USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 970 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 6 LYS NZ :NH3+ -136:sc= 1.65 (180deg=-0.254) USER MOD Set 1.2: B 10 ASN : amide:sc= 0.191 K(o=2.6,f=-5.6!) USER MOD Set 1.3: B 49 TYR OH : rot 180:sc= 0.797 USER MOD Set 2.1: A 18 GLN : amide:sc= -2.35 K(o=-5.2,f=-8.2!) USER MOD Set 2.2: B 18 GLN :FLIP amide:sc= -2.85! C(o=-5.7!,f=-5.2!) USER MOD Set 3.1: A 52 CYS SG : rot -85:sc= -0.849 USER MOD Set 3.2: B 34 GLN :FLIP amide:sc= -0.939 F(o=-3.3!,f=-1.8) USER MOD Set 4.1: A 3 LYS NZ :NH3+ -151:sc= 0.949 (180deg=-0.497) USER MOD Set 4.2: A 4 GLN : amide:sc= 0.733 K(o=1.7,f=-9.2!) USER MOD Set 5.1: A 1 MET N :NH3+ -120:sc= -0.983 (180deg=-5.42!) USER MOD Set 5.2: A 2 THR OG1 : rot 106:sc= 0.33 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ -145:sc= -0.249 (180deg=-1.63) USER MOD Single : A 7 THR OG1 : rot -160:sc= 0.0332 USER MOD Single : A 10 ASN : amide:sc= 1.12 K(o=1.1,f=-9.1!) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0.0396 USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.358 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.0936 USER MOD Single : A 25 LYS NZ :NH3+ -126:sc= -4.08! (180deg=-4.56!) USER MOD Single : A 27 ASN : amide:sc= -0.101 X(o=-0.1,f=0) USER MOD Single : A 34 GLN :FLIP amide:sc= -4.19 F(o=-6!,f=-4.2) USER MOD Single : A 38 CYS SG : rot 48:sc= -1.74 USER MOD Single : A 40 SER OG : rot 180:sc= 0.0334 USER MOD Single : A 42 HIS : no HE2:sc= -5.67! C(o=-5.7!,f=-11!) USER MOD Single : A 44 HIS : no HE2:sc= -0.69! C(o=-0.69!,f=-4.8!) USER MOD Single : A 49 TYR OH : rot 180:sc= -0.836 USER MOD Single : A 51 SER OG : rot 171:sc= 0.0518 USER MOD Single : A 62 ASN :FLIP amide:sc= -0.715 F(o=-3.1!,f=-0.72) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ -136:sc= -1.9 (180deg=-4.11!) USER MOD Single : B 2 THR OG1 : rot 180:sc= 0.107 USER MOD Single : B 3 LYS NZ :NH3+ -139:sc= -0.107 (180deg=-0.594) USER MOD Single : B 4 GLN : amide:sc= -2.41! C(o=-2.4!,f=-8.6!) USER MOD Single : B 7 THR OG1 : rot 180:sc= 0.016 USER MOD Single : B 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 17 SER OG : rot -98:sc= -0.251 USER MOD Single : B 19 THR OG1 : rot 180:sc= 0.0249 USER MOD Single : B 21 THR OG1 : rot 180:sc=-0.00688 USER MOD Single : B 25 LYS NZ :NH3+ -110:sc= -2.26! (180deg=-6.68!) USER MOD Single : B 27 ASN : amide:sc= 0.358 K(o=0.36,f=-0.78) USER MOD Single : B 38 CYS SG : rot -77:sc= -0.999 USER MOD Single : B 40 SER OG : rot -137:sc= -1.32 USER MOD Single : B 42 HIS : no HE2:sc= -2.96 K(o=-3,f=-3.7!) USER MOD Single : B 44 HIS : no HD1:sc= -0.485 K(o=-0.49,f=-2.3) USER MOD Single : B 51 SER OG : rot 179:sc= -0.992 USER MOD Single : B 52 CYS SG : rot 66:sc= -2.31 USER MOD Single : B 62 ASN :FLIP amide:sc= -0.488 F(o=-3.6!,f=-0.49) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -20.837 3.843 0.999 1.00 3.37 N ATOM 2 CA MET A 1 -22.052 3.164 0.474 1.00 3.57 C ATOM 3 C MET A 1 -22.187 3.517 -1.000 1.00 3.47 C ATOM 4 O MET A 1 -22.942 4.404 -1.346 1.00 4.06 O ATOM 5 CB MET A 1 -23.317 3.637 1.196 1.00 3.97 C ATOM 6 CG MET A 1 -23.274 3.166 2.657 1.00 4.33 C ATOM 7 SD MET A 1 -23.317 1.380 2.954 1.00 4.83 S ATOM 8 CE MET A 1 -25.117 1.189 2.998 1.00 5.37 C ATOM 0 H1 MET A 1 -20.170 3.131 1.359 1.00 3.37 H new ATOM 0 H2 MET A 1 -20.385 4.386 0.235 1.00 3.37 H new ATOM 0 H3 MET A 1 -21.105 4.487 1.770 1.00 3.37 H new ATOM 0 HA MET A 1 -21.947 2.090 0.629 1.00 3.57 H new ATOM 0 HB2 MET A 1 -23.388 4.724 1.154 1.00 3.97 H new ATOM 0 HB3 MET A 1 -24.203 3.240 0.700 1.00 3.97 H new ATOM 0 HG2 MET A 1 -22.367 3.562 3.113 1.00 4.33 H new ATOM 0 HG3 MET A 1 -24.117 3.616 3.182 1.00 4.33 H new ATOM 0 HE1 MET A 1 -25.368 0.143 3.174 1.00 5.37 H new ATOM 0 HE2 MET A 1 -25.528 1.800 3.801 1.00 5.37 H new ATOM 0 HE3 MET A 1 -25.540 1.509 2.046 1.00 5.37 H new ATOM 20 N THR A 2 -21.470 2.826 -1.841 1.00 2.92 N ATOM 21 CA THR A 2 -21.556 3.125 -3.293 1.00 2.99 C ATOM 22 C THR A 2 -21.679 1.775 -4.009 1.00 2.72 C ATOM 23 O THR A 2 -21.480 0.750 -3.392 1.00 2.84 O ATOM 24 CB THR A 2 -20.278 3.865 -3.671 1.00 3.22 C ATOM 25 OG1 THR A 2 -20.125 4.784 -2.598 1.00 3.49 O ATOM 26 CG2 THR A 2 -20.498 4.768 -4.898 1.00 4.02 C ATOM 0 H THR A 2 -20.832 2.072 -1.586 1.00 2.92 H new ATOM 0 HA THR A 2 -22.408 3.748 -3.567 1.00 2.99 H new ATOM 0 HB THR A 2 -19.463 3.167 -3.863 1.00 3.22 H new ATOM 0 HG1 THR A 2 -19.402 4.482 -2.009 1.00 3.49 H new ATOM 0 HG21 THR A 2 -19.569 5.282 -5.143 1.00 4.02 H new ATOM 0 HG22 THR A 2 -20.810 4.159 -5.747 1.00 4.02 H new ATOM 0 HG23 THR A 2 -21.271 5.503 -4.675 1.00 4.02 H new ATOM 34 N LYS A 3 -22.003 1.775 -5.276 1.00 2.63 N ATOM 35 CA LYS A 3 -22.096 0.453 -5.950 1.00 2.60 C ATOM 36 C LYS A 3 -20.707 0.139 -6.482 1.00 2.17 C ATOM 37 O LYS A 3 -20.352 -1.005 -6.665 1.00 2.07 O ATOM 38 CB LYS A 3 -23.102 0.497 -7.118 1.00 3.03 C ATOM 39 CG LYS A 3 -22.661 1.494 -8.205 1.00 3.61 C ATOM 40 CD LYS A 3 -23.638 1.465 -9.401 1.00 3.98 C ATOM 41 CE LYS A 3 -23.772 0.030 -9.971 1.00 4.65 C ATOM 42 NZ LYS A 3 -22.443 -0.634 -10.105 1.00 4.95 N ATOM 0 H LYS A 3 -22.199 2.595 -5.850 1.00 2.63 H new ATOM 0 HA LYS A 3 -22.442 -0.308 -5.250 1.00 2.60 H new ATOM 0 HB2 LYS A 3 -23.200 -0.498 -7.553 1.00 3.03 H new ATOM 0 HB3 LYS A 3 -24.086 0.778 -6.742 1.00 3.03 H new ATOM 0 HG2 LYS A 3 -22.619 2.500 -7.787 1.00 3.61 H new ATOM 0 HG3 LYS A 3 -21.655 1.248 -8.545 1.00 3.61 H new ATOM 0 HD2 LYS A 3 -24.616 1.828 -9.086 1.00 3.98 H new ATOM 0 HD3 LYS A 3 -23.284 2.139 -10.181 1.00 3.98 H new ATOM 0 HE2 LYS A 3 -24.412 -0.563 -9.318 1.00 4.65 H new ATOM 0 HE3 LYS A 3 -24.260 0.069 -10.945 1.00 4.65 H new ATOM 0 HZ1 LYS A 3 -22.475 -1.320 -10.886 1.00 4.95 H new ATOM 0 HZ2 LYS A 3 -21.715 0.082 -10.302 1.00 4.95 H new ATOM 0 HZ3 LYS A 3 -22.211 -1.128 -9.220 1.00 4.95 H new ATOM 56 N GLN A 4 -19.951 1.178 -6.720 1.00 2.02 N ATOM 57 CA GLN A 4 -18.563 0.974 -7.221 1.00 1.74 C ATOM 58 C GLN A 4 -17.691 0.876 -5.983 1.00 1.34 C ATOM 59 O GLN A 4 -16.483 0.960 -6.051 1.00 1.25 O ATOM 60 CB GLN A 4 -18.086 2.172 -8.044 1.00 1.87 C ATOM 61 CG GLN A 4 -19.006 2.402 -9.239 1.00 2.66 C ATOM 62 CD GLN A 4 -18.974 1.144 -10.104 1.00 3.34 C ATOM 63 OE1 GLN A 4 -19.998 0.551 -10.386 1.00 3.63 O ATOM 64 NE2 GLN A 4 -17.825 0.704 -10.540 1.00 4.09 N ATOM 0 H GLN A 4 -20.232 2.150 -6.590 1.00 2.02 H new ATOM 0 HA GLN A 4 -18.516 0.089 -7.856 1.00 1.74 H new ATOM 0 HB2 GLN A 4 -18.063 3.064 -7.418 1.00 1.87 H new ATOM 0 HB3 GLN A 4 -17.067 2.000 -8.390 1.00 1.87 H new ATOM 0 HG2 GLN A 4 -20.022 2.609 -8.904 1.00 2.66 H new ATOM 0 HG3 GLN A 4 -18.677 3.268 -9.813 1.00 2.66 H new ATOM 0 HE21 GLN A 4 -16.966 1.201 -10.304 1.00 4.09 H new ATOM 0 HE22 GLN A 4 -17.786 -0.136 -11.117 1.00 4.09 H new ATOM 73 N GLU A 5 -18.353 0.704 -4.880 1.00 1.21 N ATOM 74 CA GLU A 5 -17.663 0.605 -3.584 1.00 0.96 C ATOM 75 C GLU A 5 -16.749 -0.603 -3.571 1.00 0.95 C ATOM 76 O GLU A 5 -15.541 -0.500 -3.504 1.00 0.82 O ATOM 77 CB GLU A 5 -18.757 0.513 -2.542 1.00 1.13 C ATOM 78 CG GLU A 5 -18.207 0.365 -1.183 1.00 1.56 C ATOM 79 CD GLU A 5 -19.395 0.440 -0.257 1.00 1.97 C ATOM 80 OE1 GLU A 5 -19.981 -0.601 -0.033 1.00 2.36 O ATOM 81 OE2 GLU A 5 -19.650 1.549 0.167 1.00 2.53 O ATOM 0 H GLU A 5 -19.369 0.627 -4.828 1.00 1.21 H new ATOM 0 HA GLU A 5 -17.023 1.465 -3.384 1.00 0.96 H new ATOM 0 HB2 GLU A 5 -19.378 1.407 -2.587 1.00 1.13 H new ATOM 0 HB3 GLU A 5 -19.403 -0.336 -2.767 1.00 1.13 H new ATOM 0 HG2 GLU A 5 -17.683 -0.584 -1.073 1.00 1.56 H new ATOM 0 HG3 GLU A 5 -17.487 1.154 -0.963 1.00 1.56 H new ATOM 88 N LYS A 6 -17.390 -1.731 -3.640 1.00 1.22 N ATOM 89 CA LYS A 6 -16.639 -3.007 -3.614 1.00 1.36 C ATOM 90 C LYS A 6 -15.601 -2.957 -4.718 1.00 1.20 C ATOM 91 O LYS A 6 -14.498 -3.441 -4.568 1.00 1.18 O ATOM 92 CB LYS A 6 -17.591 -4.177 -3.868 1.00 1.75 C ATOM 93 CG LYS A 6 -18.912 -3.991 -3.075 1.00 2.49 C ATOM 94 CD LYS A 6 -18.643 -3.738 -1.585 1.00 2.98 C ATOM 95 CE LYS A 