13.054 8.571 -9.357 1.00 1.80 C ATOM 2480 OE1 GLU B 58 -12.510 9.026 -10.386 1.00 2.29 O ATOM 2481 OE2 GLU B 58 -12.563 8.687 -8.215 1.00 2.42 O ATOM 0 H GLU B 58 -17.690 9.984 -9.801 1.00 0.94 H new ATOM 0 HA GLU B 58 -16.854 7.439 -10.484 1.00 0.95 H new ATOM 0 HB2 GLU B 58 -15.481 9.534 -10.203 1.00 0.98 H new ATOM 0 HB3 GLU B 58 -15.559 9.294 -8.469 1.00 0.98 H new ATOM 0 HG2 GLU B 58 -14.456 7.088 -8.718 1.00 1.44 H new ATOM 0 HG3 GLU B 58 -14.389 7.313 -10.455 1.00 1.44 H new ATOM 2488 N LYS B 59 -17.810 7.793 -7.387 1.00 0.81 N ATOM 2489 CA LYS B 59 -18.166 7.090 -6.179 1.00 0.76 C ATOM 2490 C LYS B 59 -19.181 6.015 -6.492 1.00 0.80 C ATOM 2491 O LYS B 59 -19.202 4.965 -5.857 1.00 0.79 O ATOM 2492 CB LYS B 59 -18.724 8.061 -5.140 1.00 0.75 C ATOM 2493 CG LYS B 59 -17.792 9.225 -4.880 1.00 0.75 C ATOM 2494 CD LYS B 59 -18.357 10.222 -3.877 1.00 1.14 C ATOM 2495 CE LYS B 59 -19.809 10.573 -4.177 1.00 1.95 C ATOM 2496 NZ LYS B 59 -20.163 11.942 -3.708 1.00 2.67 N ATOM 0 H LYS B 59 -18.081 8.776 -7.399 1.00 0.81 H new ATOM 0 HA LYS B 59 -17.271 6.624 -5.766 1.00 0.76 H new ATOM 0 HB2 LYS B 59 -19.688 8.440 -5.481 1.00 0.75 H new ATOM 0 HB3 LYS B 59 -18.903 7.527 -4.207 1.00 0.75 H new ATOM 0 HG2 LYS B 59 -16.839 8.846 -4.511 1.00 0.75 H new ATOM 0 HG3 LYS B 59 -17.588 9.738 -5.820 1.00 0.75 H new ATOM 0 HD2 LYS B 59 -18.285 9.806 -2.872 1.00 1.14 H new ATOM 0 HD3 LYS B 59 -17.754 11.130 -3.890 1.00 1.14 H new ATOM 0 HE2 LYS B 59 -19.984 10.501 -5.250 1.00 1.95 H new ATOM 0 HE3 LYS B 59 -20.464 9.845 -3.698 1.00 1.95 H new ATOM 0 HZ1 LYS B 59 -21.120 12.185 -4.036 1.00 2.67 H new ATOM 0 HZ2 LYS B 59 -20.135 11.971 -2.669 1.00 2.67 H new ATOM 0 HZ3 LYS B 59 -19.481 12.627 -4.092 1.00 2.67 H new ATOM 2510 N MET B 60 -20.030 6.295 -7.472 1.00 0.86 N ATOM 2511 CA MET B 60 -21.052 5.340 -7.882 1.00 0.92 C ATOM 2512 C MET B 60 -20.471 4.314 -8.846 1.00 0.96 C ATOM 2513 O MET B 60 -20.905 3.163 -8.890 1.00 1.01 O ATOM 2514 CB MET B 60 -22.235 6.066 -8.527 1.00 1.00 C ATOM 2515 CG MET B 60 -22.940 7.031 -7.588 1.00 1.01 C ATOM 2516 SD MET B 60 -23.645 6.209 -6.146 1.00 1.74 S ATOM 2517 CE MET B 60 -24.404 7.593 -5.301 1.00 2.31 C ATOM 0 H MET B 60 -20.032 7.170 -7.995 1.00 0.86 H new ATOM 0 HA MET B 60 -21.408 4.817 -6.994 1.00 0.92 H new ATOM 0 HB2 MET B 60 -21.882 6.614 -9.400 1.00 1.00 H new ATOM 0 HB3 MET B 60 -22.954 5.328 -8.883 1.00 1.00 H new ATOM 0 HG2 MET B 60 -22.233 7.792 -7.258 1.00 1.01 H new ATOM 0 HG3 MET B 60 -23.732 7.546 -8.131 1.00 1.01 H new ATOM 0 HE1 MET B 60 -24.883 7.243 -4.387 1.00 2.31 H new ATOM 0 HE2 MET B 60 -23.641 8.330 -5.052 1.00 2.31 H new ATOM 0 HE3 MET B 60 -25.151 8.050 -5.950 1.00 2.31 H new ATOM 2527 N LYS B 61 -19.483 4.749 -9.615 1.00 0.97 N ATOM 2528 CA LYS B 61 -18.826 3.893 -10.594 1.00 1.02 C ATOM 2529 C LYS B 61 -17.781 3.016 -9.929 1.00 0.96 C ATOM 2530 O LYS B 61 -17.900 1.791 -9.920 1.00 0.92 O ATOM 2531 CB LYS B 61 -18.200 4.735 -11.699 1.00 1.09 C ATOM 2532 CG LYS B 61 -17.257 3.965 -12.607 1.00 1.55 C ATOM 2533 CD LYS B 61 -16.585 4.879 -13.619 1.00 2.08 C ATOM 2534 CE LYS B 61 -17.605 5.576 -14.506 1.00 2.60 C ATOM 2535 NZ LYS B 61 -16.958 6.482 -15.494 1.00 3.16 N ATOM 0 H LYS B 61 -19.115 5.700 -9.579 1.00 0.97 H new ATOM 0 HA LYS B 61 -19.577 3.241 -11.040 1.00 1.02 H new ATOM 0 HB2 LYS B 61 -18.995 5.170 -12.304 1.00 1.09 H new ATOM 0 HB3 LYS B 61 -17.655 5.563 -11.246 1.00 1.09 H new ATOM 0 HG2 LYS B 61 -16.497 3.467 -12.005 1.00 1.55 H new ATOM 0 HG3 LYS B 61 -17.811 3.186 -13.131 1.00 1.55 H new ATOM 0 HD2 LYS B 61 -15.987 5.625 -13.096 1.00 2.08 H new ATOM 0 HD3 LYS B 61 -15.901 4.298 -14.237 1.00 2.08 H new ATOM 0 HE2 LYS B 61 -18.198 4.829 -15.033 1.00 2.60 H new ATOM 0 HE3 LYS B 61 -18.294 6.149 -13.885 1.00 2.60 H new ATOM 0 HZ1 LYS B 61 -17.688 6.937 -16.078 1.00 3.16 H new ATOM 0 HZ2 LYS B 61 -16.413 7.211 -14.991 1.00 3.16 H new ATOM 0 HZ3 LYS B 61 -16.320 5.932 -16.104 1.00 3.16 H new ATOM 2549 N THR B 62 -16.753 3.647 -9.366 1.00 0.99 N ATOM 2550 CA THR B 62 -15.701 2.908 -8.683 1.00 0.96 C ATOM 2551 C THR B 62 -16.314 1.907 -7.713 1.00 0.87 C ATOM 2552 O THR B 62 -15.717 0.885 -7.390 1.00 0.84 O ATOM 2553 CB THR B 62 -14.746 3.848 -7.926 1.00 1.03 C ATOM 2554 OG1 THR B 62 -14.117 4.743 -8.844 1.00 1.13 O ATOM 2555 CG2 THR B 62 -13.686 3.059 -7.172 1.00 1.05 C ATOM 0 H THR B 62 -16.629 4.659 -9.370 1.00 0.99 H new ATOM 0 HA THR B 62 -15.122 2.379 -9.440 1.00 0.96 H new ATOM 0 HB THR B 62 -15.331 4.417 -7.203 1.00 1.03 H new ATOM 0 HG1 THR B 62 -13.399 5.229 -8.387 1.00 1.13 H new ATOM 0 HG21 THR B 62 -13.025 3.748 -6.646 1.00 1.05 H new ATOM 0 HG22 THR B 62 -14.168 2.398 -6.452 1.00 1.05 H new ATOM 0 HG23 THR B 62 -13.104 2.465 -7.877 1.00 1.05 H new ATOM 2563 N LEU B 63 -17.523 2.219 -7.256 1.00 0.86 N ATOM 2564 CA LEU B 63 -18.263 1.352 -6.355 1.00 0.83 C ATOM 2565 C LEU B 63 -18.226 -0.090 -6.856 1.00 0.80 C ATOM 2566 O LEU B 63 -17.781 -0.996 -6.156 1.00 0.89 