6 -20.007 -3.601 -0.874 1.00 3.67 C ATOM 96 NZ LYS A 6 -19.833 -3.273 0.566 1.00 3.78 N ATOM 0 H LYS A 6 -18.403 -1.823 -3.713 1.00 1.22 H new ATOM 0 HA LYS A 6 -16.165 -3.145 -2.642 1.00 1.36 H new ATOM 0 HB2 LYS A 6 -17.808 -4.251 -4.934 1.00 1.75 H new ATOM 0 HB3 LYS A 6 -17.113 -5.112 -3.574 1.00 1.75 H new ATOM 0 HG2 LYS A 6 -19.473 -3.154 -3.492 1.00 2.49 H new ATOM 0 HG3 LYS A 6 -19.533 -4.879 -3.188 1.00 2.49 H new ATOM 0 HD2 LYS A 6 -18.070 -4.560 -1.156 1.00 2.98 H new ATOM 0 HD3 LYS A 6 -18.051 -2.833 -1.452 1.00 2.98 H new ATOM 0 HE2 LYS A 6 -20.596 -2.822 -1.358 1.00 3.67 H new ATOM 0 HE3 LYS A 6 -20.566 -4.531 -0.973 1.00 3.67 H new ATOM 0 HZ1 LYS A 6 -20.580 -3.737 1.121 1.00 3.78 H new ATOM 0 HZ2 LYS A 6 -18.903 -3.609 0.889 1.00 3.78 H new ATOM 0 HZ3 LYS A 6 -19.894 -2.243 0.697 1.00 3.78 H new ATOM 110 N THR A 7 -15.994 -2.364 -5.803 1.00 1.23 N ATOM 111 CA THR A 7 -15.076 -2.265 -6.952 1.00 1.25 C ATOM 112 C THR A 7 -13.810 -1.511 -6.532 1.00 0.98 C ATOM 113 O THR A 7 -12.709 -1.939 -6.813 1.00 0.93 O ATOM 114 CB THR A 7 -15.835 -1.539 -8.045 1.00 1.53 C ATOM 115 OG1 THR A 7 -17.170 -1.982 -7.822 1.00 1.77 O ATOM 116 CG2 THR A 7 -15.449 -2.082 -9.430 1.00 1.82 C ATOM 0 H THR A 7 -16.913 -1.944 -5.940 1.00 1.23 H new ATOM 0 HA THR A 7 -14.755 -3.242 -7.312 1.00 1.25 H new ATOM 0 HB THR A 7 -15.660 -0.463 -8.023 1.00 1.53 H new ATOM 0 HG1 THR A 7 -17.701 -1.844 -8.634 1.00 1.77 H new ATOM 0 HG21 THR A 7 -16.006 -1.546 -10.199 1.00 1.82 H new ATOM 0 HG22 THR A 7 -14.380 -1.941 -9.591 1.00 1.82 H new ATOM 0 HG23 THR A 7 -15.687 -3.144 -9.483 1.00 1.82 H new ATOM 124 N ALA A 8 -13.994 -0.412 -5.861 1.00 0.87 N ATOM 125 CA ALA A 8 -12.805 0.377 -5.446 1.00 0.79 C ATOM 126 C ALA A 8 -11.931 -0.478 -4.562 1.00 0.62 C ATOM 127 O ALA A 8 -10.721 -0.435 -4.640 1.00 0.70 O ATOM 128 CB ALA A 8 -13.229 1.609 -4.660 1.00 0.81 C ATOM 0 H ALA A 8 -14.899 -0.031 -5.586 1.00 0.87 H new ATOM 0 HA ALA A 8 -12.263 0.689 -6.339 1.00 0.79 H new ATOM 0 HB1 ALA A 8 -12.345 2.174 -4.365 1.00 0.81 H new ATOM 0 HB2 ALA A 8 -13.869 2.235 -5.282 1.00 0.81 H new ATOM 0 HB3 ALA A 8 -13.777 1.302 -3.770 1.00 0.81 H new ATOM 134 N LEU A 9 -12.553 -1.252 -3.728 1.00 0.59 N ATOM 135 CA LEU A 9 -11.714 -2.087 -2.842 1.00 0.73 C ATOM 136 C LEU A 9 -11.103 -3.204 -3.661 1.00 0.60 C ATOM 137 O LEU A 9 -10.078 -3.745 -3.302 1.00 0.61 O ATOM 138 CB LEU A 9 -12.570 -2.663 -1.736 1.00 1.09 C ATOM 139 CG LEU A 9 -11.899 -2.391 -0.365 1.00 1.65 C ATOM 140 CD1 LEU A 9 -11.692 -0.881 -0.074 1.00 1.96 C ATOM 141 CD2 LEU A 9 -12.816 -2.967 0.711 1.00 2.37 C ATOM 0 H LEU A 9 -13.563 -1.342 -3.622 1.00 0.59 H new ATOM 0 HA LEU A 9 -10.921 -1.485 -2.398 1.00 0.73 H new ATOM 0 HB2 LEU A 9 -13.564 -2.216 -1.761 1.00 1.09 H new ATOM 0 HB3 LEU A 9 -12.699 -3.735 -1.883 1.00 1.09 H new ATOM 0 HG LEU A 9 -10.911 -2.852 -0.374 1.00 1.65 H new ATOM 0 HD11 LEU A 9 -11.218 -0.760 0.900 1.00 1.96 H new ATOM 0 HD12 LEU A 9 -11.055 -0.446 -0.844 1.00 1.96 H new ATOM 0 HD13 LEU A 9 -12.657 -0.375 -0.074 1.00 1.96 H new ATOM 0 HD21 LEU A 9 -12.377 -2.795 1.694 1.00 2.37 H new ATOM 0 HD22 LEU A 9 -13.790 -2.480 0.658 1.00 2.37 H new ATOM 0 HD23 LEU A 9 -12.937 -4.038 0.550 1.00 2.37 H new ATOM 153 N ASN A 10 -11.721 -3.548 -4.753 1.00 0.60 N ATOM 154 CA ASN A 10 -11.088 -4.624 -5.555 1.00 0.63 C ATOM 155 C ASN A 10 -9.820 -4.013 -6.093 1.00 0.57 C ATOM 156 O ASN A 10 -8.855 -4.699 -6.356 1.00 0.57 O ATOM 157 CB ASN A 10 -11.952 -5.054 -6.741 1.00 0.76 C ATOM 158 CG ASN A 10 -12.908 -6.158 -6.286 1.00 1.34 C ATOM 159 OD1 ASN A 10 -12.539 -7.318 -6.259 1.00 1.67 O ATOM 160 ND2 ASN A 10 -14.125 -5.862 -5.923 1.00 2.15 N ATOM 0 H ASN A 10 -12.591 -3.155 -5.111 1.00 0.60 H new ATOM 0 HA ASN A 10 -10.932 -5.509 -4.938 1.00 0.63 H new ATOM 0 HB2 ASN A 10 -12.515 -4.203 -7.125 1.00 0.76 H new ATOM 0 HB3 ASN A 10 -11.322 -5.413 -7.555 1.00 0.76 H new ATOM 0 HD21 ASN A 10 -14.760 -6.600 -5.619 1.00 2.15 H new ATOM 0 HD22 ASN A 10 -14.442 -4.893 -5.943 1.00 2.15 H new ATOM 167 N MET A 11 -9.846 -2.722 -6.249 1.00 0.60 N ATOM 168 CA MET A 11 -8.622 -2.059 -6.755 1.00 0.65 C ATOM 169 C MET A 11 -7.700 -1.905 -5.558 1.00 0.62 C ATOM 170 O MET A 11 -6.500 -1.809 -5.700 1.00 0.68 O ATOM 171 CB MET A 11 -8.964 -0.686 -7.334 1.00 0.77 C ATOM 172 CG MET A 11 -9.951 -0.884 -8.491 1.00 1.18 C ATOM 173 SD MET A 11 -10.492 0.591 -9.391 1.00 1.98 S ATOM 174 CE MET A 11 -9.141 0.660 -10.594 1.00 2.42 C ATOM 0 H MET A 11 -10.640 -2.112 -6.054 1.00 0.60 H new ATOM 0 HA MET A 11 -8.154 -2.642 -7.548 1.00 0.65 H new ATOM 0 HB2 MET A 11 -9.402 -0.048 -6.566 1.00 0.77 H new ATOM 0 HB3 MET A 11 -8.061 -0.187 -7.686 1.00 0.77 H new ATOM 0 HG2 MET A 11 -9.496 -1.567 -9.208 1.00 1.18 H new ATOM 0 HG3 MET A 11 -10.837 -1.381 -8.096 1.00 1.18 H new ATOM 0 HE1 MET A 11 -9.287 1.514 -11.256 1.00 2.42 H new ATOM 0 HE2 MET A 11 -8.192 0.766 -10.069 1.00 2.42 H new ATOM 0 HE3 MET A 11 -9.130 -0.258 -11.182 1.00 2.42 H new ATOM 184 N ALA A 12 -8.269 -1.880 -4.386 1.00 0.58 N ATOM 185 CA ALA A 12 -7.391 -1.748 -3.191 1.00 0.62 C ATOM 186 C ALA A 12 -6.577 -3.021 -3.115 1.00 0.56 C ATOM 187 O ALA A 12 -5.459 -3.031 -2.643 1.00 0.57 O ATOM 188 CB ALA A 12 -8.209 -1.614 -1.914 1.00 0.67 C ATOM 0 H ALA A 12 -9.271 -1.943 -4.205 1.00 0.58 H new ATOM 0 HA ALA A 12 -6.768 -0.858 -3.282 1.00 0.62 H new ATOM 0 HB1 ALA A 12 -7.538 -1.520 -1.060 1.00 0.67 H new ATOM 0 HB2 ALA A 12 -8.841 -0.729 -1.978 1.00 0.67 H new ATOM 0 HB3 ALA A 12 -8.834 -2.498 -1.788 1.00 0.67 H new ATOM 194 N ARG A 13 -7.173 -4.077 -3.589 1.00 0.53 N ATOM 195 CA ARG A 13 -6.450 -5.372 -3.571 1.00 0.50 C ATOM 196 C ARG A 13 -5.198 -5.165 -4.411 1.00 0.49 C ATOM 197 O ARG A 13 -4.167 -5.749 -4.154 1.00 0.51 O ATOM 198 CB ARG A 13 -7.336 -6.456 -4.188 1.00 0.51 C ATOM 199 CG ARG A 13 -6.606 -7.807 -4.225 1.00 0.61 C ATOM 200 CD ARG A 13 -7.554 -8.853 -4.839 1.00 1.07 C ATOM 201 NE ARG A 13 -8.210 -8.256 -6.041 1.00 1.86 N ATOM 202 CZ ARG A 13 -9.523 -8.244 -6.102 1.00 2.52 C ATOM 203 NH1 ARG A 13 -10.183 -7.984 -4.997 1.00 3.08 N ATOM 204 NH2 ARG A 13 -10.126 -8.493 -7.247 1.00 3.15 N ATOM 0 H ARG A 13 -8.114 -4.099 -3.982 1.00 0.53 H new ATOM 0 HA ARG A 13 -6.195 -5.686 -2.559 1.00 0.50 H new ATOM 0 HB2 ARG A 13 -8.256 -6.551 -3.611 1.00 0.51 H new ATOM 0 HB3 ARG A 13 -7.622 -6.165 -5.199 1.00 0.51 H new ATOM 0 HG2 ARG A 13 -5.693 -7.729 -4.816 1.00 0.61 H new ATOM 0 HG3 ARG A 13 -6.311 -8.106 -3.219 1.00 0.61 H new ATOM 0 HD2 ARG A 13 -6.999 -9.749 -5.117 1.00 1.07 H new ATOM 0 HD3 ARG A 13 -8.305 -9.157 -4.110 1.00 1.07 H new ATOM 0 HE ARG A 13 -7.650 -7.866 -6.799 1.00 1.86 H new ATOM 0 HH11 ARG A 13 -9.676 -7.800 -4.131 1.00 3.08 H new ATOM 0 HH12 ARG A 13 -11.203 -7.966 -5.004 1.00 3.08 H new ATOM 0 HH21 ARG A 13 -9.574 -8.694 -8.081 1.00 3.15 H new ATOM 0 HH22 ARG A 13 -11.145 -8.485 -7.299 1.00 3.15 H new ATOM 218 N PHE A 14 -5.306 -4.334 -5.409 1.00 0.52 N ATOM 219 CA PHE A 14 -4.104 -4.109 -6.250 1.00 0.54 C ATOM 220 C PHE A 14 -3.033 -3.449 -5.409 1.00 0.57 C ATOM 221 O PHE A 14 -1.865 -3.736 -5.566 1.00 0.59 O ATOM 222 CB PHE A 14 -4.405 -3.183 -7.424 1.00 0.62 C ATOM 223 CG PHE A 14 -3.100 -2.987 -8.198 1.00 1.17 C ATOM 224 CD1 PHE A 14 -2.497 -4.050 -8.843 1.00 1.81 C ATOM 225 CD2 PHE A 14 -2.509 -1.739 -8.253 1.00 2.02 C ATOM 226 CE1 PHE A 14 -1.319 -3.865 -9.534 1.00 2.50 C ATOM 227 CE2 PHE A 14 -1.331 -1.554 -8.944 1.00 2.69 C ATOM 228 CZ PHE A 14 -0.734 -2.618 -9.586 1.00 2.71 C ATOM 0 H PHE A 14 -6.145 -3.817 -5.672 1.00 0.52 H new ATOM 0 HA PHE A 14 -3.779 -5.076 -6.633 1.00 0.54 H new ATOM 0 HB2 PHE A 14 -5.172 -3.615 -8.067 1.00 0.62 H new ATOM 0 HB3 PHE A 14 -4.789 -2.226 -7.070 1.00 0.62 H new ATOM 0 HD1 PHE A 14 -2.951 -5.029 -8.805 1.00 1.81 H new ATOM 0 HD2 PHE A 14 -2.973 -0.903 -7.751 1.00 2.02 H new ATOM 0 HE1 PHE A 14 -0.853 -4.700 -10.036 1.00 2.50 H new ATOM 0 HE2 PHE A 14 -0.876 -0.575 -8.983 1.00 2.69 H new ATOM 0 HZ PHE A 14 0.189 -2.475 -10.128 1.00 2.71 H new ATOM 238 N ILE A 15 -3.445 -2.581 -4.534 1.00 0.58 N ATOM 239 CA ILE A 15 -2.431 -1.902 -3.691 1.00 0.63 C ATOM 240 C ILE A 15 -1.714 -3.007 -2.937 1.00 0.59 C ATOM 241 O ILE A 15 -0.510 -2.977 -2.777 1.00 0.62 O ATOM 242 CB ILE A 15 -3.132 -0.941 -2.717 1.00 0.69 C ATOM 243 CG1 ILE A 15 -4.108 -0.027 -3.488 1.00 0.79 C ATOM 244 CG2 ILE A 15 -2.085 -0.078 -1.989 1.00 0.82 C ATOM 245 CD1 ILE A 15 -3.382 0.825 -4.529 1.00 0.93 C ATOM 0 H ILE A 15 -4.416 -2.317 -4.368 1.00 0.58 H new ATOM 0 HA ILE A 15 -1.730 -1.313 -4.282 1.00 0.63 H new ATOM 0 HB ILE A 15 -3.690 -1.525 -1.985 1.00 0.69 H new ATOM 0 HG12 ILE A 15 -4.865 -0.637 -3.981 1.00 0.79 H new ATOM 0 HG13 ILE A 15 -4.630 0.623 -2.786 1.00 0.79 H new ATOM 0 HG21 ILE A 15 -2.588 0.601 -1.300 1.00 0.82 H new ATOM 0 HG22 ILE A 15 -1.406 -0.723 -1.431 1.00 0.82 H new ATOM 0 HG23 ILE A 15 -1.519 0.500 -2.719 1.00 0.82 H new ATOM 0 HD11 ILE A 15 -4.103 1.455 -5.051 1.00 0.93 H new ATOM 0 HD12 ILE A 15 -2.643 1.454 -4.033 1.00 0.93 H new ATOM 0 HD13 ILE A 15 -2.882 0.175 -5.247 1.00 0.93 H new ATOM 257 N ARG A 16 -2.480 -3.964 -2.492 1.00 0.58 N ATOM 258 CA ARG A 16 -1.831 -5.074 -1.748 1.00 0.58 C ATOM 259 C ARG A 16 -0.799 -5.665 -2.704 1.00 0.55 C ATOM 260 O ARG A 16 0.352 -5.845 -2.362 1.00 0.56 O ATOM 261 CB ARG A 16 -2.842 -6.182 -1.379 1.00 0.60 C ATOM 262 CG ARG A 16 -2.195 -7.072 -0.308 1.00 0.82 C ATOM 263 CD ARG A 16 -2.586 -8.557 -0.497 1.00 1.04 C ATOM 264 NE ARG A 16 -1.705 -9.434 0.342 1.00 1.57 N ATOM 265 CZ ARG A 16 -2.004 -9.702 1.597 1.00 2.08 C ATOM 266 NH1 ARG A 16 -3.240 -10.051 1.877 1.00 2.60 N ATOM 267 NH2 ARG A 16 -1.066 -9.611 2.521 1.00 2.68 N ATOM 0 H ARG A 16 -3.492 -4.026 -2.606 1.00 0.58 H new ATOM 0 HA ARG A 16 -1.398 -4.701 -0.820 1.00 0.58 H new ATOM 0 HB2 ARG A 16 -3.767 -5.745 -1.004 1.00 0.60 H new ATOM 0 HB3 ARG A 16 -3.101 -6.771 -2.259 1.00 0.60 H new ATOM 0 HG2 ARG A 16 -1.111 -6.971 -0.355 1.00 0.82 H new ATOM 0 HG3 ARG A 16 -2.504 -6.736 0.682 1.00 0.82 H new ATOM 0 HD2 ARG A 16 -3.630 -8.704 -0.219 1.00 1.04 H new ATOM 0 HD3 ARG A 16 -2.494 -8.834 -1.547 1.00 1.04 H new ATOM 0 HE ARG A 16 -0.859 -9.830 -0.066 1.00 1.57 H new ATOM 0 HH11 ARG A 16 -3.935 -10.108 1.133 1.00 2.60 H new ATOM 0 HH12 ARG A 16 -3.504 -10.265 2.839 1.00 2.60 H new ATOM 0 HH21 ARG A 16 -0.119 -9.335 2.261 1.00 2.68 H new ATOM 0 HH22 ARG A 16 -1.288 -9.816 3.495 1.00 2.68 H new ATOM 281 N SER A 17 -1.256 -5.944 -3.887 1.00 0.57 N ATOM 282 CA SER A 17 -0.372 -6.545 -4.913 1.00 0.60 C ATOM 283 C SER A 17 0.894 -5.727 -5.174 1.00 0.56 C ATOM 284 O SER A 17 1.936 -6.289 -5.442 1.00 0.55 O ATOM 285 CB SER A 17 -1.191 -6.684 -6.175 1.00 0.68 C ATOM 286 OG SER A 17 -2.389 -7.260 -5.670 1.00 0.72 O ATOM 0 H SER A 17 -2.216 -5.779 -4.190 1.00 0.57 H new ATOM 0 HA SER A 17 -0.017 -7.512 -4.556 1.00 0.60 H new ATOM 0 HB2 SER A 17 -1.369 -5.723 -6.657 1.00 0.68 H new ATOM 0 HB3 SER A 17 -0.706 -7.325 -6.911 1.00 0.68 H new ATOM 0 HG SER A 17 -3.019 -7.402 -6.407 1.00 0.72 H new ATOM 292 N GLN A 18 0.811 -4.429 -5.099 1.00 0.57 N ATOM 293 CA GLN A 18 2.053 -3.655 -5.361 1.00 0.57 C ATOM 294 C GLN A 18 3.031 -4.038 -4.277 1.00 0.51 C ATOM 295 O GLN A 18 4.185 -4.334 -4.512 1.00 0.51 O ATOM 296 CB GLN A 18 1.838 -2.160 -5.240 1.00 0.65 C ATOM 297 CG GLN A 18 0.786 -1.651 -6.197 1.00 0.91 C ATOM 298 CD GLN A 18 0.696 -0.153 -5.910 1.00 1.11 C ATOM 299 OE1 GLN A 18 -0.163 0.300 -5.181 1.00 1.80 O ATOM 300 NE2 GLN A 18 1.566 0.649 -6.457 1.00 1.05 N ATOM 0 H GLN A 18 -0.025 -3.889 -4.877 1.00 0.57 H new ATOM 0 HA GLN A 18 2.395 -3.875 -6.372 1.00 0.57 H new ATOM 0 HB2 GLN A 18 1.543 -1.919 -4.219 1.00 0.65 H new ATOM 0 HB3 GLN A 18 2.779 -1.644 -5.430 1.00 0.65 H new ATOM 0 HG2 GLN A 18 1.068 -1.840 -7.233 1.00 0.91 H new ATOM 0 HG3 GLN A 18 -0.172 -2.144 -6.032 1.00 0.91 H new ATOM 0 HE21 GLN A 18 2.290 0.274 -7.070 1.00 1.05 H new ATOM 0 HE22 GLN A 18 1.523 1.651 -6.272 1.00 1.05 H new ATOM 309 N THR A 19 2.497 -4.019 -3.097 1.00 0.48 N ATOM 310 CA THR A 19 3.320 -4.343 -1.926 1.00 0.44 C ATOM 311 C THR A 19 3.795 -5.790 -2.028 1.00 0.43 C ATOM 312 O THR A 19 4.768 -6.160 -1.405 1.00 0.46 O ATOM 313 CB THR A 19 2.442 -4.098 -0.730 1.00 0.46 C ATOM 314 OG1 THR A 19 1.722 -2.932 -1.112 1.00 0.56 O ATOM 315 CG2 THR A 19 3.294 -3.638 0.456 1.00 0.48 C ATOM 0 H THR A 19 1.523 -3.792 -2.898 1.00 0.48 H new ATOM 0 HA THR A 19 4.220 -3.733 -1.851 1.00 0.44 H new ATOM 0 HB THR A 19 1.858 -4.979 -0.464 1.00 0.46 H new ATOM 0 HG1 THR A 19 1.106 -2.678 -0.393 1.00 0.56 H new ATOM 0 HG21 THR A 19 2.652 -3.462 1.319 1.00 0.48 H new ATOM 0 HG22 THR A 19 4.026 -4.409 0.699 1.00 0.48 H new ATOM 0 HG23 THR A 19 3.812 -2.715 0.196 1.00 0.48 H new ATOM 323 N LEU A 20 3.106 -6.578 -2.803 1.00 0.45 N ATOM 324 CA LEU A 20 3.546 -7.987 -2.930 1.00 0.51 C ATOM 325 C LEU A 20 4.843 -7.893 -3.704 1.00 0.53 C ATOM 326 O LEU A 20 5.891 -8.291 -3.244 1.00 0.57 O ATOM 327 CB LEU A 20 2.530 -8.804 -3.743 1.00 0.57 C ATOM 328 CG LEU A 20 2.675 -10.323 -3.475 1.00 0.69 C ATOM 329 CD1 LEU A 20 1.506 -11.051 -4.155 1.00 1.31 C ATOM 330 CD2 LEU A 20 3.990 -10.873 -4.065 1.00 1.25 C ATOM 0 H LEU A 20 2.279 -6.315 -3.340 1.00 0.45 H new ATOM 0 HA LEU A 20 3.649 -8.476 -1.961 1.00 0.51 H new ATOM 0 HB2 LEU A 20 1.519 -8.484 -3.490 1.00 0.57 H new ATOM 0 HB3 LEU A 20 2.670 -8.606 -4.806 1.00 0.57 H new ATOM 0 HG LEU A 20 2.677 -10.485 -2.397 1.00 0.69 H new ATOM 0 HD11 LEU A 20 1.592 -12.123 -3.977 1.00 1.31 H new ATOM 0 HD12 LEU A 20 0.564 -10.689 -3.744 1.00 1.31 H new ATOM 0 HD13 LEU A 20 1.532 -10.858 -5.228 1.00 1.31 H new ATOM 0 HD21 LEU A 20 4.062 -11.941 -3.860 1.00 1.25 H new ATOM 0 HD22 LEU A 20 4.002 -10.708 -5.142 1.00 1.25 H new ATOM 0 HD23 LEU A 20 4.836 -10.358 -3.610 1.00 1.25 H new ATOM 342 N THR A 21 4.714 -7.343 -4.872 1.00 0.59 N ATOM 343 CA THR A 21 5.889 -7.213 -5.757 1.00 0.70 C ATOM 344 C THR A 21 7.003 -6.436 -5.054 1.00 0.63 C ATOM 345 O THR A 21 8.162 -6.524 -5.407 1.00 0.69 O ATOM 346 CB THR A 21 5.405 -6.505 -7.003 1.00 0.85 C ATOM 347 OG1 THR A 21 4.074 -6.994 -7.137 1.00 0.87 O ATOM 348 CG2 THR A 21 6.134 -7.052 -8.238 1.00 1.02 C ATOM 0 H THR A 21 3.841 -6.977 -5.251 1.00 0.59 H new ATOM 0 HA THR A 21 6.312 -8.184 -6.014 1.00 0.70 H new ATOM 0 HB THR A 21 5.534 -5.425 -6.934 1.00 0.85 H new ATOM 0 HG1 THR A 21 3.656 -6.592 -7.927 1.00 0.87 H new ATOM 0 HG21 THR A 21 5.778 -6.535 -9.129 1.00 1.02 H new ATOM 0 HG22 THR A 21 7.206 -6.890 -8.129 1.00 1.02 H new ATOM 0 HG23 THR A 21 5.936 -8.120 -8.334 1.00 1.02 H new ATOM 356 N LEU A 22 6.642 -5.674 -4.067 1.00 0.54 N ATOM 357 CA LEU A 22 7.704 -4.915 -3.372 1.00 0.52 C ATOM 358 C LEU A 22 8.353 -5.862 -2.381 1.00 0.45 C ATOM 359 O LEU A 22 9.553 -5.868 -2.209 1.00 0.49 O ATOM 360 CB LEU A 22 7.078 -3.731 -2.644 1.00 0.59 C ATOM 361 CG LEU A 22 8.139 -2.941 -1.852 1.00 0.89 C ATOM 362 CD1 LEU A 22 9.282 -2.461 -2.768 1.00 1.71 C ATOM 363 CD2 LEU A 22 7.453 -1.715 -1.254 1.00 1.25 C ATOM 0 H LEU A 22 5.691 -5.546 -3.721 1.00 0.54 H new ATOM 0 HA LEU A 22 8.447 -4.533 -4.072 1.00 0.52 H new ATOM 0 HB2 LEU A 22 6.593 -3.073 -3.365 1.00 0.59 H new ATOM 0 HB3 LEU A 22 6.303 -4.086 -1.965 1.00 0.59 H new ATOM 0 HG LEU A 22 8.564 -3.587 -1.084 1.00 0.89 H new ATOM 0 HD11 LEU A 22 10.013 -1.908 -2.178 1.00 1.71 H new ATOM 0 HD12 LEU A 22 9.765 -3.323 -3.229 1.00 1.71 H new ATOM 0 HD13 LEU A 22 8.877 -1.813 -3.545 1.00 1.71 H new ATOM 0 HD21 LEU A 22 8.179 -1.133 -0.686 1.00 1.25 H new ATOM 0 HD22 LEU A 22 7.043 -1.101 -2.055 1.00 1.25 H new ATOM 0 HD23 LEU A 22 6.647 -2.035 -0.593 1.00 1.25 H new ATOM 375 N LEU A 23 7.517 -6.640 -1.761 1.00 0.43 N ATOM 376 CA LEU A 23 7.994 -7.606 -0.740 1.00 0.44 C ATOM 377 C LEU A 23 9.096 -8.476 -1.304 1.00 0.48 C ATOM 378 O LEU A 23 10.201 -8.492 -0.799 1.00 0.52 O ATOM 379 CB LEU A 23 6.816 -8.487 -0.295 1.00 0.53 C ATOM 380 CG LEU A 23 7.245 -9.540 0.743 1.00 0.73 C ATOM 381 CD1 LEU A 23 7.687 -8.851 