O ATOM 2567 CB LEU B 63 -19.702 1.858 -6.262 1.00 0.95 C ATOM 2568 CG LEU B 63 -20.617 1.105 -5.302 1.00 0.92 C ATOM 2569 CD1 LEU B 63 -21.673 2.042 -4.733 1.00 1.05 C ATOM 2570 CD2 LEU B 63 -21.280 -0.072 -6.003 1.00 1.41 C ATOM 0 H LEU B 63 -18.014 3.079 -7.501 1.00 0.86 H new ATOM 0 HA LEU B 63 -17.808 1.370 -5.365 1.00 0.83 H new ATOM 0 HB2 LEU B 63 -19.679 2.906 -5.963 1.00 0.95 H new ATOM 0 HB3 LEU B 63 -20.144 1.821 -7.258 1.00 0.95 H new ATOM 0 HG LEU B 63 -20.011 0.720 -4.482 1.00 0.92 H new ATOM 0 HD11 LEU B 63 -22.319 1.490 -4.050 1.00 1.05 H new ATOM 0 HD12 LEU B 63 -21.186 2.855 -4.195 1.00 1.05 H new ATOM 0 HD13 LEU B 63 -22.272 2.452 -5.546 1.00 1.05 H new ATOM 0 HD21 LEU B 63 -21.928 -0.596 -5.301 1.00 1.41 H new ATOM 0 HD22 LEU B 63 -21.873 0.291 -6.842 1.00 1.41 H new ATOM 0 HD23 LEU B 63 -20.514 -0.756 -6.369 1.00 1.41 H new ATOM 2582 N ASP B 64 -18.679 -0.286 -8.085 1.00 0.78 N ATOM 2583 CA ASP B 64 -18.691 -1.608 -8.691 1.00 0.81 C ATOM 2584 C ASP B 64 -17.267 -2.113 -8.925 1.00 0.81 C ATOM 2585 O ASP B 64 -17.022 -3.318 -8.972 1.00 0.88 O ATOM 2586 CB ASP B 64 -19.462 -1.565 -10.013 1.00 0.91 C ATOM 2587 CG ASP B 64 -19.392 -2.878 -10.769 1.00 1.34 C ATOM 2588 OD1 ASP B 64 -18.433 -3.064 -11.547 1.00 2.05 O ATOM 2589 OD2 ASP B 64 -20.294 -3.721 -10.581 1.00 1.96 O ATOM 0 H ASP B 64 -19.044 0.455 -8.683 1.00 0.78 H new ATOM 0 HA ASP B 64 -19.187 -2.298 -8.009 1.00 0.81 H new ATOM 0 HB2 ASP B 64 -20.505 -1.319 -9.814 1.00 0.91 H new ATOM 0 HB3 ASP B 64 -19.061 -0.768 -10.638 1.00 0.91 H new ATOM 2594 N VAL B 65 -16.332 -1.178 -9.072 1.00 0.81 N ATOM 2595 CA VAL B 65 -14.931 -1.513 -9.316 1.00 0.87 C ATOM 2596 C VAL B 65 -14.182 -1.879 -8.033 1.00 0.77 C ATOM 2597 O VAL B 65 -13.808 -3.033 -7.825 1.00 0.83 O ATOM 2598 CB VAL B 65 -14.197 -0.342 -10.002 1.00 0.95 C ATOM 2599 CG1 VAL B 65 -12.737 -0.690 -10.258 1.00 1.06 C ATOM 2600 CG2 VAL B 65 -14.896 0.039 -11.298 1.00 1.07 C ATOM 0 H VAL B 65 -16.521 -0.177 -9.026 1.00 0.81 H new ATOM 0 HA VAL B 65 -14.938 -2.385 -9.969 1.00 0.87 H new ATOM 0 HB VAL B 65 -14.225 0.517 -9.331 1.00 0.95 H new ATOM 0 HG11 VAL B 65 -12.242 0.152 -10.742 1.00 1.06 H new ATOM 0 HG12 VAL B 65 -12.243 -0.906 -9.311 1.00 1.06 H new ATOM 0 HG13 VAL B 65 -12.680 -1.566 -10.905 1.00 1.06 H new ATOM 0 HG21 VAL B 65 -14.365 0.866 -11.768 1.00 1.07 H new ATOM 0 HG22 VAL B 65 -14.904 -0.817 -11.972 1.00 1.07 H new ATOM 0 HG23 VAL B 65 -15.921 0.341 -11.083 1.00 1.07 H new ATOM 2610 N ASN B 66 -13.969 -0.883 -7.180 1.00 0.72 N ATOM 2611 CA ASN B 66 -13.234 -1.063 -5.930 1.00 0.67 C ATOM 2612 C ASN B 66 -14.061 -1.710 -4.829 1.00 0.56 C ATOM 2613 O ASN B 66 -13.989 -1.279 -3.676 1.00 0.57 O ATOM 2614 CB ASN B 66 -12.756 0.288 -5.416 1.00 0.81 C ATOM 2615 CG ASN B 66 -11.792 0.967 -6.370 1.00 0.82 C ATOM 2616 OD1 ASN B 66 -11.853 0.762 -7.581 1.00 1.52 O ATOM 2617 ND2 ASN B 66 -10.889 1.772 -5.823 1.00 1.10 N ATOM 0 H ASN B 66 -14.299 0.070 -7.333 1.00 0.72 H new ATOM 0 HA ASN B 66 -12.402 -1.728 -6.164 1.00 0.67 H new ATOM 0 HB2 ASN B 66 -13.617 0.936 -5.253 1.00 0.81 H new ATOM 0 HB3 ASN B 66 -12.271 0.154 -4.449 1.00 0.81 H new ATOM 0 HD21 ASN B 66 -10.208 2.250 -6.413 1.00 1.10 H new ATOM 0 HD22 ASN B 66 -10.876 1.912 -4.813 1.00 1.10 H new ATOM 2624 N GLN B 67 -14.839 -2.733 -5.139 1.00 0.63 N ATOM 2625 CA GLN B 67 -15.615 -3.350 -4.087 1.00 0.68 C ATOM 2626 C GLN B 67 -14.781 -4.308 -3.276 1.00 0.61 C ATOM 2627 O GLN B 67 -14.871 -4.348 -2.057 1.00 0.66 O ATOM 2628 CB GLN B 67 -16.877 -4.036 -4.586 1.00 0.90 C ATOM 2629 CG GLN B 67 -16.803 -4.898 -5.828 1.00 0.74 C ATOM 2630 CD GLN B 67 -15.686 -5.921 -5.867 1.00 1.20 C ATOM 2631 OE1 GLN B 67 -15.781 -6.969 -5.232 1.00 2.01 O ATOM 2632 NE2 GLN B 67 -14.643 -5.648 -6.650 1.00 1.44 N ATOM 0 H GLN B 67 -14.947 -3.137 -6.069 1.00 0.63 H new ATOM 0 HA GLN B 67 -15.938 -2.531 -3.444 1.00 0.68 H new ATOM 0 HB2 GLN B 67 -17.255 -4.659 -3.775 1.00 0.90 H new ATOM 0 HB3 GLN B 67 -17.622 -3.262 -4.767 1.00 0.90 H new ATOM 0 HG2 GLN B 67 -17.752 -5.423 -5.938 1.00 0.74 H new ATOM 0 HG3 GLN B 67 -16.699 -4.244 -6.693 1.00 0.74 H new ATOM 0 HE21 GLN B 67 -14.605 -4.765 -7.159 1.00 1.44 H new ATOM 0 HE22 GLN B 67 -13.883 -6.322 -6.740 1.00 1.44 H new ATOM 2641 N ASP B 68 -13.929 -5.035 -3.946 1.00 0.59 N ATOM 2642 CA ASP B 68 -13.095 -5.994 -3.288 1.00 0.62 C ATOM 2643 C ASP B 68 -11.849 -5.335 -2.751 1.00 0.59 C ATOM 2644 O ASP B 68 -10.925 -6.034 -2.342 1.00 0.65 O ATOM 2645 CB ASP B 68 -12.729 -7.122 -4.235 1.00 0.73 C ATOM 2646 CG ASP B 68 -13.717 -8.267 -4.188 1.00 0.97 C ATOM 2647 OD1 ASP B 68 -14.082 -8.686 -3.073 1.00 1.50 O ATOM 2648 OD2 ASP B 68 -14.131 -8.739 -5.266 1.00 1.58 O ATOM 0 H ASP B 68 -13.796 -4.978 -4.956 1.00 0.59 H new ATOM 0 HA ASP B 68 -13.653 -6.413 -2.450 1.00 0.62 H new ATOM 0 HB2 ASP B 68 -12.676 -6.734 -5.252 1.00 0.73 H new ATOM 0 HB3 ASP B 68 -11.736 -7.494 -3.984 1.00 0.73 H new ATOM 2653 N SER B 69 -11.823 -3.981 -2.715 1.00 0.56 N ATOM 2654 CA SER B 69 -10.653 -3.249 -2.214 1.00 0.58 C ATOM 2655 C SER B 69 -10.092 -3.967 -0.998 1.00 0.62 C ATOM 2656 O SER B 69 -8.891 -3.956 -0.747 1.00 0.74 O ATOM 2657 CB SER B 69 -11.026 -1.805 -1.865 1.00 0.66 C ATOM 2658 OG SER B 69 -12.095 -1.765 -0.936 1.00 1.74 O ATOM 0 H SER B 69 -12.592 -3.387 -3.024 1.00 0.56 H new ATOM 0 HA SER B 69 -9.892 -3.217 -2.993 1.00 0.58 H new ATOM 0 HB2 SER B 69 -10.159 -1.293 -1.449 1.00 0.66 H new ATOM 0 HB3 SER B 69 -11.308 -1.270 -2.772 1.00 0.66 H new ATOM 0 HG SER B 69 -12.656 -0.982 -1.116 1.00 1.74 H new ATOM 2664 N GLU B 70 -11.006 -4.592 -0.267 1.00 0.63 N ATOM 2665 CA GLU B 70 -10.671 -5.429 0.862 1.00 0.76 C ATOM 2666 C GLU B 70 -11.065 -6.825 0.486 1.00 0.77 C ATOM 2667 O GLU B 70 -11.982 -7.025 -0.311 1.00 0.81 O ATOM 2668 CB GLU B 70 -11.424 -5.041 2.125 1.00 0.84 C ATOM 2669 CG GLU B 70 -11.806 -6.236 3.036 1.00 1.33 C ATOM 2670 CD GLU B 70 -10.615 -6.922 3.673 1.00 2.19 C ATOM 2671 OE1 GLU B 70 -9.479 -6.672 3.224 1.00 2.87 O ATOM 2672 OE2 GLU B 70 -10.820 -7.702 4.625 1.00 2.73 O ATOM 0 H GLU B 70 -12.008 -4.527 -0.448 1.00 0.63 H new ATOM 0 HA GLU B 70 -9.608 -5.325 1.079 1.00 0.76 H new ATOM 0 HB2 GLU B 70 -10.813 -4.344 2.698 1.00 0.84 H new ATOM 0 HB3 GLU B 70 -12.333 -4.510 1.843 1.00 0.84 H new ATOM 0 HG2 GLU B 70 -12.474 -5.883 3.822 1.00 1.33 H new ATOM 0 HG3 GLU B 70 -12.363 -6.966 2.448 1.00 1.33 H new ATOM 2679 N LEU B 71 -10.390 -7.784 1.045 1.00 0.79 N ATOM 2680 CA LEU B 71 -10.724 -9.122 0.752 1.00 0.83 C ATOM 2681 C LEU B 71 -10.482 -10.084 1.927 1.00 0.81 C ATOM 2682 O LEU B 71 -9.723 -9.796 2.835 1.00 0.86 O ATOM 2683 CB LEU B 71 -9.917 -9.415 -0.470 1.00 0.99 C ATOM 2684 CG LEU B 71 -9.700 -10.832 -0.811 1.00 0.78 C ATOM 2685 CD1 LEU B 71 -8.774 -11.550 0.161 1.00 1.89 C ATOM 2686 CD2 LEU B 71 -11.028 -11.493 -1.018 1.00 1.25 C ATOM 0 H LEU B 71 -9.616 -7.656 1.697 1.00 0.79 H new ATOM 0 HA LEU B 71 -11.790 -9.267 0.577 1.00 0.83 H new ATOM 0 HB2 LEU B 71 -10.403 -8.934 -1.319 1.00 0.99 H new ATOM 0 HB3 LEU B 71 -8.942 -8.943 -0.352 1.00 0.99 H new ATOM 0 HG LEU B 71 -9.153 -10.895 -1.752 1.00 0.78 H new ATOM 0 HD11 LEU B 71 -8.657 -12.589 -0.148 1.00 1.89 H new ATOM 0 HD12 LEU B 71 -7.800 -11.061 0.165 1.00 1.89 H new ATOM 0 HD13 LEU B 71 -9.201 -11.515 1.163 1.00 1.89 H new ATOM 0 HD21 LEU B 71 -10.877 -12.542 -1.271 1.00 1.25 H new ATOM 0 HD22 LEU B 71 -11.617 -11.421 -0.103 1.00 1.25 H new ATOM 0 HD23 LEU B 71 -11.559 -10.997 -1.831 1.00 1.25 H new ATOM 2698 N ARG B 72 -11.239 -11.166 1.967 1.00 0.77 N ATOM 2699 CA ARG B 72 -11.049 -12.209 2.959 1.00 0.80 C ATOM 2700 C ARG B 72 -10.615 -13.488 2.231 1.00 0.69 C ATOM 2701 O ARG B 72 -9.920 -14.336 2.791 1.00 0.76 O ATOM 2702 CB ARG B 72 -12.328 -12.446 3.764 1.00 0.91 C ATOM 2703 CG ARG B 72 -13.245 -11.233 3.871 1.00 1.00 C ATOM 2704 CD ARG B 72 -12.492 -9.944 4.162 1.00 1.06 C ATOM 2705 NE ARG B 72 -11.257 -10.171 4.910 1.00 1.30 N ATOM 2706 CZ ARG B 72 -11.220 -10.385 6.221 1.00 1.18 C ATOM 2707 NH1 ARG B 72 -12.344 -10.401 6.925 1.00 1.55 N ATOM 2708 NH2 ARG B 72 -10.059 -10.582 6.831 1.00 1.42 N ATOM 0 H ARG B 72 -12.001 -11.346 1.314 1.00 0.77 H new ATOM 0 HA ARG B 72 -10.280 -11.905 3.669 1.00 0.80 H new ATOM 0 HB2 ARG B 72 -12.883 -13.265 3.307 1.00 0.91 H new ATOM 0 HB3 ARG B 72 -12.055 -12.768 4.769 1.00 0.91 H new ATOM 0 HG2 ARG B 72 -13.800 -11.121 2.940 1.00 1.00 H new ATOM 0 HG3 ARG B 72 -13.977 -11.406 4.660 1.00 1.00 H new ATOM 0 HD2 ARG B 72 -12.257 -9.445 3.222 1.00 1.06 H new ATOM 0 HD3 ARG B 72 -13.136 -9.271 4.727 1.00 1.06 H new ATOM 0 HE ARG B 72 -10.375 -10.165 4.398 1.00 1.30 H new ATOM 0 HH11 ARG B 72 -13.239 -10.249 6.460 1.00 1.55 H new ATOM 0 HH12 ARG B 72 -12.313 -10.565 7.931 1.00 1.55 H new ATOM 0 HH21 ARG B 72 -9.192 -10.569 6.294 1.00 1.42 H new ATOM 0 HH22 ARG B 72 -10.033 -10.746 7.837 1.00 1.42 H new ATOM 2722 N PHE B 73 -11.044 -13.607 0.961 1.00 0.60 N ATOM 2723 CA PHE B 73 -10.678 -14.731 0.112 1.00 0.57 C ATOM 2724 C PHE B 73 -9.494 -14.410 -0.855 1.00 0.52 C ATOM 2725 O PHE B 73 -8.371 -14.332 -0.405 1.00 0.63 O ATOM 2726 CB PHE B 73 -11.941 -15.327 -0.573 1.00 0.65 C ATOM 2727 CG PHE B 73 -12.534 -14.635 -1.775 1.00 0.59 C ATOM 2728 CD1 PHE B 73 -13.056 -13.357 -1.689 1.00 1.24 C ATOM 2729 CD2 PHE B 73 -12.580 -15.284 -2.997 1.00 1.36 C ATOM 2730 CE1 PHE B 73 -13.605 -12.738 -2.785 1.00 1.32 C ATOM 2731 CE2 PHE B 73 -13.131 -14.670 -4.105 1.00 1.44 C ATOM 2732 CZ PHE B 73 -13.646 -13.394 -3.999 1.00 0.87 C ATOM 0 H PHE B 73 -11.651 -12.925 0.506 1.00 0.60 H new ATOM 0 HA PHE B 73 -10.272 -15.521 0.744 1.00 0.57 H new ATOM 0 HB2 PHE B 73 -11.700 -16.347 -0.871 1.00 0.65 H new ATOM 0 HB3 PHE B 73 -12.722 -15.392 0.184 1.00 0.65 H new ATOM 0 HD1 PHE B 73 -13.031 -12.837 -0.743 1.00 1.24 H new ATOM 0 HD2 PHE B 73 -12.180 -16.283 -3.085 1.00 1.36 H new ATOM 0 HE1 PHE B 73 -14.005 -11.738 -2.697 1.00 1.32 H new ATOM 0 HE2 PHE B 73 -13.159 -15.188 -5.052 1.00 1.44 H new ATOM 0 HZ PHE B 73 -14.079 -12.911 -4.862 1.00 0.87 H new ATOM 2742 N SER B 74 -9.714 -14.132 -2.138 1.00 0.48 N ATOM 2743 CA SER B 74 -8.557 -13.950 -3.063 1.00 0.48 C ATOM 2744 C SER B 74 -8.462 -12.588 -3.719 1.00 0.42 C ATOM 2745 O SER B 74 -7.448 -12.252 -4.331 1.00 0.46 O ATOM 2746 CB SER B 74 -8.537 -15.007 -4.162 1.00 0.63 C ATOM 2747 OG SER B 74 -9.849 -15.383 -4.540 1.00 1.03 O ATOM 0 H SER B 74 -10.635 -14.028 -2.564 1.00 0.48 H new ATOM 0 HA SER B 74 -7.695 -14.054 -2.405 1.00 0.48 H new ATOM 0 HB2 SER B 74 -8.003 -14.621 -5.030 1.00 0.63 H new ATOM 0 HB3 SER B 74 -7.991 -15.884 -3.815 1.00 0.63 H new ATOM 0 HG SER B 74 -9.804 -16.060 -5.247 1.00 1.03 H new ATOM 2753 N GLU B 75 -9.500 -11.817 -3.600 1.00 0.43 N ATOM 2754 CA GLU B 75 -9.549 -10.476 -4.188 1.00 0.42 C ATOM 2755 C GLU B 75 -8.617 -9.462 -3.492 1.00 0.42 C ATOM 2756 O GLU B 75 -8.770 -8.257 -3.684 1.00 0.56 O ATOM 2757 CB GLU B 75 -10.972 -9.946 -4.087 1.00 0.44 C ATOM 2758 CG GLU B 75 -12.036 -10.924 -4.525 1.00 0.59 C ATOM 2759 CD GLU B 75 -12.133 -11.056 -6.033 1.00 0.93 C ATOM 2760 OE1 GLU B 75 -11.401 -11.892 -6.603 1.00 1.60 O ATOM 2761 OE2 GLU B 75 -12.938 -10.325 -6.645 1.00 1.41 O ATOM 0 H GLU B 75 -10.346 -12.082 -3.096 1.00 0.43 H new ATOM 0 HA GLU B 75 -9.215 -10.577 -5.220 1.00 0.42 H new ATOM 0 HB2 GLU B 75 -11.166 -9.656 -3.054 1.00 0.44 H new ATOM 0 HB3 GLU B 75 -11.054 -9.043 -4.693 1.00 0.44 H new ATOM 0 HG2 GLU B 75 -11.823 -11.902 -4.093 1.00 0.59 H new ATOM 0 HG3 GLU B 75 -13.001 -10.604 -4.131 1.00 0.59 H new ATOM 2768 N TYR B 76 -7.654 -9.934 -2.696 1.00 0.38 N ATOM 2769 CA TYR B 76 -6.784 -9.045 -1.961 1.00 0.38 C ATOM 2770 C TYR B 76 -6.023 -8.134 -2.899 1.00 0.39 C ATOM 2771 O TYR B 76 -5.639 -7.021 -2.542 1.00 0.42 O ATOM 2772 CB TYR B 76 -5.836 -9.833 -1.052 1.00 0.40 C ATOM 2773 CG TYR B 76 -6.270 -9.905 0.388 1.00 0.41 C ATOM 2774 CD1 TYR B 76 -6.995 -8.883 0.973 1.00 1.29 C ATOM 2775 CD2 TYR B 76 -5.970 -11.016 1.160 1.00 1.22 C ATOM 2776 CE1 TYR B 76 -7.405 -8.955 2.269 1.00 1.29 C ATOM 2777 CE2 TYR B 76 -6.381 -11.102 2.469 1.00 1.26 C ATOM 2778 CZ TYR B 76 -7.102 -10.068 3.022 1.00 0.48 C ATOM 2779 OH TYR B 76 -7.517 -10.142 4.332 1.00 0.54 O ATOM 0 H TYR B 76 -7.466 -10.926 -2.552 1.00 0.38 H new ATOM 0 HA TYR B 76 -7.404 -8.416 -1.323 1.00 0.38 H new ATOM 0 HB2 TYR B 76 -5.739 -10.847 -1.440 1.00 0.40 H new ATOM 0 HB3 TYR B 76 -4.847 -9.378 -1.098 1.00 0.40 H new ATOM 0 HD1 TYR B 76 -7.241 -8.009 0.389 1.00 1.29 H new ATOM 0 HD2 TYR B 76 -5.404 -11.827 0.726 1.00 1.22 H new ATOM 0 HE1 TYR B 76 -7.966 -8.142 2.706 1.00 1.29 H new ATOM 0 HE2 TYR B 76 -6.140 -11.974 3.059 1.00 1.26 H new ATOM 0 HH TYR B 76 -8.471 -9.923 4.386 1.00 0.54 H new ATOM 2789 N TRP B 77 -5.820 -8.601 -4.112 1.00 0.40 N ATOM 2790 CA TRP B 77 -5.146 -7.784 -5.119 1.00 0.43 C ATOM 2791 C TRP B 77 -5.897 -6.467 -5.285 1.00 0.45 C ATOM 2792 O TRP B 77 -5.367 -5.512 -5.839 1.00 0.50 O ATOM 2793 CB TRP B 77 -5.105 -8.512 -6.455 1.00 0.45 C ATOM 2794 CG TRP B 77 -6.474 -8.781 -6.977 1.00 0.45 C ATOM 2795 CD1 TRP B 77 -7.387 -7.849 -7.367 1.00 0.50 C ATOM 2796 CD2 TRP B 77 -7.103 -10.055 -7.135 1.00 0.46 C ATOM 2797 NE1 TRP B 77 -8.536 -8.464 -7.778 1.00 0.53 N ATOM 2798 CE2 TRP B 77 -8.392 -9.821 -7.645 1.00 0.51 C ATOM 2799 CE3 TRP B 77 -6.699 -11.369 -6.901 1.00 0.47 C ATOM 2800 CZ2 TRP B 77 -9.281 -10.856 -7.922 1.00 0.56 C ATOM 2801 CZ3 TRP B 77 -7.581 -12.395 -7.173 1.00 0.53 C ATOM 2802 CH2 TRP B 77 -8.858 -12.135 -7.680 1.00 0.56 C ATOM 0 H TRP B 77 -6.104 -9.528 -4.430 1.00 0.40 H new ATOM 0 HA TRP B 77 -4.124 -7.592 -4.791 1.00 0.43 H new ATOM 0 HB2 TRP B 77 -4.550 -7.914 -7.178 1.00 0.45 H new ATOM 0 HB3 TRP B 77 -4.568 -9.453 -6.340 1.00 0.45 H new ATOM 0 HD1 TRP B 77 -7.227 -6.781 -7.353 1.00 0.50 H new ATOM 0 HE1 TRP B 77 -9.368 -7.989 -8.128 1.00 0.53 H new ATOM 0 HE3 TRP B 77 -5.713 -11.580 -6.514 1.00 0.47 H new ATOM 0 HZ2 TRP B 77 -10.268 -10.657 -8.313 1.00 0.56 H new ATOM 0 HZ3 TRP B 77 -7.280 -13.416 -6.991 1.00 0.53 H new ATOM 0 HH2 TRP B 77 -9.524 -12.960 -7.885 1.00 0.56 H new ATOM 2813 N ARG B 78 -7.153 -6.428 -4.832 1.00 0.43 N ATOM 2814 CA ARG B 78 -7.941 -5.225 -4.924 1.00 0.47 C ATOM 2815 C ARG B 78 -7.429 -4.175 -3.945 1.00 0.49 C ATOM 2816 O ARG B 78 -7.634 -2.981 -4.154 1.00 0.62 O ATOM 2817 CB ARG B 78 -9.422 -5.539 -4.733 1.00 0.50 C ATOM 2818 CG ARG B 78 -10.020 -6.178 -5.967 1.00 0.61 C ATOM 2819 CD ARG B 78 -10.228 -5.169 -7.082 1.00 0.77 C ATOM 2820 NE ARG B 78 -10.757 -5.795 -8.290 1.00 1.49 N ATOM 2821 CZ ARG B 78 -11.120 -5.118 -9.375 1.00 1.76 C ATOM 2822 NH1 ARG B 78 -11.004 -3.797 -9.404 1.00 1.37 N ATOM 2823 NH2 ARG B 78 -11.597 -5.760 -10.432 1.00 2.83 N ATOM 0 H ARG B 78 -7.632 -7.219 -4.402 1.00 0.43 H new ATOM 0 HA ARG B 78 -7.835 -4.802 -5.923 1.00 0.47 H new ATOM 0 HB2 ARG B 78 -9.546 -6.207 -3.881 1.00 0.50 H new ATOM 0 HB3 ARG B 78 -9.962 -4.621 -4.500 1.00 0.50 H new ATOM 