2.029 1.00 1.08 C ATOM 382 CD2 LEU A 23 6.029 -10.426 1.045 1.00 1.05 C ATOM 0 H LEU A 23 6.510 -6.648 -1.921 1.00 0.43 H new ATOM 0 HA LEU A 23 8.392 -7.056 0.113 1.00 0.44 H new ATOM 0 HB2 LEU A 23 6.033 -7.858 0.128 1.00 0.53 H new ATOM 0 HB3 LEU A 23 6.389 -8.987 -1.164 1.00 0.53 H new ATOM 0 HG LEU A 23 8.073 -10.132 0.355 1.00 0.73 H new ATOM 0 HD11 LEU A 23 7.989 -9.602 2.759 1.00 1.08 H new ATOM 0 HD12 LEU A 23 8.529 -8.191 1.818 1.00 1.08 H new ATOM 0 HD13 LEU A 23 6.860 -8.266 2.431 1.00 1.08 H new ATOM 0 HD21 LEU A 23 6.304 -11.183 1.779 1.00 1.05 H new ATOM 0 HD22 LEU A 23 5.221 -9.812 1.442 1.00 1.05 H new ATOM 0 HD23 LEU A 23 5.697 -10.913 0.128 1.00 1.05 H new ATOM 394 N GLU A 24 8.759 -9.181 -2.343 1.00 0.57 N ATOM 395 CA GLU A 24 9.764 -10.083 -2.953 1.00 0.71 C ATOM 396 C GLU A 24 11.034 -9.341 -3.326 1.00 0.67 C ATOM 397 O GLU A 24 12.115 -9.765 -2.987 1.00 0.69 O ATOM 398 CB GLU A 24 9.155 -10.736 -4.210 1.00 0.90 C ATOM 399 CG GLU A 24 8.257 -9.735 -4.935 1.00 1.37 C ATOM 400 CD GLU A 24 7.959 -10.268 -6.322 1.00 1.52 C ATOM 401 OE1 GLU A 24 7.617 -11.431 -6.392 1.00 1.83 O ATOM 402 OE2 GLU A 24 8.104 -9.465 -7.228 1.00 1.84 O ATOM 0 H GLU A 24 7.843 -9.172 -2.791 1.00 0.57 H new ATOM 0 HA GLU A 24 10.031 -10.844 -2.220 1.00 0.71 H new ATOM 0 HB2 GLU A 24 9.949 -11.073 -4.876 1.00 0.90 H new ATOM 0 HB3 GLU A 24 8.579 -11.617 -3.929 1.00 0.90 H new ATOM 0 HG2 GLU A 24 7.331 -9.587 -4.380 1.00 1.37 H new ATOM 0 HG3 GLU A 24 8.748 -8.764 -5.000 1.00 1.37 H new ATOM 409 N LYS A 25 10.892 -8.243 -4.005 1.00 0.67 N ATOM 410 CA LYS A 25 12.109 -7.504 -4.419 1.00 0.72 C ATOM 411 C LYS A 25 12.950 -7.095 -3.224 1.00 0.68 C ATOM 412 O LYS A 25 14.158 -7.200 -3.263 1.00 0.75 O ATOM 413 CB LYS A 25 11.673 -6.274 -5.212 1.00 0.81 C ATOM 414 CG LYS A 25 10.913 -6.762 -6.464 1.00 0.95 C ATOM 415 CD LYS A 25 11.882 -7.389 -7.477 1.00 1.36 C ATOM 416 CE LYS A 25 11.220 -8.659 -8.045 1.00 1.57 C ATOM 417 NZ LYS A 25 10.990 -9.651 -6.966 1.00 1.86 N ATOM 0 H LYS A 25 10.003 -7.831 -4.287 1.00 0.67 H new ATOM 0 HA LYS A 25 12.731 -8.153 -5.035 1.00 0.72 H new ATOM 0 HB2 LYS A 25 11.034 -5.634 -4.603 1.00 0.81 H new ATOM 0 HB3 LYS A 25 12.539 -5.678 -5.500 1.00 0.81 H new ATOM 0 HG2 LYS A 25 10.158 -7.493 -6.175 1.00 0.95 H new ATOM 0 HG3 LYS A 25 10.387 -5.926 -6.925 1.00 0.95 H new ATOM 0 HD2 LYS A 25 12.105 -6.684 -8.278 1.00 1.36 H new ATOM 0 HD3 LYS A 25 12.829 -7.635 -6.997 1.00 1.36 H new ATOM 0 HE2 LYS A 25 10.273 -8.402 -8.519 1.00 1.57 H new ATOM 0 HE3 LYS A 25 11.855 -9.093 -8.817 1.00 1.57 H new ATOM 0 HZ1 LYS A 25 11.421 -10.559 -7.232 1.00 1.86 H new ATOM 0 HZ2 LYS A 25 11.419 -9.309 -6.083 1.00 1.86 H new ATOM 0 HZ3 LYS A 25 9.968 -9.781 -6.826 1.00 1.86 H new ATOM 431 N LEU A 26 12.324 -6.638 -2.183 1.00 0.65 N ATOM 432 CA LEU A 26 13.147 -6.234 -1.014 1.00 0.67 C ATOM 433 C LEU A 26 13.863 -7.465 -0.511 1.00 0.65 C ATOM 434 O LEU A 26 15.021 -7.422 -0.152 1.00 0.73 O ATOM 435 CB LEU A 26 12.264 -5.695 0.103 1.00 0.68 C ATOM 436 CG LEU A 26 11.636 -4.352 -0.312 1.00 0.80 C ATOM 437 CD1 LEU A 26 10.574 -3.984 0.728 1.00 1.21 C ATOM 438 CD2 LEU A 26 12.708 -3.242 -0.327 1.00 1.22 C ATOM 0 H LEU A 26 11.314 -6.528 -2.088 1.00 0.65 H new ATOM 0 HA LEU A 26 13.849 -5.455 -1.312 1.00 0.67 H new ATOM 0 HB2 LEU A 26 11.479 -6.415 0.335 1.00 0.68 H new ATOM 0 HB3 LEU A 26 12.854 -5.563 1.010 1.00 0.68 H new ATOM 0 HG LEU A 26 11.202 -4.445 -1.308 1.00 0.80 H new ATOM 0 HD11 LEU A 26 10.113 -3.034 0.457 1.00 1.21 H new ATOM 0 HD12 LEU A 26 9.811 -4.762 0.760 1.00 1.21 H new ATOM 0 HD13 LEU A 26 11.041 -3.893 1.709 1.00 1.21 H new ATOM 0 HD21 LEU A 26 12.250 -2.298 -0.622 1.00 1.22 H new ATOM 0 HD22 LEU A 26 13.140 -3.140 0.668 1.00 1.22 H new ATOM 0 HD23 LEU A 26 13.492 -3.503 -1.038 1.00 1.22 H new ATOM 450 N ASN A 27 13.137 -8.541 -0.507 1.00 0.60 N ATOM 451 CA ASN A 27 13.723 -9.812 -0.014 1.00 0.66 C ATOM 452 C ASN A 27 14.969 -10.127 -0.823 1.00 0.68 C ATOM 453 O ASN A 27 16.006 -10.462 -0.291 1.00 0.79 O ATOM 454 CB ASN A 27 12.720 -10.933 -0.189 1.00 0.76 C ATOM 455 CG ASN A 27 13.181 -12.114 0.652 1.00 1.02 C ATOM 456 OD1 ASN A 27 13.797 -13.043 0.169 1.00 1.70 O ATOM 457 ND2 ASN A 27 12.892 -12.105 1.923 1.00 1.70 N ATOM 0 H ASN A 27 12.168 -8.597 -0.822 1.00 0.60 H new ATOM 0 HA ASN A 27 13.978 -9.714 1.041 1.00 0.66 H new ATOM 0 HB2 ASN A 27 11.727 -10.608 0.123 1.00 0.76 H new ATOM 0 HB3 ASN A 27 12.647 -11.218 -1.238 1.00 0.76 H new ATOM 0 HD21 ASN A 27 13.183 -12.881 2.518 1.00 1.70 H new ATOM 0 HD22 ASN A 27 12.375 -11.322 2.323 1.00 1.70 H new ATOM 464 N GLU A 28 14.811 -9.996 -2.107 1.00 0.70 N ATOM 465 CA GLU A 28 15.915 -10.281 -3.055 1.00 0.83 C ATOM 466 C GLU A 28 17.045 -9.284 -2.876 1.00 0.86 C ATOM 467 O GLU A 28 18.184 -9.571 -3.182 1.00 0.97 O ATOM 468 CB GLU A 28 15.337 -10.205 -4.454 1.00 1.00 C ATOM 469 CG GLU A 28 14.277 -11.303 -4.565 1.00 1.12 C ATOM 470 CD GLU A 28 13.333 -10.984 -5.711 1.00 1.86 C ATOM 471 OE1 GLU A 28 13.654 -10.104 -6.492 1.00 2.24 O ATOM 472 OE2 GLU A 28 12.314 -11.646 -5.745 1.00 2.61 O ATOM 0 H GLU A 28 13.941 -9.696 -2.548 1.00 0.70 H new ATOM 0 HA GLU A 28 16.334 -11.270 -2.873 1.00 0.83 H new ATOM 0 HB2 GLU A 28 14.896 -9.225 -4.636 1.00 1.00 H new ATOM 0 HB3 GLU A 28 16.118 -10.347 -5.201 1.00 1.00 H new ATOM 0 HG2 GLU A 28 14.755 -12.268 -4.732 1.00 1.12 H new ATOM 0 HG3 GLU A 28 13.719 -11.380 -3.632 1.00 1.12 H new ATOM 479 N LEU A 29 16.709 -8.124 -2.393 1.00 0.84 N ATOM 480 CA LEU A 29 17.766 -7.102 -2.182 1.00 0.98 C ATOM 481 C LEU A 29 18.316 -7.270 -0.779 1.00 1.03 C ATOM 482 O LEU A 29 18.824 -6.318 -0.219 1.00 1.19 O ATOM 483 CB LEU A 29 17.179 -5.695 -2.323 1.00 1.02 C ATOM 484 CG LEU A 29 16.707 -5.454 -3.773 1.00 1.07 C ATOM 485 CD1 LEU A 29 15.928 -4.132 -3.819 1.00 1.79 C ATOM 486 CD2 LEU A 29 17.921 -5.333 -4.714 1.00 1.43 C ATOM 0 H LEU A 29 15.763 -7.842 -2.138 1.00 0.84 H new ATOM 0 HA LEU A 29 18.553 -7.231 -2.925 1.00 0.98 H new ATOM 0 HB2 LEU A 29 16.342 -5.572 -1.636 1.00 1.02 H new ATOM 0 HB3 LEU A 29 17.928 -4.952 -2.049 1.00 1.02 H new ATOM 0 HG LEU A 29 16.082 -6.289 -4.091 1.00 1.07 H new ATOM 0 HD11 LEU A 29 15.587 -3.946 -4.837 1.00 1.79 H new ATOM 0 HD12 LEU A 29 15.067 -4.194 -3.153 1.00 1.79 H new ATOM 0 HD13 LEU A 29 16.576 -3.316 -3.499 1.00 1.79 H new ATOM 0 HD21 LEU A 29 17.575 -5.163 -5.734 1.00 1.43 H new ATOM 0 HD22 LEU A 29 18.544 -4.496 -4.398 1.00 1.43 H new ATOM 0 HD23 LEU A 29 18.503 -6.254 -4.677 1.00 1.43 H new ATOM 498 N ASP A 30 18.193 -8.463 -0.257 1.00 0.98 N ATOM 499 CA ASP A 30 18.678 -8.782 1.122 1.00 1.11 C ATOM 500 C ASP A 30 18.126 -7.784 2.117 1.00 1.16 C ATOM 501 O ASP A 30 18.626 -7.638 3.213 1.00 1.63 O ATOM 502 CB ASP A 30 20.213 -8.738 1.196 1.00 1.35 C ATOM 503 CG ASP A 30 20.799 -9.915 0.414 1.00 1.82 C ATOM 504 OD1 ASP A 30 20.014 -10.606 -0.215 1.00 2.23 O ATOM 505 OD2 ASP A 30 22.007 -10.062 0.493 1.00 2.45 O ATOM 0 H ASP A 30 17.765 -9.252 -0.742 1.00 0.98 H new ATOM 0 HA ASP A 30 18.333 -9.787 1.363 1.00 1.11 H new ATOM 0 HB2 ASP A 30 20.580 -7.797 0.786 1.00 1.35 H new ATOM 0 HB3 ASP A 30 20.538 -8.781 2.235 1.00 1.35 H new ATOM 510 N ALA A 31 17.088 -7.121 1.701 1.00 0.84 N ATOM 511 CA ALA A 31 16.436 -6.107 2.563 1.00 0.87 C ATOM 512 C ALA A 31 15.290 -6.833 3.209 1.00 0.76 C ATOM 513 O ALA A 31 14.145 -6.464 3.034 1.00 0.75 O ATOM 514 CB ALA A 31 15.899 -4.975 1.722 1.00 0.89 C ATOM 0 H ALA A 31 16.658 -7.242 0.784 1.00 0.84 H new ATOM 0 HA ALA A 31 17.130 -5.681 3.288 1.00 0.87 H new ATOM 0 HB1 ALA A 31 15.422 -4.237 2.367 1.00 0.89 H new ATOM 0 HB2 ALA A 31 16.718 -4.506 1.177 1.00 0.89 H new ATOM 0 HB3 ALA A 31 15.168 -5.363 1.013 1.00 0.89 H new ATOM 520 N ASP A 32 15.618 -7.853 3.943 1.00 0.85 N ATOM 521 CA ASP A 32 14.517 -8.622 4.570 1.00 0.87 C ATOM 522 C ASP A 32 13.879 -7.811 5.672 1.00 0.79 C ATOM 523 O ASP A 32 12.731 -8.016 5.998 1.00 0.74 O ATOM 524 CB ASP A 32 15.025 -9.910 5.179 1.00 1.11 C ATOM 525 CG ASP A 32 13.788 -10.730 5.531 1.00 2.05 C ATOM 526 OD1 ASP A 32 13.112 -11.100 4.583 1.00 2.83 O ATOM 527 OD2 ASP A 32 13.591 -10.937 6.714 1.00 2.57 O ATOM 0 H ASP A 32 16.566 -8.179 4.132 1.00 0.85 H new ATOM 0 HA ASP A 32 13.793 -8.848 3.787 1.00 0.87 H new ATOM 0 HB2 ASP A 32 15.662 -10.448 4.477 1.00 1.11 H new ATOM 0 HB3 ASP A 32 15.626 -9.711 6.066 1.00 1.11 H new ATOM 532 N GLU A 33 14.625 -6.901 6.229 1.00 0.86 N ATOM 533 CA GLU A 33 14.037 -6.069 7.315 1.00 0.90 C ATOM 534 C GLU A 33 12.842 -5.385 6.683 1.00 0.78 C ATOM 535 O GLU A 33 11.721 -5.387 7.152 1.00 0.79 O ATOM 536 CB GLU A 33 14.984 -4.951 7.791 1.00 1.07 C ATOM 537 CG GLU A 33 16.447 -5.387 7.775 1.00 1.58 C ATOM 538 CD GLU A 33 16.998 -5.118 6.381 1.00 1.74 C ATOM 539 OE1 GLU A 33 16.963 -3.963 5.996 1.00 2.11 O ATOM 540 OE2 GLU A 33 17.422 -6.082 5.776 1.00 2.15 O ATOM 0 H GLU A 33 15.595 -6.699 5.987 1.00 0.86 H new ATOM 0 HA GLU A 33 13.811 -6.702 8.173 1.00 0.90 H new ATOM 0 HB2 GLU A 33 14.861 -4.076 7.152 1.00 1.07 H new ATOM 0 HB3 GLU A 33 14.708 -4.649 8.801 1.00 1.07 H new ATOM 0 HG2 GLU A 33 17.018 -4.837 8.524 1.00 1.58 H new ATOM 0 HG3 GLU A 33 16.533 -6.445 8.022 1.00 1.58 H new ATOM 547 N GLN A 34 13.173 -4.807 5.573 1.00 0.71 N ATOM 548 CA GLN A 34 12.164 -4.052 4.811 1.00 0.67 C ATOM 549 C GLN A 34 11.143 -5.025 4.279 1.00 0.57 C ATOM 550 O GLN A 34 10.015 -4.654 4.039 1.00 0.53 O ATOM 551 CB GLN A 34 12.860 -3.337 3.677 1.00 0.72 C ATOM 552 CG GLN A 34 14.053 -2.611 4.274 1.00 0.88 C ATOM 553 CD GLN A 34 14.826 -1.975 3.135 1.00 1.49 C ATOM 554 OE1 GLN A 34 16.097 -2.241 3.056 1.00 2.26 O flip ATOM 555 NE2 GLN A 34 14.286 -1.250 2.323 1.00 1.80 N flip ATOM 0 H GLN A 34 14.106 -4.827 5.160 1.00 0.71 H new ATOM 0 HA GLN A 34 11.661 -3.317 5.440 1.00 0.67 H new ATOM 0 HB2 GLN A 34 13.182 -4.046 2.914 1.00 0.72 H new ATOM 0 HB3 GLN A 34 12.184 -2.633 3.192 1.00 0.72 H new ATOM 0 HG2 GLN A 34 13.723 -1.851 4.982 1.00 0.88 H new ATOM 0 HG3 GLN A 34 14.687 -3.306 4.825 1.00 0.88 H new ATOM 0 HE21 GLN A 34 13.288 -1.052 2.400 1.00 1.80 H new ATOM 0 HE22 GLN A 34 14.830 -0.839 1.564 1.00 1.80 H new ATOM 564 N ALA A 35 11.545 -6.249 4.097 1.00 0.58 N ATOM 565 CA ALA A 35 10.551 -7.212 3.572 1.00 0.56 C ATOM 566 C ALA A 35 9.495 -7.388 4.642 1.00 0.56 C ATOM 567 O ALA A 35 8.322 -7.368 4.343 1.00 0.54 O ATOM 568 CB ALA A 35 11.188 -8.572 3.288 1.00 0.65 C ATOM 0 H ALA A 35 12.480 -6.612 4.281 1.00 0.58 H new ATOM 0 HA ALA A 35 10.135 -6.833 2.639 1.00 0.56 H new ATOM 0 HB1 ALA A 35 10.431 -9.255 2.904 1.00 0.65 H new ATOM 0 HB2 ALA A 35 11.980 -8.455 2.548 1.00 0.65 H new ATOM 0 HB3 ALA A 35 11.608 -8.976 4.209 1.00 0.65 H new ATOM 574 N ASP A 36 9.919 -7.552 5.863 1.00 0.62 N ATOM 575 CA ASP A 36 8.913 -7.731 6.946 1.00 0.67 C ATOM 576 C ASP A 36 7.964 -6.569 6.955 1.00 0.60 C ATOM 577 O ASP A 36 6.767 -6.719 6.837 1.00 0.62 O ATOM 578 CB ASP A 36 9.539 -7.765 8.319 1.00 0.79 C ATOM 579 CG ASP A 36 8.372 -7.655 9.301 1.00 1.21 C ATOM 580 OD1 ASP A 36 7.709 -8.665 9.451 1.00 1.67 O ATOM 581 OD2 ASP A 36 8.206 -6.573 9.839 1.00 1.65 O ATOM 0 H ASP A 36 10.896 -7.570 6.155 1.00 0.62 H new ATOM 0 HA ASP A 36 8.415 -8.679 6.741 1.00 0.67 H new ATOM 0 HB2 ASP A 36 10.097 -8.689 8.474 1.00 0.79 H new ATOM 0 HB3 ASP A 36 10.242 -6.942 8.451 1.00 0.79 H new ATOM 586 N ILE A 37 8.541 -5.416 7.098 1.00 0.55 N ATOM 587 CA ILE A 37 7.703 -4.198 7.132 1.00 0.52 C ATOM 588 C ILE A 37 6.854 -4.154 5.865 1.00 0.47 C ATOM 589 O ILE A 37 5.735 -3.679 5.867 1.00 0.50 O ATOM 590 CB ILE A 37 8.632 -2.980 7.215 1.00 0.53 C ATOM 591 CG1 ILE A 37 9.491 -3.140 8.489 1.00 0.68 C ATOM 592 CG2 ILE A 37 7.792 -1.695 7.321 1.00 0.57 C ATOM 593 CD1 ILE A 37 10.468 -1.969 8.624 1.00 1.12 C ATOM 0 H ILE A 37 9.545 -5.266 7.192 1.00 0.55 H new ATOM 0 HA ILE A 37 7.038 -4.197 7.995 1.00 0.52 H new ATOM 0 HB ILE A 37 9.261 -2.914 6.328 1.00 0.53 H new ATOM 0 HG12 ILE A 37 8.846 -3.187 9.367 1.00 0.68 H new ATOM 0 HG13 ILE A 37 10.043 -4.079 8.448 1.00 0.68 H new ATOM 0 HG21 ILE A 37 8.454 -0.831 7.380 1.00 0.57 H new ATOM 0 HG22 ILE A 37 7.154 -1.604 6.442 1.00 0.57 H new ATOM 0 HG23 ILE A 37 7.172 -1.738 8.216 1.00 0.57 H new ATOM 0 HD11 ILE A 37 11.066 -2.096 9.526 1.00 1.12 H new ATOM 0 HD12 ILE A 37 11.125 -1.941 7.754 1.00 1.12 H new ATOM 0 HD13 ILE A 37 9.910 -1.035 8.687 1.00 1.12 H new ATOM 605 N CYS A 38 7.402 -4.660 4.801 1.00 0.45 N ATOM 606 CA CYS A 38 6.629 -4.618 3.540 1.00 0.47 C ATOM 607 C CYS A 38 5.528 -5.646 3.555 1.00 0.50 C ATOM 608 O CYS A 38 4.538 -5.437 2.891 1.00 0.57 O ATOM 609 CB CYS A 38 7.526 -4.900 2.341 1.00 0.48 C ATOM 610 SG CYS A 38 6.754 -4.824 0.707 1.00 0.70 S ATOM 0 H CYS A 38 8.326 -5.089 4.750 1.00 0.45 H new ATOM 0 HA CYS A 38 6.204 -3.618 3.456 1.00 0.47 H new ATOM 0 HB2 CYS A 38 8.351 -4.188 2.360 1.00 0.48 H new ATOM 0 HB3 CYS A 38 7.958 -5.893 2.466 1.00 0.48 H new ATOM 0 HG CYS A 38 6.053 -3.733 0.608 1.00 0.70 H new ATOM 616 N GLU A 39 5.685 -6.718 4.276 1.00 0.54 N ATOM 617 CA GLU A 39 4.579 -7.703 4.261 1.00 0.62 C ATOM 618 C GLU A 39 3.550 -7.038 5.145 1.00 0.58 C ATOM 619 O GLU A 39 2.394 -6.941 4.810 1.00 0.57 O ATOM 620 CB GLU A 39 4.992 -9.042 4.887 1.00 0.75 C ATOM 621 CG GLU A 39 4.063 -10.164 4.360 1.00 1.35 C ATOM 622 CD GLU A 39 2.603 -9.870 4.728 1.00 2.07 C ATOM 623 OE1 GLU A 39 2.379 -9.727 5.916 1.00 2.82 O ATOM 624 OE2 GLU A 39 1.800 -9.801 3.810 1.00 2.39 O ATOM 0 H GLU A 39 6.495 -6.948 4.851 1.00 0.54 H new ATOM 0 HA GLU A 39 4.242 -7.937 3.251 1.00 0.62 H new ATOM 0 HB2 GLU A 39 6.029 -9.267 4.639 1.00 0.75 H new ATOM 0 HB3 GLU A 39 4.929 -8.983 5.974 1.00 0.75 H new ATOM 0 HG2 GLU A 39 4.162 -10.247 3.278 1.00 1.35 H new ATOM 0 HG3 GLU A 39 4.365 -11.122 4.782 1.00 1.35 H new ATOM 631 N SER A 40 3.978 -6.577 6.274 1.00 0.63 N ATOM 632 CA SER A 40 3.008 -5.915 7.165 1.00 0.64 C ATOM 633 C SER A 40 2.262 -4.833 6.383 1.00 0.58 C ATOM 634 O SER A 40 1.098 -4.579 6.612 1.00 0.63 O ATOM 635 CB SER A 40 3.802 -5.333 8.321 1.00 0.72 C ATOM 636 OG SER A 40 4.544 -6.458 8.773 1.00 0.77 O ATOM 0 H SER A 40 4.938 -6.628 6.614 1.00 0.63 H new ATOM 0 HA SER A 40 2.259 -6.608 7.548 1.00 0.64 H new ATOM 0 HB2 SER A 40 4.452 -4.519 7.999 1.00 0.72 H new ATOM 0 HB3 SER A 40 3.153 -4.934 9.100 1.00 0.72 H new ATOM 0 HG SER A 40 5.106 -6.196 9.532 1.00 0.77 H new ATOM 642 N LEU A 41 2.948 -4.216 5.466 1.00 0.54 N ATOM 643 CA LEU A 41 2.282 -3.156 4.669 1.00 0.53 C ATOM 644 C LEU A 41 1.384 -3.874 3.667 1.00 0.50 C ATOM 645 O LEU A 41 0.298 -3.441 3.343 1.00 0.55 O ATOM 646 CB LEU A 41 3.352 -2.342 3.942 1.00 0.56 C ATOM 647 CG LEU A 41 2.759 -1.063 3.306 1.00 0.63 C ATOM 648 CD1 LEU A 41 2.315 -0.073 4.402 1.00 1.05 C ATOM 649 CD2 LEU A 41 3.842 -0.391 2.449 1.00 1.22 C ATOM 0 H LEU A 41 3.925 -4.396 5.237 1.00 0.54 H new ATOM 0 HA LEU A 41 1.698 -2.476 5.290 1.00 0.53 H new ATOM 0 HB2 LEU A 41 4.141 -2.069 4.643 1.00 0.56 H new ATOM 0 HB3 LEU A 41 3.812 -2.955 3.167 1.00 0.56 H new ATOM 0 HG LEU A 41 1.896 -1.335 2.698 1.00 0.63 H new ATOM 0 HD11 LEU A 41 1.900 0.822 3.938 1.00 1.05 H new ATOM 0 HD12 LEU A 41 1.557 -0.541 5.030 1.00 1.05 H new ATOM 0 HD13 LEU A 41 3.174 0.201 5.014 1.00 1.05 H new ATOM 0 HD21 LEU A 41 3.437 0.513 1.994 1.00 1.22 H new ATOM 0 HD22 LEU A 41 4.694 -0.131 3.077 1.00 1.22 H new ATOM 0 HD23 LEU A 41 4.165 -1.078 1.666 1.00 1.22 H new ATOM 661 N HIS A 42 1.893 -4.977 3.209 1.00 0.50 N ATOM 662 CA HIS A 42 1.175 -5.811 2.209 1.00 0.53 C ATOM 663 C HIS A 42 -0.163 -6.225 2.794 1.00 0.55 C ATOM 664 O HIS A 42 -1.191 -5.837 2.278 1.00 0.63 O ATOM 665 CB HIS A 42 2.066 -7.043 1.881 1.00 0.54 C ATOM 666 CG HIS A 42 1.567 -7.942 0.751 1.00 0.60 C ATOM 667 ND1 HIS A 42 0.996 -7.565 -0.343 1.00 0.61 N ATOM 668 CD2 HIS A 42 1.618 -9.324 0.647 1.00 1.21 C ATOM 669 CE1 HIS A 42 0.714 -8.601 -1.064 1.00 0.64 C ATOM 670 NE2 HIS A 42 1.084 -9.718 -0.490 1.00 1.13 N ATOM 0 H HIS A 42 2.801 -5.346 3.492 1.00 0.50 H new