0 HG2 ARG B 78 -9.365 -6.976 -6.317 1.00 0.61 H new ATOM 0 HG3 ARG B 78 -10.974 -6.639 -5.711 1.00 0.61 H new ATOM 0 HD2 ARG B 78 -10.914 -4.392 -6.745 1.00 0.77 H new ATOM 0 HD3 ARG B 78 -9.281 -4.680 -7.311 1.00 0.77 H new ATOM 0 HE ARG B 78 -10.854 -6.810 -8.302 1.00 1.49 H new ATOM 0 HH11 ARG B 78 -10.636 -3.299 -8.593 1.00 1.37 H new ATOM 0 HH12 ARG B 78 -11.283 -3.279 -10.237 1.00 1.37 H new ATOM 0 HH21 ARG B 78 -11.686 -6.776 -10.414 1.00 2.83 H new ATOM 0 HH22 ARG B 78 -11.875 -5.238 -11.263 1.00 2.83 H new ATOM 2837 N LEU B 79 -6.753 -4.622 -2.879 1.00 0.42 N ATOM 2838 CA LEU B 79 -6.163 -3.698 -1.917 1.00 0.45 C ATOM 2839 C LEU B 79 -4.936 -3.065 -2.552 1.00 0.46 C ATOM 2840 O LEU B 79 -4.556 -1.940 -2.228 1.00 0.53 O ATOM 2841 CB LEU B 79 -5.697 -4.395 -0.620 1.00 0.53 C ATOM 2842 CG LEU B 79 -6.338 -5.732 -0.208 1.00 0.62 C ATOM 2843 CD1 LEU B 79 -5.240 -6.726 0.163 1.00 1.23 C ATOM 2844 CD2 LEU B 79 -7.247 -5.540 0.992 1.00 0.88 C ATOM 0 H LEU B 79 -6.605 -5.609 -2.667 1.00 0.42 H new ATOM 0 HA LEU B 79 -6.931 -2.969 -1.658 1.00 0.45 H new ATOM 0 HB2 LEU B 79 -4.623 -4.560 -0.705 1.00 0.53 H new ATOM 0 HB3 LEU B 79 -5.848 -3.693 0.201 1.00 0.53 H new ATOM 0 HG LEU B 79 -6.925 -6.109 -1.046 1.00 0.62 H new ATOM 0 HD11 LEU B 79 -5.691 -7.674 0.455 1.00 1.23 H new ATOM 0 HD12 LEU B 79 -4.587 -6.884 -0.695 1.00 1.23 H new ATOM 0 HD13 LEU B 79 -4.657 -6.330 0.994 1.00 1.23 H new ATOM 0 HD21 LEU B 79 -7.691 -6.496 1.269 1.00 0.88 H new ATOM 0 HD22 LEU B 79 -6.667 -5.153 1.830 1.00 0.88 H new ATOM 0 HD23 LEU B 79 -8.037 -4.832 0.741 1.00 0.88 H new ATOM 2856 N ILE B 80 -4.322 -3.816 -3.461 1.00 0.44 N ATOM 2857 CA ILE B 80 -3.119 -3.391 -4.148 1.00 0.48 C ATOM 2858 C ILE B 80 -3.152 -1.894 -4.505 1.00 0.48 C ATOM 2859 O ILE B 80 -2.229 -1.152 -4.170 1.00 0.51 O ATOM 2860 CB ILE B 80 -2.885 -4.284 -5.408 1.00 0.52 C ATOM 2861 CG1 ILE B 80 -1.388 -4.463 -5.646 1.00 0.59 C ATOM 2862 CG2 ILE B 80 -3.554 -3.711 -6.658 1.00 0.55 C ATOM 2863 CD1 ILE B 80 -0.677 -5.150 -4.499 1.00 1.16 C ATOM 0 H ILE B 80 -4.651 -4.740 -3.739 1.00 0.44 H new ATOM 0 HA ILE B 80 -2.276 -3.520 -3.470 1.00 0.48 H new ATOM 0 HB ILE B 80 -3.345 -5.253 -5.213 1.00 0.52 H new ATOM 0 HG12 ILE B 80 -1.239 -5.043 -6.557 1.00 0.59 H new ATOM 0 HG13 ILE B 80 -0.934 -3.486 -5.813 1.00 0.59 H new ATOM 0 HG21 ILE B 80 -3.362 -4.368 -7.507 1.00 0.55 H new ATOM 0 HG22 ILE B 80 -4.629 -3.635 -6.493 1.00 0.55 H new ATOM 0 HG23 ILE B 80 -3.148 -2.721 -6.866 1.00 0.55 H new ATOM 0 HD11 ILE B 80 0.383 -5.246 -4.733 1.00 1.16 H new ATOM 0 HD12 ILE B 80 -0.796 -4.559 -3.591 1.00 1.16 H new ATOM 0 HD13 ILE B 80 -1.105 -6.141 -4.346 1.00 1.16 H new ATOM 2875 N GLY B 81 -4.213 -1.460 -5.176 1.00 0.47 N ATOM 2876 CA GLY B 81 -4.331 -0.062 -5.554 1.00 0.49 C ATOM 2877 C GLY B 81 -4.868 0.822 -4.439 1.00 0.43 C ATOM 2878 O GLY B 81 -4.900 2.045 -4.579 1.00 0.43 O ATOM 0 H GLY B 81 -4.993 -2.050 -5.465 1.00 0.47 H new ATOM 0 HA2 GLY B 81 -3.353 0.307 -5.861 1.00 0.49 H new ATOM 0 HA3 GLY B 81 -4.988 0.018 -6.420 1.00 0.49 H new ATOM 2882 N GLU B 82 -5.296 0.215 -3.331 1.00 0.42 N ATOM 2883 CA GLU B 82 -5.849 0.972 -2.215 1.00 0.39 C ATOM 2884 C GLU B 82 -4.761 1.555 -1.349 1.00 0.33 C ATOM 2885 O GLU B 82 -4.720 2.758 -1.105 1.00 0.34 O ATOM 2886 CB GLU B 82 -6.706 0.081 -1.360 1.00 0.44 C ATOM 2887 CG GLU B 82 -7.727 -0.715 -2.145 1.00 0.46 C ATOM 2888 CD GLU B 82 -8.737 0.168 -2.852 1.00 0.72 C ATOM 2889 OE1 GLU B 82 -9.655 0.679 -2.177 1.00 1.39 O ATOM 2890 OE2 GLU B 82 -8.606 0.352 -4.080 1.00 1.48 O ATOM 0 H GLU B 82 -5.269 -0.794 -3.186 1.00 0.42 H new ATOM 0 HA GLU B 82 -6.442 1.783 -2.637 1.00 0.39 H new ATOM 0 HB2 GLU B 82 -6.064 -0.608 -0.812 1.00 0.44 H new ATOM 0 HB3 GLU B 82 -7.224 0.691 -0.620 1.00 0.44 H new ATOM 0 HG2 GLU B 82 -7.213 -1.333 -2.881 1.00 0.46 H new ATOM 0 HG3 GLU B 82 -8.251 -1.392 -1.470 1.00 0.46 H new ATOM 2897 N LEU B 83 -3.883 0.685 -0.858 1.00 0.34 N ATOM 2898 CA LEU B 83 -2.787 1.122 -0.015 1.00 0.35 C ATOM 2899 C LEU B 83 -2.044 2.241 -0.700 1.00 0.34 C ATOM 2900 O LEU B 83 -1.402 3.071 -0.055 1.00 0.41 O ATOM 2901 CB LEU B 83 -1.836 -0.034 0.284 1.00 0.43 C ATOM 2902 CG LEU B 83 -2.348 -1.036 1.313 1.00 0.50 C ATOM 2903 CD1 LEU B 83 -3.491 -1.856 0.735 1.00 1.27 C ATOM 2904 CD2 LEU B 83 -1.219 -1.938 1.778 1.00 1.31 C ATOM 0 H LEU B 83 -3.913 -0.320 -1.031 1.00 0.34 H new ATOM 0 HA LEU B 83 -3.193 1.479 0.932 1.00 0.35 H new ATOM 0 HB2 LEU B 83 -1.628 -0.564 -0.645 1.00 0.43 H new ATOM 0 HB3 LEU B 83 -0.889 0.375 0.637 1.00 0.43 H new ATOM 0 HG LEU B 83 -2.726 -0.487 2.176 1.00 0.50 H new ATOM 0 HD11 LEU B 83 -3.844 -2.566 1.483 1.00 1.27 H new ATOM 0 HD12 LEU B 83 -4.308 -1.192 0.451 1.00 1.27 H new ATOM 0 HD13 LEU B 83 -3.142 -2.398 -0.144 1.00 1.27 H new ATOM 0 HD21 LEU B 83 -1.599 -2.648 2.512 1.00 1.31 H new ATOM 0 HD22 LEU B 83 -0.812 -2.481 0.925 1.00 1.31 H new ATOM 0 HD23 LEU B 83 -0.433 -1.333 2.231 1.00 1.31 H new ATOM 2916 N