ATOM 0 HA HIS A 42 0.985 -5.262 1.287 1.00 0.53 H new ATOM 0 HB2 HIS A 42 3.064 -6.688 1.624 1.00 0.54 H new ATOM 0 HB3 HIS A 42 2.165 -7.647 2.783 1.00 0.54 H new ATOM 0 HD1 HIS A 42 0.797 -6.598 -0.600 1.00 0.61 H new ATOM 0 HD2 HIS A 42 2.036 -9.983 1.393 1.00 1.21 H new ATOM 0 HE1 HIS A 42 0.229 -8.551 -2.028 1.00 0.64 H new ATOM 678 N ASP A 43 -0.156 -6.985 3.851 1.00 0.56 N ATOM 679 CA ASP A 43 -1.469 -7.401 4.401 1.00 0.64 C ATOM 680 C ASP A 43 -2.206 -6.234 5.005 1.00 0.60 C ATOM 681 O ASP A 43 -3.399 -6.315 5.193 1.00 0.62 O ATOM 682 CB ASP A 43 -1.300 -8.452 5.483 1.00 0.80 C ATOM 683 CG ASP A 43 -2.670 -9.088 5.684 1.00 1.22 C ATOM 684 OD1 ASP A 43 -3.095 -9.753 4.752 1.00 1.51 O ATOM 685 OD2 ASP A 43 -3.234 -8.884 6.743 1.00 1.86 O ATOM 0 H ASP A 43 0.671 -7.325 4.342 1.00 0.56 H new ATOM 0 HA ASP A 43 -2.039 -7.809 3.566 1.00 0.64 H new ATOM 0 HB2 ASP A 43 -0.565 -9.200 5.186 1.00 0.80 H new ATOM 0 HB3 ASP A 43 -0.941 -8.002 6.409 1.00 0.80 H new ATOM 690 N HIS A 44 -1.524 -5.167 5.312 1.00 0.60 N ATOM 691 CA HIS A 44 -2.278 -4.011 5.881 1.00 0.63 C ATOM 692 C HIS A 44 -3.198 -3.565 4.762 1.00 0.60 C ATOM 693 O HIS A 44 -4.369 -3.301 4.958 1.00 0.68 O ATOM 694 CB HIS A 44 -1.310 -2.867 6.256 1.00 0.65 C ATOM 695 CG HIS A 44 -2.028 -1.573 6.695 1.00 1.02 C ATOM 696 ND1 HIS A 44 -3.238 -1.202 6.414 1.00 1.67 N ATOM 697 CD2 HIS A 44 -1.539 -0.532 7.473 1.00 1.54 C ATOM 698 CE1 HIS A 44 -3.485 -0.053 6.954 1.00 2.24 C ATOM 699 NE2 HIS A 44 -2.457 0.403 7.623 1.00 2.16 N ATOM 0 H HIS A 44 -0.518 -5.043 5.201 1.00 0.60 H new ATOM 0 HA HIS A 44 -2.820 -4.280 6.787 1.00 0.63 H new ATOM 0 HB2 HIS A 44 -0.658 -3.203 7.062 1.00 0.65 H new ATOM 0 HB3 HIS A 44 -0.671 -2.647 5.401 1.00 0.65 H new ATOM 0 HD1 HIS A 44 -3.898 -1.737 5.850 1.00 1.67 H new ATOM 0 HD2 HIS A 44 -0.546 -0.493 7.896 1.00 1.54 H new ATOM 0 HE1 HIS A 44 -4.427 0.468 6.864 1.00 2.24 H new ATOM 707 N ALA A 45 -2.636 -3.495 3.592 1.00 0.57 N ATOM 708 CA ALA A 45 -3.458 -3.057 2.435 1.00 0.62 C ATOM 709 C ALA A 45 -4.538 -4.087 2.209 1.00 0.59 C ATOM 710 O ALA A 45 -5.587 -3.790 1.679 1.00 0.61 O ATOM 711 CB ALA A 45 -2.613 -2.969 1.177 1.00 0.70 C ATOM 0 H ALA A 45 -1.662 -3.717 3.388 1.00 0.57 H new ATOM 0 HA ALA A 45 -3.880 -2.075 2.648 1.00 0.62 H new ATOM 0 HB1 ALA A 45 -3.235 -2.646 0.342 1.00 0.70 H new ATOM 0 HB2 ALA A 45 -1.808 -2.250 1.329 1.00 0.70 H new ATOM 0 HB3 ALA A 45 -2.188 -3.948 0.955 1.00 0.70 H new ATOM 717 N ASP A 46 -4.257 -5.288 2.613 1.00 0.60 N ATOM 718 CA ASP A 46 -5.283 -6.337 2.407 1.00 0.65 C ATOM 719 C ASP A 46 -6.331 -6.191 3.470 1.00 0.65 C ATOM 720 O ASP A 46 -7.477 -6.482 3.232 1.00 0.65 O ATOM 721 CB ASP A 46 -4.699 -7.711 2.547 1.00 0.76 C ATOM 722 CG ASP A 46 -5.693 -8.733 1.995 1.00 0.88 C ATOM 723 OD1 ASP A 46 -5.722 -8.846 0.784 1.00 1.45 O ATOM 724 OD2 ASP A 46 -6.364 -9.357 2.793 1.00 1.04 O ATOM 0 H ASP A 46 -3.391 -5.583 3.063 1.00 0.60 H new ATOM 0 HA ASP A 46 -5.692 -6.219 1.403 1.00 0.65 H new ATOM 0 HB2 ASP A 46 -3.754 -7.775 2.007 1.00 0.76 H new ATOM 0 HB3 ASP A 46 -4.483 -7.923 3.594 1.00 0.76 H new ATOM 729 N GLU A 47 -5.948 -5.740 4.627 1.00 0.71 N ATOM 730 CA GLU A 47 -6.967 -5.619 5.693 1.00 0.81 C ATOM 731 C GLU A 47 -8.045 -4.624 5.336 1.00 0.75 C ATOM 732 O GLU A 47 -9.219 -4.860 5.549 1.00 0.81 O ATOM 733 CB GLU A 47 -6.328 -5.167 7.016 1.00 0.97 C ATOM 734 CG GLU A 47 -6.139 -6.362 7.959 1.00 1.17 C ATOM 735 CD GLU A 47 -7.510 -6.934 8.359 1.00 1.52 C ATOM 736 OE1 GLU A 47 -8.501 -6.380 7.922 1.00 2.02 O ATOM 737 OE2 GLU A 47 -7.522 -7.910 9.087 1.00 1.97 O ATOM 0 H GLU A 47 -5.000 -5.457 4.875 1.00 0.71 H new ATOM 0 HA GLU A 47 -7.410 -6.609 5.802 1.00 0.81 H new ATOM 0 HB2 GLU A 47 -5.365 -4.696 6.819 1.00 0.97 H new ATOM 0 HB3 GLU A 47 -6.958 -4.416 7.493 1.00 0.97 H new ATOM 0 HG2 GLU A 47 -5.543 -7.132 7.470 1.00 1.17 H new ATOM 0 HG3 GLU A 47 -5.591 -6.052 8.849 1.00 1.17 H new ATOM 744 N LEU A 48 -7.644 -3.515 4.787 1.00 0.72 N ATOM 745 CA LEU A 48 -8.697 -2.529 4.443 1.00 0.77 C ATOM 746 C LEU A 48 -9.539 -3.036 3.294 1.00 0.68 C ATOM 747 O LEU A 48 -10.500 -2.407 2.909 1.00 0.93 O ATOM 748 CB LEU A 48 -8.037 -1.185 4.080 1.00 0.85 C ATOM 749 CG LEU A 48 -6.911 -1.272 3.023 1.00 0.87 C ATOM 750 CD1 LEU A 48 -7.458 -1.500 1.602 1.00 1.52 C ATOM 751 CD2 LEU A 48 -6.140 0.053 3.045 1.00 1.40 C ATOM 0 H LEU A 48 -6.681 -3.256 4.570 1.00 0.72 H new ATOM 0 HA LEU A 48 -9.352 -2.385 5.303 1.00 0.77 H new ATOM 0 HB2 LEU A 48 -8.807 -0.507 3.713 1.00 0.85 H new ATOM 0 HB3 LEU A 48 -7.628 -0.741 4.988 1.00 0.85 H new ATOM 0 HG LEU A 48 -6.273 -2.121 3.271 1.00 0.87 H new ATOM 0 HD11 LEU A 48 -6.628 -1.554 0.897 1.00 1.52 H new ATOM 0 HD12 LEU A 48 -8.019 -2.434 1.574 1.00 1.52 H new ATOM 0 HD13 LEU A 48 -8.114 -0.674 1.328 1.00 1.52 H new ATOM 0 HD21 LEU A 48 -5.338 0.020 2.308 1.00 1.40 H new ATOM 0 HD22 LEU A 48 -6.818 0.873 2.807 1.00 1.40 H new ATOM 0 HD23 LEU A 48 -5.715 0.210 4.036 1.00 1.40 H new ATOM 763 N TYR A 49 -9.140 -4.165 2.785 1.00 0.59 N ATOM 764 CA TYR A 49 -9.849 -4.808 1.654 1.00 0.54 C ATOM 765 C TYR A 49 -10.438 -6.130 2.142 1.00 0.59 C ATOM 766 O TYR A 49 -11.165 -6.808 1.444 1.00 0.82 O ATOM 767 CB TYR A 49 -8.818 -5.016 0.540 1.00 0.61 C ATOM 768 CG TYR A 49 -9.238 -6.177 -0.349 1.00 0.64 C ATOM 769 CD1 TYR A 49 -10.285 -6.052 -1.231 1.00 1.29 C ATOM 770 CD2 TYR A 49 -8.559 -7.373 -0.265 1.00 1.33 C ATOM 771 CE1 TYR A 49 -10.654 -7.113 -2.023 1.00 1.32 C ATOM 772 CE2 TYR A 49 -8.923 -8.435 -1.053 1.00 1.40 C ATOM 773 CZ TYR A 49 -9.974 -8.312 -1.939 1.00 0.85 C ATOM 774 OH TYR A 49 -10.348 -9.373 -2.736 1.00 0.99 O ATOM 0 H TYR A 49 -8.326 -4.682 3.119 1.00 0.59 H new ATOM 0 HA TYR A 49 -10.670 -4.200 1.273 1.00 0.54 H new ATOM 0 HB2 TYR A 49 -8.725 -4.107 -0.055 1.00 0.61 H new ATOM 0 HB3 TYR A 49 -7.838 -5.215 0.973 1.00 0.61 H new ATOM 0 HD1 TYR A 49 -10.820 -5.116 -1.302 1.00 1.29 H new ATOM 0 HD2 TYR A 49 -7.735 -7.475 0.426 1.00 1.33 H new ATOM 0 HE1 TYR A 49 -11.478 -7.009 -2.713 1.00 1.32 H new ATOM 0 HE2 TYR A 49 -8.386 -9.369 -0.980 1.00 1.40 H new ATOM 0 HH TYR A 49 -9.767 -10.140 -2.553 1.00 0.99 H new ATOM 784 N ARG A 50 -10.105 -6.466 3.350 1.00 0.71 N ATOM 785 CA ARG A 50 -10.583 -7.740 3.928 1.00 0.95 C ATOM 786 C ARG A 50 -11.625 -7.555 5.010 1.00 1.15 C ATOM 787 O ARG A 50 -12.801 -7.492 4.712 1.00 1.19 O ATOM 788 CB ARG A 50 -9.344 -8.455 4.457 1.00 1.20 C ATOM 789 CG ARG A 50 -9.671 -9.838 4.971 1.00 1.44 C ATOM 790 CD ARG A 50 -8.377 -10.421 5.571 1.00 1.54 C ATOM 791 NE ARG A 50 -7.805 -9.456 6.555 1.00 1.70 N ATOM 792 CZ ARG A 50 -6.500 -9.300 6.580 1.00 1.79 C ATOM 793 NH1 ARG A 50 -5.895 -8.913 5.482 1.00 2.21 N ATOM 794 NH2 ARG A 50 -5.856 -9.537 7.701 1.00 2.29 N ATOM 0 H ARG A 50 -9.516 -5.906 3.966 1.00 0.71 H new ATOM 0 HA ARG A 50 -11.093 -8.327 3.164 1.00 0.95 H new ATOM 0 HB2 ARG A 50 -8.600 -8.529 3.664 1.00 1.20 H new ATOM 0 HB3 ARG A 50 -8.898 -7.865 5.258 1.00 1.20 H new ATOM 0 HG2 ARG A 50 -10.457 -9.792 5.724 1.00 1.44 H new ATOM 0 HG3 ARG A 50 -10.040 -10.471 4.164 1.00 1.44 H new ATOM 0 HD2 ARG A 50 -8.587 -11.373 6.059 1.00 1.54 H new ATOM 0 HD3 ARG A 50 -7.655 -10.621 4.780 1.00 1.54 H new ATOM 0 HE ARG A 50 -8.409 -8.933 7.189 1.00 1.70 H new ATOM 0 HH11 ARG A 50 -6.437 -8.740 4.635 1.00 2.21 H new ATOM 0 HH12 ARG A 50 -4.883 -8.785 5.475 1.00 2.21 H new ATOM 0 HH21 ARG A 50 -6.369 -9.836 8.530 1.00 2.29 H new ATOM 0 HH22 ARG A 50 -4.843 -9.422 7.742 1.00 2.29 H new ATOM 808 N SER A 51 -11.190 -7.470 6.235 1.00 1.40 N ATOM 809 CA SER A 51 -12.180 -7.319 7.321 1.00 1.77 C ATOM 810 C SER A 51 -13.071 -6.130 7.009 1.00 1.70 C ATOM 811 O SER A 51 -14.263 -6.177 7.221 1.00 1.91 O ATOM 812 CB SER A 51 -11.409 -7.133 8.608 1.00 2.04 C ATOM 813 OG SER A 51 -10.505 -8.232 8.564 1.00 2.11 O ATOM 0 H SER A 51 -10.212 -7.498 6.522 1.00 1.40 H new ATOM 0 HA SER A 51 -12.825 -8.193 7.418 1.00 1.77 H new ATOM 0 HB2 SER A 51 -10.889 -6.176 8.639 1.00 2.04 H