ALA B 84 -2.140 2.258 -2.020 1.00 0.34 N ATOM 2917 CA ALA B 84 -1.491 3.299 -2.781 1.00 0.37 C ATOM 2918 C ALA B 84 -2.277 4.599 -2.697 1.00 0.41 C ATOM 2919 O ALA B 84 -1.706 5.685 -2.786 1.00 0.47 O ATOM 2920 CB ALA B 84 -1.319 2.880 -4.222 1.00 0.41 C ATOM 0 H ALA B 84 -2.653 1.573 -2.574 1.00 0.34 H new ATOM 0 HA ALA B 84 -0.504 3.466 -2.350 1.00 0.37 H new ATOM 0 HB1 ALA B 84 -0.828 3.679 -4.777 1.00 0.41 H new ATOM 0 HB2 ALA B 84 -0.709 1.978 -4.268 1.00 0.41 H new ATOM 0 HB3 ALA B 84 -2.296 2.680 -4.662 1.00 0.41 H new ATOM 2926 N LYS B 85 -3.594 4.484 -2.524 1.00 0.42 N ATOM 2927 CA LYS B 85 -4.448 5.663 -2.394 1.00 0.51 C ATOM 2928 C LYS B 85 -3.880 6.603 -1.347 1.00 0.50 C ATOM 2929 O LYS B 85 -4.147 7.805 -1.359 1.00 0.67 O ATOM 2930 CB LYS B 85 -5.880 5.258 -2.034 1.00 0.62 C ATOM 2931 CG LYS B 85 -6.933 5.930 -2.902 1.00 1.19 C ATOM 2932 CD LYS B 85 -7.103 5.202 -4.223 1.00 1.44 C ATOM 2933 CE LYS B 85 -7.949 3.954 -4.050 1.00 1.56 C ATOM 2934 NZ LYS B 85 -7.565 2.881 -5.008 1.00 2.69 N ATOM 0 H LYS B 85 -4.089 3.594 -2.471 1.00 0.42 H new ATOM 0 HA LYS B 85 -4.475 6.181 -3.353 1.00 0.51 H new ATOM 0 HB2 LYS B 85 -5.978 4.177 -2.128 1.00 0.62 H new ATOM 0 HB3 LYS B 85 -6.068 5.506 -0.989 1.00 0.62 H new ATOM 0 HG2 LYS B 85 -7.885 5.953 -2.371 1.00 1.19 H new ATOM 0 HG3 LYS B 85 -6.647 6.965 -3.089 1.00 1.19 H new ATOM 0 HD2 LYS B 85 -7.571 5.865 -4.950 1.00 1.44 H new ATOM 0 HD3 LYS B 85 -6.125 4.931 -4.622 1.00 1.44 H new ATOM 0 HE2 LYS B 85 -7.844 3.584 -3.030 1.00 1.56 H new ATOM 0 HE3 LYS B 85 -9.000 4.206 -4.191 1.00 1.56 H new ATOM 0 HZ1 LYS B 85 -8.084 2.009 -4.779 1.00 2.69 H new ATOM 0 HZ2 LYS B 85 -7.800 3.179 -5.976 1.00 2.69 H new ATOM 0 HZ3 LYS B 85 -6.543 2.704 -4.939 1.00 2.69 H new ATOM 2948 N GLU B 86 -3.094 6.042 -0.440 1.00 0.44 N ATOM 2949 CA GLU B 86 -2.456 6.825 0.594 1.00 0.45 C ATOM 2950 C GLU B 86 -1.209 7.483 0.032 1.00 0.44 C ATOM 2951 O GLU B 86 -1.029 8.698 0.116 1.00 0.48 O ATOM 2952 CB GLU B 86 -2.035 5.941 1.771 1.00 0.48 C ATOM 2953 CG GLU B 86 -2.996 4.817 2.115 1.00 0.98 C ATOM 2954 CD GLU B 86 -2.317 3.739 2.939 1.00 2.07 C ATOM 2955 OE1 GLU B 86 -1.505 4.091 3.821 1.00 2.90 O ATOM 2956 OE2 GLU B 86 -2.584 2.545 2.696 1.00 2.60 O ATOM 0 H GLU B 86 -2.886 5.044 -0.404 1.00 0.44 H new ATOM 0 HA GLU B 86 -3.170 7.572 0.939 1.00 0.45 H new ATOM 0 HB2 GLU B 86 -1.060 5.508 1.548 1.00 0.48 H new ATOM 0 HB3 GLU B 86 -1.910 6.572 2.651 1.00 0.48 H new ATOM 0 HG2 GLU B 86 -3.845 5.219 2.668 1.00 0.98 H new ATOM 0 HG3 GLU B 86 -3.391 4.381 1.198 1.00 0.98 H new ATOM 2963 N VAL B 87 -0.351 6.646 -0.539 1.00 0.44 N ATOM 2964 CA VAL B 87 0.901 7.093 -1.120 1.00 0.46 C ATOM 2965 C VAL B 87 0.690 7.897 -2.405 1.00 0.46 C ATOM 2966 O VAL B 87 1.641 8.446 -2.960 1.00 0.54 O ATOM 2967 CB VAL B 87 1.830 5.893 -1.387 1.00 0.55 C ATOM 2968 CG1 VAL B 87 3.111 6.350 -2.057 1.00 1.01 C ATOM 2969 CG2 VAL B 87 2.116 5.162 -0.084 1.00 0.81 C ATOM 0 H VAL B 87 -0.507 5.640 -0.610 1.00 0.44 H new ATOM 0 HA VAL B 87 1.372 7.757 -0.395 1.00 0.46 H new ATOM 0 HB VAL B 87 1.333 5.200 -2.066 1.00 0.55 H new ATOM 0 HG11 VAL B 87 3.754 5.489 -2.238 1.00 1.01 H new ATOM 0 HG12 VAL B 87 2.874 6.831 -3.006 1.00 1.01 H new ATOM 0 HG13 VAL B 87 3.627 7.059 -1.410 1.00 1.01 H new ATOM 0 HG21 VAL B 87 2.773 4.315 -0.279 1.00 0.81 H new ATOM 0 HG22 VAL B 87 2.600 5.843 0.617 1.00 0.81 H new ATOM 0 HG23 VAL B 87 1.180 4.804 0.345 1.00 0.81 H new ATOM 2979 N ARG B 88 -0.554 7.981 -2.868 1.00 0.49 N ATOM 2980 CA ARG B 88 -0.861 8.719 -4.085 1.00 0.51 C ATOM 2981 C ARG B 88 -0.573 10.209 -3.913 1.00 0.50 C ATOM 2982 O ARG B 88 0.393 10.720 -4.473 1.00 0.58 O ATOM 2983 CB ARG B 88 -2.319 8.483 -4.481 1.00 0.56 C ATOM 2984 CG ARG B 88 -2.584 8.651 -5.968 1.00 0.67 C ATOM 2985 CD ARG B 88 -2.240 10.052 -6.444 1.00 1.33 C ATOM 2986 NE ARG B 88 -2.520 10.227 -7.866 1.00 1.83 N ATOM 2987 CZ ARG B 88 -2.252 11.342 -8.538 1.00 2.72 C ATOM 2988 NH1 ARG B 88 -1.698 12.374 -7.918 1.00 3.25 N ATOM 2989 NH2 ARG B 88 -2.537 11.422 -9.830 1.00 3.50 N ATOM 0 H ARG B 88 -1.362 7.548 -2.420 1.00 0.49 H new ATOM 0 HA ARG B 88 -0.218 8.354 -4.886 1.00 0.51 H new ATOM 0 HB2 ARG B 88 -2.609 7.476 -4.181 1.00 0.56 H new ATOM 0 HB3 ARG B 88 -2.953 9.176 -3.928 1.00 0.56 H new ATOM 0 HG2 ARG B 88 -1.997 7.922 -6.527 1.00 0.67 H new ATOM 0 HG3 ARG B 88 -3.633 8.443 -6.177 1.00 0.67 H new ATOM 0 HD2 ARG B 88 -2.811 10.781 -5.869 1.00 1.33 H new ATOM 0 HD3 ARG B 88 -1.185 10.251 -6.254 1.00 1.33 H new ATOM 0 HE ARG B 88 -2.945 9.450 -8.372 1.00 1.83 H new ATOM 0 HH11 ARG B 88 -1.477 12.313 -6.924 1.00 3.25 H new ATOM 0 HH12 ARG B 88 -1.493 13.229 -8.435 1.00 3.25 H new ATOM 0 HH21 ARG B 88 -2.962 10.628 -10.309 1.00 3.50 H new ATOM 0 HH22 ARG B 88 -2.331 12.278 -10.346 1.00 3.50 H new ATOM 3003 N LYS B 89 -1.402 10.904 -3.143 1.00 0.47 N ATOM 3004 CA LYS B 89 -1.195 12.332 -2.906 1.00 0.49 C ATOM 3005 C LYS B 89 0.110 12.536 -2.180 1.00 0.48 C ATOM 3006 O