new ATOM 0 HB3 SER A 51 -12.058 -7.171 9.483 1.00 2.04 H new ATOM 0 HG SER A 51 -9.844 -8.141 9.282 1.00 2.11 H new ATOM 819 N CYS A 52 -12.486 -5.083 6.507 1.00 1.50 N ATOM 820 CA CYS A 52 -13.347 -3.923 6.176 1.00 1.60 C ATOM 821 C CYS A 52 -14.254 -4.342 5.060 1.00 1.30 C ATOM 822 O CYS A 52 -15.424 -4.053 5.124 1.00 1.42 O ATOM 823 CB CYS A 52 -12.518 -2.737 5.687 1.00 1.71 C ATOM 824 SG CYS A 52 -11.371 -1.969 6.859 1.00 2.41 S ATOM 0 H CYS A 52 -11.489 -4.981 6.318 1.00 1.50 H new ATOM 0 HA CYS A 52 -13.896 -3.620 7.068 1.00 1.60 H new ATOM 0 HB2 CYS A 52 -11.943 -3.065 4.821 1.00 1.71 H new ATOM 0 HB3 CYS A 52 -13.207 -1.967 5.339 1.00 1.71 H new ATOM 0 HG CYS A 52 -12.007 -1.091 7.576 1.00 2.41 H new ATOM 830 N LEU A 53 -13.750 -5.011 4.066 1.00 1.00 N ATOM 831 CA LEU A 53 -14.679 -5.361 2.964 1.00 0.95 C ATOM 832 C LEU A 53 -15.886 -6.123 3.461 1.00 1.09 C ATOM 833 O LEU A 53 -16.909 -6.095 2.805 1.00 1.19 O ATOM 834 CB LEU A 53 -13.956 -6.203 1.934 1.00 0.98 C ATOM 835 CG LEU A 53 -14.872 -6.545 0.739 1.00 1.21 C ATOM 836 CD1 LEU A 53 -15.545 -5.279 0.147 1.00 1.56 C ATOM 837 CD2 LEU A 53 -13.985 -7.165 -0.340 1.00 1.58 C ATOM 0 H LEU A 53 -12.782 -5.318 3.968 1.00 1.00 H new ATOM 0 HA LEU A 53 -15.025 -4.427 2.520 1.00 0.95 H new ATOM 0 HB2 LEU A 53 -13.076 -5.668 1.578 1.00 0.98 H new ATOM 0 HB3 LEU A 53 -13.603 -7.124 2.398 1.00 0.98 H new ATOM 0 HG LEU A 53 -15.661 -7.219 1.074 1.00 1.21 H new ATOM 0 HD11 LEU A 53 -16.181 -5.563 -0.691 1.00 1.56 H new ATOM 0 HD12 LEU A 53 -16.150 -4.796 0.914 1.00 1.56 H new ATOM 0 HD13 LEU A 53 -14.777 -4.587 -0.198 1.00 1.56 H new ATOM 0 HD21 LEU A 53 -14.593 -7.423 -1.207 1.00 1.58 H new ATOM 0 HD22 LEU A 53 -13.217 -6.450 -0.635 1.00 1.58 H new ATOM 0 HD23 LEU A 53 -13.511 -8.065 0.052 1.00 1.58 H new ATOM 849 N ALA A 54 -15.730 -6.774 4.584 1.00 1.32 N ATOM 850 CA ALA A 54 -16.881 -7.529 5.163 1.00 1.66 C ATOM 851 C ALA A 54 -18.108 -6.647 5.028 1.00 1.77 C ATOM 852 O ALA A 54 -19.172 -7.094 4.653 1.00 2.00 O ATOM 853 CB ALA A 54 -16.664 -7.808 6.639 1.00 1.85 C ATOM 0 H ALA A 54 -14.864 -6.816 5.121 1.00 1.32 H new ATOM 0 HA ALA A 54 -16.991 -8.480 4.641 1.00 1.66 H new ATOM 0 HB1 ALA A 54 -17.517 -8.359 7.034 1.00 1.85 H new ATOM 0 HB2 ALA A 54 -15.758 -8.401 6.768 1.00 1.85 H new ATOM 0 HB3 ALA A 54 -16.560 -6.865 7.176 1.00 1.85 H new ATOM 859 N ARG A 55 -17.904 -5.403 5.349 1.00 1.75 N ATOM 860 CA ARG A 55 -19.007 -4.425 5.242 1.00 1.93 C ATOM 861 C ARG A 55 -18.565 -3.511 4.107 1.00 1.58 C ATOM 862 O ARG A 55 -19.097 -3.556 3.016 1.00 1.71 O ATOM 863 CB ARG A 55 -19.121 -3.662 6.556 1.00 2.36 C ATOM 864 CG ARG A 55 -20.459 -2.912 6.537 1.00 2.73 C ATOM 865 CD ARG A 55 -20.675 -2.297 7.913 1.00 3.04 C ATOM 866 NE ARG A 55 -19.484 -1.480 8.230 1.00 2.92 N ATOM 867 CZ ARG A 55 -19.642 -0.227 8.564 1.00 3.13 C ATOM 868 NH1 ARG A 55 -20.131 0.590 7.659 1.00 3.41 N ATOM 869 NH2 ARG A 55 -19.303 0.136 9.780 1.00 3.65 N ATOM 0 H ARG A 55 -17.017 -5.024 5.681 1.00 1.75 H new ATOM 0 HA ARG A 55 -19.983 -4.871 5.050 1.00 1.93 H new ATOM 0 HB2 ARG A 55 -19.077 -4.347 7.403 1.00 2.36 H new ATOM 0 HB3 ARG A 55 -18.291 -2.964 6.668 1.00 2.36 H new ATOM 0 HG2 ARG A 55 -20.450 -2.137 5.771 1.00 2.73 H new ATOM 0 HG3 ARG A 55 -21.274 -3.593 6.292 1.00 2.73 H new ATOM 0 HD2 ARG A 55 -21.574 -1.681 7.920 1.00 3.04 H new ATOM 0 HD3 ARG A 55 -20.816 -3.076 8.663 1.00 3.04 H new ATOM 0 HE ARG A 55 -18.551 -1.890 8.188 1.00 2.92 H new ATOM 0 HH11 ARG A 55 -20.373 0.239 6.732 1.00 3.41 H new ATOM 0 HH12 ARG A 55 -20.269 1.576 7.883 1.00 3.41 H new ATOM 0 HH21 ARG A 55 -18.929 -0.553 10.432 1.00 3.65 H new ATOM 0 HH22 ARG A 55 -19.414 1.107 10.072 1.00 3.65 H new ATOM 883 N PHE A 56 -17.584 -2.728 4.443 1.00 1.42 N ATOM 884 CA PHE A 56 -16.909 -1.733 3.573 1.00 1.63 C ATOM 885 C PHE A 56 -16.365 -0.743 4.586 1.00 2.45 C ATOM 886 O PHE A 56 -16.681 0.429 4.582 1.00 3.11 O ATOM 887 CB PHE A 56 -17.850 -0.959 2.641 1.00 1.48 C ATOM 888 CG PHE A 56 -16.895 -0.230 1.700 1.00 1.19 C ATOM 889 CD1 PHE A 56 -16.093 -0.968 0.853 1.00 1.30 C ATOM 890 CD2 PHE A 56 -16.808 1.144 1.683 1.00 1.63 C ATOM 891 CE1 PHE A 56 -15.216 -0.339 0.002 1.00 1.24 C ATOM 892 CE2 PHE A 56 -15.926 1.773 0.828 1.00 1.51 C ATOM 893 CZ PHE A 56 -15.129 1.033 -0.015 1.00 0.99 C ATOM 0 H PHE A 56 -17.188 -2.746 5.383 1.00 1.42 H new ATOM 0 HA PHE A 56 -16.190 -2.226 2.918 1.00 1.63 H new ATOM 0 HB2 PHE A 56 -18.517 -1.628 2.097 1.00 1.48 H new ATOM 0 HB3 PHE A 56 -18.479 -0.262 3.194 1.00 1.48 H new ATOM 0 HD1 PHE A 56 -16.155 -2.046 0.859 1.00 1.30 H new ATOM 0 HD2 PHE A 56 -17.432 1.731 2.341 1.00 1.63 H new ATOM 0 HE1 PHE A 56 -14.592 -0.925 -0.656 1.00 1.24 H new ATOM 0 HE2 PHE A 56 -15.861 2.851 0.821 1.00 1.51 H new ATOM 0 HZ PHE A 56 -14.440 1.526 -0.685 1.00 0.99 H new ATOM 903 N GLY A 57 -15.545 -1.265 5.446 1.00 2.70 N ATOM 904 CA GLY A 57 -14.959 -0.405 6.505 1.00 3.77 C ATOM 905 C GLY A 57 -15.827 -0.571 7.733 1.00 4.43 C ATOM 906 O GLY A 57 -17.029 -0.666 7.592 1.00 4.85 O ATOM 0 H GLY A 57 -15.256 -2.243 5.463 1.00 2.70 H new ATOM 0 HA2 GLY A 57 -13.931 -0.698 6.716 1.00 3.77 H new ATOM 0 HA3 GLY A 57 -14.934 0.637 6.187 1.00 3.77 H new ATOM 910 N ASP A 58 -15.220 -0.603 8.891 1.00 4.82 N ATOM 911 CA ASP A 58 -16.011 -0.776 10.142 1.00 5.78 C ATOM 912 C ASP A 58 -15.421 -0.088 11.347 1.00 6.31 C ATOM 913 O ASP A 58 -16.136 0.189 12.289 1.00 6.58 O ATOM 914 CB ASP A 58 -16.137 -2.236 10.541 1.00 6.24 C ATOM 915 CG ASP A 58 -17.229 -2.880 9.718 1.00 6.76 C ATOM 916 OD1 ASP A 58 -16.903 -3.367 8.650 1.00 7.19 O ATOM 917 OD2 ASP A 58 -18.340 -2.838 10.217 1.00 6.88 O ATOM 0 H ASP A 58 -14.212 -0.517 9.023 1.00 4.82 H new ATOM 0 HA ASP A 58 -16.973 -0.330 9.887 1.00 5.78 H new ATOM 0 HB2 ASP A 58 -15.191 -2.753 10.381 1.00 6.24 H new ATOM 0 HB3 ASP A 58 -16.369 -2.317 11.603 1.00 6.24 H new ATOM 922 N ASP A 59 -14.148 0.182 11.327 1.00 6.74 N ATOM 923 CA ASP A 59 -13.589 0.828 12.543 1.00 7.58 C ATOM 924 C ASP A 59 -14.047 2.255 12.691 1.00 8.01 C ATOM 925 O ASP A 59 -13.801 3.078 11.835 1.00 8.18 O ATOM 926 CB ASP A 59 -12.083 0.889 12.532 1.00 8.09 C ATOM 927 CG ASP A 59 -11.720 1.602 13.836 1.00 8.40 C ATOM 928 OD1 ASP A 59 -12.026 1.018 14.863 1.00 8.62 O ATOM 929 OD2 ASP A 59 -11.164 2.683 13.744 1.00 8.56 O ATOM 0 H ASP A 59 -13.498 -0.005 10.563 1.00 6.74 H new ATOM 0 HA ASP A 59 -13.948 0.205 13.362 1.00 7.58 H new ATOM 0 HB2 ASP A 59 -11.645 -0.108 12.490 1.00 8.09 H new ATOM 0 HB3 ASP A 59 -11.714 1.436 11.664 1.00 8.09 H new ATOM 934 N GLY A 60 -14.703 2.515 13.780 1.00 8.32 N ATOM 935 CA GLY A 60 -15.185 3.893 14.029 1.00 8.93 C ATOM 936 C GLY A 60 -16.244 4.307 13.014 1.00 9.28 C ATOM 937 O GLY A 60 -17.423 4.165 13.275 1.00 9.74 O ATOM 0 H GLY A 60 -14.926 1.835 14.507 1.00 8.32 H new ATOM 0 HA2 GLY A 60 -15.599 3.958 15.035 1.00 8.93 H new ATOM 0 HA3 GLY A 60 -14.346 4.587 13.984 1.00 8.93 H new ATOM 941 N GLU A 61 -15.768 4.798 11.902 1.00 9.25 N ATOM 942 CA GLU A 61 -16.618 5.285 10.785 1.00 9.85 C ATOM 943 C GLU A 61 -17.213 6.600 11.267 1.00 10.44 C ATOM 944 O GLU A 61 -17.143 6.929 12.437 1.00 10.96 O ATOM 945 CB GLU A 61 -17.739 4.260 10.464 1.00 9.95 C ATOM 946 CG GLU A 61 -18.311 4.573 9.084 1.00 9.52 C ATOM 947 CD GLU A 61 -19.162 3.404 8.629 1.00 9.36 C ATOM 948 OE1 GLU A 61 -19.943 2.921 9.432 1.00 9.14 O ATOM 949 OE2 GLU A 61 -18.982 3.042 7.482 1.00 9.60 O ATOM 0 H GLU A 61 -14.768 4.884 11.718 1.00 9.25 H new ATOM 0 HA GLU A 61 -16.043 5.417 9.869 1.00 9.85 H new ATOM 0 HB2 GLU A 61 -17.341 3.246 10.486 1.00 9.95 H new ATOM 0 HB3 GLU A 61 -18.524 4.311 11.218 1.00 9.95 H new ATOM 0 HG2 GLU A 61 -18.910 5.483 9.122 1.00 9.52 H new ATOM 0 HG3 GLU A 61 -17.504 4.751 8.373 1.00 9.52 H new ATOM 956 N ASN A 62 -17.785 7.323 10.352 1.00 10.52 N ATOM 957 CA ASN A 62 -18.388 8.635 10.692 1.00 11.24 C ATOM 958 C ASN A 62 -19.771 8.637 10.109 1.00 11.48 C ATOM 959 O ASN A 62 -19.959 8.207 8.989 1.00 11.62 O ATOM 960 