LYS B 89 0.893 13.440 -2.464 1.00 0.53 O ATOM 3007 CB LYS B 89 -2.316 12.899 -2.031 1.00 0.56 C ATOM 3008 CG LYS B 89 -2.211 12.533 -0.535 1.00 0.69 C ATOM 3009 CD LYS B 89 -3.226 13.305 0.289 1.00 1.55 C ATOM 3010 CE LYS B 89 -2.573 13.869 1.538 1.00 2.46 C ATOM 3011 NZ LYS B 89 -1.677 15.013 1.227 1.00 3.29 N ATOM 0 H LYS B 89 -2.217 10.509 -2.675 1.00 0.47 H new ATOM 0 HA LYS B 89 -1.186 12.841 -3.870 1.00 0.49 H new ATOM 0 HB2 LYS B 89 -2.320 13.985 -2.127 1.00 0.56 H new ATOM 0 HB3 LYS B 89 -3.273 12.542 -2.413 1.00 0.56 H new ATOM 0 HG2 LYS B 89 -2.373 11.463 -0.407 1.00 0.69 H new ATOM 0 HG3 LYS B 89 -1.205 12.749 -0.174 1.00 0.69 H new ATOM 0 HD2 LYS B 89 -3.647 14.115 -0.307 1.00 1.55 H new ATOM 0 HD3 LYS B 89 -4.052 12.651 0.567 1.00 1.55 H new ATOM 0 HE2 LYS B 89 -3.345 14.192 2.237 1.00 2.46 H new ATOM 0 HE3 LYS B 89 -2.001 13.085 2.034 1.00 2.46 H new ATOM 0 HZ1 LYS B 89 -0.777 14.897 1.734 1.00 3.29 H new ATOM 0 HZ2 LYS B 89 -1.496 15.044 0.203 1.00 3.29 H new ATOM 0 HZ3 LYS B 89 -2.130 15.900 1.526 1.00 3.29 H new ATOM 3025 N GLU B 90 0.300 11.655 -1.224 1.00 0.47 N ATOM 3026 CA GLU B 90 1.439 11.662 -0.358 1.00 0.52 C ATOM 3027 C GLU B 90 2.740 11.786 -1.140 1.00 0.56 C ATOM 3028 O GLU B 90 3.760 12.187 -0.589 1.00 0.62 O ATOM 3029 CB GLU B 90 1.360 10.410 0.497 1.00 0.56 C ATOM 3030 CG GLU B 90 0.339 10.547 1.615 1.00 0.62 C ATOM 3031 CD GLU B 90 0.731 11.615 2.619 1.00 1.24 C ATOM 3032 OE1 GLU B 90 1.473 11.292 3.572 1.00 1.93 O ATOM 3033 OE2 GLU B 90 0.301 12.775 2.451 1.00 1.93 O ATOM 0 H GLU B 90 -0.355 10.898 -1.029 1.00 0.47 H new ATOM 0 HA GLU B 90 1.432 12.537 0.292 1.00 0.52 H new ATOM 0 HB2 GLU B 90 1.098 9.558 -0.131 1.00 0.56 H new ATOM 0 HB3 GLU B 90 2.340 10.201 0.925 1.00 0.56 H new ATOM 0 HG2 GLU B 90 -0.634 10.791 1.189 1.00 0.62 H new ATOM 0 HG3 GLU B 90 0.232 9.591 2.127 1.00 0.62 H new ATOM 3040 N LYS B 91 2.704 11.452 -2.426 1.00 0.54 N ATOM 3041 CA LYS B 91 3.885 11.588 -3.260 1.00 0.61 C ATOM 3042 C LYS B 91 4.307 13.049 -3.332 1.00 0.63 C ATOM 3043 O LYS B 91 5.474 13.385 -3.133 1.00 0.70 O ATOM 3044 CB LYS B 91 3.632 11.050 -4.666 1.00 0.62 C ATOM 3045 CG LYS B 91 2.781 11.955 -5.545 1.00 0.61 C ATOM 3046 CD LYS B 91 2.444 11.284 -6.867 1.00 0.67 C ATOM 3047 CE LYS B 91 1.602 12.186 -7.754 1.00 0.70 C ATOM 3048 NZ LYS B 91 1.266 11.534 -9.051 1.00 1.38 N ATOM 0 H LYS B 91 1.880 11.090 -2.905 1.00 0.54 H new ATOM 0 HA LYS B 91 4.686 11.002 -2.810 1.00 0.61 H new ATOM 0 HB2 LYS B 91 4.591 10.886 -5.157 1.00 0.62 H new ATOM 0 HB3 LYS B 91 3.144 10.078 -4.587 1.00 0.62 H new ATOM 0 HG2 LYS B 91 1.861 12.213 -5.021 1.00 0.61 H new ATOM 0 HG3 LYS B 91 3.313 12.887 -5.733 1.00 0.61 H new ATOM 0 HD2 LYS B 91 3.365 11.019 -7.386 1.00 0.67 H new ATOM 0 HD3 LYS B 91 1.907 10.355 -6.677 1.00 0.67 H new ATOM 0 HE2 LYS B 91 0.683 12.452 -7.233 1.00 0.70 H new ATOM 0 HE3 LYS B 91 2.141 13.114 -7.943 1.00 0.70 H new ATOM 0 HZ1 LYS B 91 0.691 12.182 -9.627 1.00 1.38 H new ATOM 0 HZ2 LYS B 91 2.143 11.303 -9.561 1.00 1.38 H new ATOM 0 HZ3 LYS B 91 0.729 10.661 -8.872 1.00 1.38 H new ATOM 3062 N ALA B 92 3.338 13.910 -3.619 1.00 0.60 N ATOM 3063 CA ALA B 92 3.594 15.343 -3.730 1.00 0.65 C ATOM 3064 C ALA B 92 3.643 16.037 -2.375 1.00 0.63 C ATOM 3065 O ALA B 92 4.403 16.988 -2.196 1.00 0.69 O ATOM 3066 CB ALA B 92 2.550 15.996 -4.622 1.00 0.73 C ATOM 0 H ALA B 92 2.367 13.642 -3.779 1.00 0.60 H new ATOM 0 HA ALA B 92 4.580 15.458 -4.180 1.00 0.65 H new ATOM 0 HB1 ALA B 92 2.752 17.064 -4.697 1.00 0.73 H new ATOM 0 HB2 ALA B 92 2.589 15.549 -5.615 1.00 0.73 H new ATOM 0 HB3 ALA B 92 1.559 15.843 -4.194 1.00 0.73 H new ATOM 3072 N LEU B 93 2.842 15.579 -1.420 1.00 0.62 N ATOM 3073 CA LEU B 93 2.836 16.208 -0.106 1.00 0.65 C ATOM 3074 C LEU B 93 4.036 15.778 0.717 1.00 0.59 C ATOM 3075 O LEU B 93 4.418 16.464 1.664 1.00 0.63 O ATOM 3076 CB LEU B 93 1.568 15.900 0.675 1.00 0.74 C ATOM 3077 CG LEU B 93 1.480 16.645 2.007 1.00 0.81 C ATOM 3078 CD1 LEU B 93 0.247 17.533 2.048 1.00 1.03 C ATOM 3079 CD2 LEU B 93 1.481 15.667 3.174 1.00 0.95 C ATOM 0 H LEU B 93 2.202 14.792 -1.526 1.00 0.62 H new ATOM 0 HA LEU B 93 2.881 17.282 -0.286 1.00 0.65 H new ATOM 0 HB2 LEU B 93 0.702 16.158 0.065 1.00 0.74 H new ATOM 0 HB3 LEU B 93 1.517 14.828 0.863 1.00 0.74 H new ATOM 0 HG LEU B 93 2.360 17.282 2.098 1.00 0.81 H new ATOM 0 HD11 LEU B 93 0.205 18.053 3.005 1.00 1.03 H new ATOM 0 HD12 LEU B 93 0.297 18.263 1.240 1.00 1.03 H new ATOM 0 HD13 LEU B 93 -0.647 16.920 1.929 1.00 1.03 H new ATOM 0 HD21 LEU B 93 1.418 16.219 4.112 1.00 0.95 H new ATOM 0 HD22 LEU B 93 0.625 14.998 3.089 1.00 0.95 H new ATOM 0 HD23 LEU B 93 2.401 15.083 3.158 1.00 0.95 H new ATOM 3091 N GLY B 94 4.628 14.636 0.364 1.00 0.53 N ATOM 3092 CA GLY B 94 5.793 14.157 1.090 1.00 0.51 C ATOM 3093 C GLY B 94 6.772 15.271 1.352 1.00 0.52 C ATOM 3094 O GLY B 94 7.376 15.353 2.421 1.00 0.57 O ATOM 0 H GLY B 94 4.324 14.039 -0.405 1.00 0.53 H new ATOM 0 HA2 GLY B 94 5.479 13.717 2.036 1.00 0.51 H new ATOM 0 HA3 GLY B 94 6.281 13.368 0.518 1.00 0.51 H new ATOM 3098 N ILE B 95 6.923 16.128 0.351 1.00 0.53 N ATOM 3099 CA ILE B 95 7.828 17.250 0.459 1.00 0.57 C ATOM 3100 C ILE B 95 7.304 18.267 1.443 1.00 0.60 C ATOM 3101 O ILE B 95 6.949 19.386 1.076 1.00 0.67 O ATOM 3102 CB ILE B 95 8.096 17.938 -0.887 1.00 0.63 C ATOM 3103 CG1 ILE B 95 6.827 18.009 -1.741 1.00 1.32 C ATOM 3104 CG2 ILE B 95 9.208 17.222 -1.607 1.00 1.13 C ATOM 3105 CD1 ILE B 95 6.955 18.923 -2.941 1.00 1.68 C ATOM 0 H ILE B 95 6.430 16.063 -0.539 1.00 0.53 H new ATOM 0 HA ILE B 95 8.774 16.840 0.814 1.00 0.57 H new ATOM 0 HB ILE B 95 8.406 18.966 -0.701 1.00 0.63 H new ATOM 0 HG12 ILE B 95 6.573 17.006 -2.084 1.00 1.32 H new ATOM 0 HG13 ILE B 95 6.000 18.352 -1.120 1.00 1.32 H new ATOM 0 HG21 ILE B 95 9.397 17.711 -2.562 1.00 1.13 H new ATOM 0 HG22 ILE B 95 10.112 17.250 -0.999 1.00 1.13 H new ATOM 0 HG23 ILE B 95 8.920 16.185 -1.781 1.00 1.13 H new ATOM 0 HD11 ILE B 95 6.019 18.924 -3.499 1.00 1.68 H new ATOM 0 HD12 ILE B 95 7.178 19.936 -2.605 1.00 1.68 H new ATOM 0 HD13 ILE B 95 7.760 18.568 -3.584 1.00 1.68 H new ATOM 3117 N ARG B 96 7.247 17.859 2.696 1.00 0.64 N ATOM 3118 CA ARG B 96 6.795 18.743 3.749 1.00 0.74 C ATOM 3119 C ARG B 96 7.948 19.650 4.109 1.00 0.82 C ATOM 3120 O ARG B 96 7.765 20.813 4.468 1.00 0.93 O ATOM 3121 CB ARG B 96 6.315 17.952 4.967 1.00 0.84 C ATOM 3122 CG ARG B 96 4.924 17.368 4.797 1.00 1.65 C ATOM 3123 CD ARG B 96 3.855 18.419 5.045 1.00 2.45 C ATOM 3124 NE ARG B 96 3.767 18.790 6.454 1.00 2.91 N ATOM 3125 CZ ARG B 96 2.870 19.644 6.939 1.00 3.85 C ATOM 3126 NH1 ARG B 96 1.986 20.214 6.130 1.00 4.47 N ATOM 3127 NH2 ARG B 96 2.855 19.930 8.233 1.00 4.48 N ATOM 0 H ARG B 96 7.508 16.923 3.008 1.00 0.64 H new ATOM 0 HA ARG B 96 5.944 19.332 3.406 1.00 0.74 H new ATOM 0 HB2 ARG B 96 7.018 17.144 5.166 1.00 0.84 H new ATOM 0 HB3 ARG B 96 6.323 18.604 5.841 1.00 0.84 H new ATOM 0 HG2 ARG B 96 4.816 16.966 3.790 1.00 1.65 H new ATOM 0 HG3 ARG B 96 4.788 16.537 5.489 1.00 1.65 H new ATOM 0 HD2 ARG B 96 4.074 19.306 4.450 1.00 2.45 H new ATOM 0 HD3 ARG B 96 2.890 18.040 4.709 1.00 2.45 H new ATOM 0 HE ARG B 96 4.432 18.370 7.104 1.00 2.91 H new ATOM 0 HH11 ARG B 96 1.993 19.998 5.133 1.00 4.47 H new ATOM 0 HH12 ARG B 96 1.299 20.868 6.505 1.00 4.47 H new ATOM 0 HH21 ARG B 96 3.532 19.495 8.859 1.00 4.48 H new ATOM 0 HH22 ARG B 96 2.166 20.585 8.603 1.00 4.48 H new ATOM 3141 N LYS B 97 9.150 19.092 4.006 1.00 0.82 N ATOM 3142 CA LYS B 97 10.353 19.846 4.256 1.00 0.94 C ATOM 3143 C LYS B 97 10.586 20.786 3.085 1.00 0.93 C ATOM 3144 O LYS B 97 11.348 20.489 2.168 1.00 0.98 O ATOM 3145 CB LYS B 97 11.545 18.903 4.448 1.00 1.07 C ATOM 3146 CG LYS B 97 11.697 17.889 3.326 1.00 1.00 C ATOM 3147 CD LYS B 97 12.865 18.222 2.423 1.00 1.56 C ATOM 3148 CE LYS B 97 12.517 17.928 0.981 1.00 1.83 C ATOM 3149 NZ LYS B 97 13.712 17.516 0.193 1.00 2.90 N ATOM 0 H LYS B 97 9.307 18.117 3.750 1.00 0.82 H new ATOM 0 HA LYS B 97 10.245 20.427 5.172 1.00 0.94 H new ATOM 0 HB2 LYS B 97 12.458 19.493 4.521 1.00 1.07 H new ATOM 0 HB3 LYS B 97 11.432 18.373 5.394 1.00 1.07 H new ATOM 0 HG2 LYS B 97 11.838 16.895 3.751 1.00 1.00 H new ATOM 0 HG3 LYS B 97 10.780 17.857 2.738 1.00 1.00 H new ATOM 0 HD2 LYS B 97 13.129 19.274 2.533 1.00 1.56 H new ATOM 0 HD3 LYS B 97 13.739 17.641 2.719 1.00 1.56 H new ATOM 0 HE2 LYS B 97 11.767 17.138 0.943 1.00 1.83 H new ATOM 0 HE3 LYS B 97 12.071 18.813 0.528 1.00 1.83 H new ATOM 0 HZ1 LYS B 97 13.428 17.307 -0.785 1.00 2.90 H new ATOM 0 HZ2 LYS B 97 14.411 18.286 0.194 1.00 2.90 H new ATOM 0 HZ3 LYS B 97 14.133 16.666 0.620 1.00 2.90 H new ATOM 3163 N LYS B 98 9.902 21.922 3.124 1.00 0.96 N ATOM 3164 CA LYS B 98 9.997 22.913 2.065 1.00 1.06 C ATOM 3165 C LYS B 98 10.718 24.167 2.550 1.00 1.21 C ATOM 3166 O LYS B 98 11.954 24.237 2.389 1.00 1.61 O ATOM 3167 CB LYS B 98 8.594 23.265 1.562 1.00 1.07 C ATOM 3168 CG LYS B 98 7.814 22.071 1.020 1.00 1.07 C ATOM 3169 CD LYS B 98 8.337 21.627 -0.333 1.00 1.52 C ATOM 3170 CE LYS B 98 8.176 22.715 -1.377 1.00 2.00 C ATOM 3171 NZ LYS B 98 6.778 23.225 -1.436 1.00 2.73 N ATOM 3172 OXT LYS B 98 10.040 25.068 3.088 1.00 1.70 O ATOM 0 H LYS B 98 9.272 22.179 3.884 1.00 0.96 H new ATOM 0 HA LYS B 98 10.578 22.491 1.245 1.00 1.06 H new ATOM 0 HB2 LYS B 98 8.029 23.716 2.378 1.00 1.07 H new ATOM 0 HB3 LYS B 98 8.678 24.018 0.778 1.00 1.07 H new ATOM 0 HG2 LYS B 98 7.880 21.243 1.725 1.00 1.07 H new ATOM 0 HG3 LYS B 98 6.760 22.334 0.934 1.00 1.07 H new ATOM 0 HD2 LYS B 98 9.390 21.358 -0.246 1.00 1.52 H new ATOM 0 HD3 LYS B 98 7.804 20.732 -0.654 1.00 1.52 H new ATOM 0 HE2 LYS B 98 8.854 23.538 -1.151 1.00 2.00 H new ATOM 0 HE3 LYS B 98 8.462 22.326 -2.354 1.00 2.00 H new ATOM 0 HZ1 LYS B 98 6.649 23.784 -2.303 1.00 2.73 H new ATOM 0 HZ2 LYS B 98 6.116 22.423 -1.439 1.00 2.73 H new ATOM 0 HZ3 LYS B 98 6.592 23.824 -0.607 1.00 2.73 H new TER 3186 LYS B 98