CB ASN A 62 -17.607 9.776 10.060 1.00 11.72 C ATOM 961 CG ASN A 62 -18.286 11.098 10.439 1.00 12.30 C ATOM 962 OD1 ASN A 62 -19.433 11.421 9.904 1.00 12.60 O flip ATOM 963 ND2 ASN A 62 -17.766 11.857 11.236 1.00 12.60 N flip ATOM 0 H ASN A 62 -17.861 7.057 9.370 1.00 10.52 H new ATOM 0 HA ASN A 62 -18.387 8.774 11.773 1.00 11.24 H new ATOM 0 HB2 ASN A 62 -16.574 9.767 10.408 1.00 11.72 H new ATOM 0 HB3 ASN A 62 -17.579 9.661 8.976 1.00 11.72 H new ATOM 0 HD21 ASN A 62 -16.870 11.616 11.660 1.00 12.60 H new ATOM 0 HD22 ASN A 62 -18.226 12.734 11.479 1.00 12.60 H new ATOM 970 N LEU A 63 -20.700 9.121 10.880 1.00 11.67 N ATOM 971 CA LEU A 63 -22.100 9.183 10.409 1.00 12.09 C ATOM 972 C LEU A 63 -22.370 10.667 10.404 1.00 12.33 C ATOM 973 O LEU A 63 -23.061 11.110 9.509 1.00 12.50 O ATOM 974 CB LEU A 63 -23.066 8.510 11.392 1.00 12.49 C ATOM 975 CG LEU A 63 -22.843 6.975 11.484 1.00 12.64 C ATOM 976 CD1 LEU A 63 -21.561 6.602 12.263 1.00 12.78 C ATOM 977 CD2 LEU A 63 -24.055 6.339 12.185 1.00 12.96 C ATOM 978 OXT LEU A 63 -21.840 11.260 11.326 1.00 12.46 O ATOM 0 H LEU A 63 -20.544 9.478 11.823 1.00 11.67 H new ATOM 0 HA LEU A 63 -22.238 8.680 9.452 1.00 12.09 H new ATOM 0 HB2 LEU A 63 -22.941 8.952 12.380 1.00 12.49 H new ATOM 0 HB3 LEU A 63 -24.092 8.707 11.082 1.00 12.49 H new ATOM 0 HG LEU A 63 -22.728 6.599 10.467 1.00 12.64 H new ATOM 0 HD11 LEU A 63 -21.457 5.517 12.295 1.00 12.78 H new ATOM 0 HD12 LEU A 63 -20.694 7.035 11.765 1.00 12.78 H new ATOM 0 HD13 LEU A 63 -21.627 6.990 13.279 1.00 12.78 H new ATOM 0 HD21 LEU A 63 -23.910 5.261 12.256 1.00 12.96 H new ATOM 0 HD22 LEU A 63 -24.157 6.758 13.186 1.00 12.96 H new ATOM 0 HD23 LEU A 63 -24.958 6.547 11.611 1.00 12.96 H new TER 990 LEU A 63 ATOM 991 N MET B 1 20.728 3.590 -0.106 1.00 3.37 N ATOM 992 CA MET B 1 22.160 3.918 0.028 1.00 3.57 C ATOM 993 C MET B 1 22.730 3.764 -1.370 1.00 3.47 C ATOM 994 O MET B 1 23.314 4.681 -1.910 1.00 4.06 O ATOM 995 CB MET B 1 22.875 2.946 0.977 1.00 3.97 C ATOM 996 CG MET B 1 22.187 2.984 2.352 1.00 4.33 C ATOM 997 SD MET B 1 23.036 2.154 3.717 1.00 4.83 S ATOM 998 CE MET B 1 23.910 3.603 4.358 1.00 5.37 C ATOM 0 H1 MET B 1 20.162 4.283 0.424 1.00 3.37 H new ATOM 0 H2 MET B 1 20.458 3.617 -1.110 1.00 3.37 H new ATOM 0 H3 MET B 1 20.553 2.638 0.274 1.00 3.37 H new ATOM 0 HA MET B 1 22.295 4.918 0.440 1.00 3.57 H new ATOM 0 HB2 MET B 1 22.847 1.935 0.571 1.00 3.97 H new ATOM 0 HB3 MET B 1 23.925 3.221 1.075 1.00 3.97 H new ATOM 0 HG2 MET B 1 22.040 4.028 2.629 1.00 4.33 H new ATOM 0 HG3 MET B 1 21.197 2.540 2.248 1.00 4.33 H new ATOM 0 HE1 MET B 1 24.509 3.314 5.222 1.00 5.37 H new ATOM 0 HE2 MET B 1 24.562 4.007 3.583 1.00 5.37 H new ATOM 0 HE3 MET B 1 23.187 4.362 4.655 1.00 5.37 H new ATOM 1010 N THR B 2 22.543 2.604 -1.923 1.00 2.92 N ATOM 1011 CA THR B 2 23.048 2.346 -3.278 1.00 2.99 C ATOM 1012 C THR B 2 21.971 2.935 -4.190 1.00 2.72 C ATOM 1013 O THR B 2 21.060 3.586 -3.713 1.00 2.84 O ATOM 1014 CB THR B 2 23.193 0.844 -3.376 1.00 3.22 C ATOM 1015 OG1 THR B 2 23.354 0.499 -2.003 1.00 3.49 O ATOM 1016 CG2 THR B 2 24.541 0.465 -4.009 1.00 4.02 C ATOM 0 H THR B 2 22.057 1.822 -1.485 1.00 2.92 H new ATOM 0 HA THR B 2 24.011 2.783 -3.542 1.00 2.99 H new ATOM 0 HB THR B 2 22.379 0.385 -3.937 1.00 3.22 H new ATOM 0 HG1 THR B 2 23.459 -0.472 -1.920 1.00 3.49 H new ATOM 0 HG21 THR B 2 24.622 -0.620 -4.069 1.00 4.02 H new ATOM 0 HG22 THR B 2 24.605 0.890 -5.011 1.00 4.02 H new ATOM 0 HG23 THR B 2 25.353 0.857 -3.397 1.00 4.02 H new ATOM 1024 N LYS B 3 22.086 2.702 -5.467 1.00 2.63 N ATOM 1025 CA LYS B 3 21.077 3.281 -6.387 1.00 2.60 C ATOM 1026 C LYS B 3 19.913 2.319 -6.572 1.00 2.17 C ATOM 1027 O LYS B 3 18.790 2.637 -6.249 1.00 2.07 O ATOM 1028 CB LYS B 3 21.739 3.566 -7.739 1.00 3.03 C ATOM 1029 CG LYS B 3 23.131 4.222 -7.517 1.00 3.61 C ATOM 1030 CD LYS B 3 23.062 5.498 -6.638 1.00 3.98 C ATOM 1031 CE LYS B 3 22.265 6.605 -7.353 1.00 4.65 C ATOM 1032 NZ LYS B 3 22.873 6.919 -8.680 1.00 4.95 N ATOM 0 H LYS B 3 22.821 2.146 -5.905 1.00 2.63 H new ATOM 0 HA LYS B 3 20.692 4.208 -5.962 1.00 2.60 H new ATOM 0 HB2 LYS B 3 21.849 2.640 -8.303 1.00 3.03 H new ATOM 0 HB3 LYS B 3 21.106 4.226 -8.332 1.00 3.03 H new ATOM 0 HG2 LYS B 3 23.797 3.499 -7.047 1.00 3.61 H new ATOM 0 HG3 LYS B 3 23.566 4.476 -8.484 1.00 3.61 H new ATOM 0 HD2 LYS B 3 22.593 5.263 -5.683 1.00 3.98 H new ATOM 0 HD3 LYS B 3 24.070 5.851 -6.420 1.00 3.98 H new ATOM 0 HE2 LYS B 3 21.231 6.287 -7.487 1.00 4.65 H new ATOM 0 HE3 LYS B 3 22.245 7.503 -6.735 1.00 4.65 H new ATOM 0 HZ1 LYS B 3 22.864 7.948 -8.831 1.00 4.95 H new ATOM 0 HZ2 LYS B 3 23.854 6.575 -8.703 1.00 4.95 H new ATOM 0 HZ3 LYS B 3 22.325 6.453 -9.432 1.00 4.95 H new ATOM 1046 N GLN B 4 20.217 1.165 -7.095 1.00 2.02 N ATOM 1047 CA GLN B 4 19.156 0.151 -7.330 1.00 1.74 C ATOM 1048 C GLN B 4 18.232 -0.019 -6.136 1.00 1.34 C ATOM 1049 O GLN B 4 17.029 -0.083 -6.285 1.00 1.25 O ATOM 1050 CB GLN B 4 19.793 -1.231 -7.670 1.00 1.87 C ATOM 1051 CG GLN B 4 20.903 -1.672 -6.687 1.00 2.66 C ATOM 1052 CD GLN B 4 22.195 -0.912 -6.998 1.00 3.34 C ATOM 1053 OE1 GLN B 4 22.549 0.038 -6.326 1.00 3.63 O ATOM 1054 NE2 GLN B 4 22.925 -1.293 -8.009 1.00 4.09 N ATOM 0 H GLN B 4 21.157 0.881 -7.370 1.00 2.02 H new ATOM 0 HA GLN B 4 18.562 0.516 -8.168 1.00 1.74 H new ATOM 0 HB2 GLN B 4 19.009 -1.988 -7.680 1.00 1.87 H new ATOM 0 HB3 GLN B 4 20.209 -1.190 -8.677 1.00 1.87 H new ATOM 0 HG2 GLN B 4 20.592 -1.477 -5.661 1.00 2.66 H new ATOM 0 HG3 GLN B 4 21.071 -2.746 -6.771 1.00 2.66 H new ATOM 0 HE21 GLN B 4 22.634 -2.089 -8.577 1.00 4.09 H new ATOM 0 HE22 GLN B 4 23.787 -0.795 -8.232 1.00 4.09 H new ATOM 1063 N GLU B 5 18.796 -0.087 -4.971 1.00 1.21 N ATOM 1064 CA GLU B 5 17.919 -0.266 -3.796 1.00 0.96 C ATOM 1065 C GLU B 5 17.104 0.989 -3.538 1.00 0.95 C ATOM 1066 O GLU B 5 15.985 0.921 -3.071 1.00 0.82 O ATOM 1067 CB GLU B 5 18.803 -0.607 -2.612 1.00 1.13 C ATOM 1068 CG GLU B 5 20.049 0.254 -2.594 1.00 1.56 C ATOM 1069 CD GLU B 5 19.947 1.123 -1.371 1.00 1.97 C ATOM 1070 OE1 GLU B 5 19.090 1.987 -1.378 1.00 2.36 O ATOM 1071 OE2 GLU B 5 20.747 0.878 -0.490 1.00 2.53 O ATOM 0 H GLU B 5 19.797 -0.028 -4.784 1.00 1.21 H new ATOM 0 HA GLU B 5 17.206 -1.072 -3.969 1.00 0.96 H new ATOM 0 HB2 GLU B 5 18.246 -0.465 -1.686 1.00 1.13 H new ATOM 0 HB3 GLU B 5 19.085 -1.659 -2.656 1.00 1.13 H new ATOM 0 HG2 GLU B 5 20.947 -0.363 -2.558 1.00 1.56 H new ATOM 0 HG3 GLU B 5 20.115 0.861 -3.497 1.00 1.56 H new ATOM 1078 N LYS B 6 17.670 2.118 -3.845 1.00 1.22 N ATOM 1079 CA LYS B 6 16.895 3.358 -3.612 1.00 1.36 C ATOM 1080 C LYS B 6 15.715 3.291 -4.565 1.00 1.20 C ATOM 1081 O LYS B 6 14.641 3.778 -4.274 1.00 1.18 O ATOM 1082 CB LYS B 6 17.766 4.594 -3.926 1.00 1.75 C ATOM 1083 CG LYS B 6 16.972 5.900 -3.679 1.00 2.49 C ATOM 1084 CD LYS B 6 16.583 6.013 -2.200 1.00 2.98 C ATOM 1085 CE LYS B 6 15.057 6.209 -2.109 1.00 3.67 C ATOM 1086 NZ LYS B 6 14.636 7.473 -2.768 1.00 3.78 N ATOM 0 H LYS B 6 18.605 2.235 -4.235 1.00 1.22 H new ATOM 0 HA LYS B 6 16.570 3.443 -2.575 1.00 1.36 H new ATOM 0 HB2 LYS B 6 18.660 4.583 -3.303 1.00 1.75 H new ATOM 0 HB3 LYS B 6 18.100 4.556 -4.963 1.00 1.75 H new ATOM 0 HG2 LYS B 6 17.574 6.761 -3.971 1.00 2.49 H new ATOM 0 HG3 LYS B 6 16.076 5.912 -4.300 1.00 2.49 H new ATOM 0 HD2 LYS B 6 16.882 5.115 -1.660 1.00 2.98 H new ATOM 0 HD3 LYS B 6 17.101 6.852 -1.735 1.00 2.98 H new ATOM 0 HE2 LYS B 6 14.551 5.365 -2.578 1.00 3.67 H new ATOM 0 HE3 LYS B 6 14.751 6.222 -1.063 1.00 3.67 H new ATOM 0 HZ1 LYS B 6 13.944 7.964 -2.167 1.00 3.78 H new ATOM 0 HZ2 LYS B 6 15.466 8.083 -2.911 1.00 3.78 H new ATOM 0 HZ3 LYS B 6 14.203 7.257 -3.689 1.00 3.78 H new ATOM 1100 N THR B 7 15.944 2.686 -5.689 1.00 1.23 N ATOM 1101 CA THR B 7 14.849 2.576 -6.668 1.00 1.25 C ATOM 1102 C THR B 7 13.775 1.694 -6.024 1.00 0.98 C ATOM 1103 O THR B 7 12.592 1.917 -6.191 1.00 0.93 O ATOM 1104 CB THR B 7 15.450 1.961 -7.921 1.00 1.53 C ATOM 1105 OG1 THR B 7 16.691 2.650 -8.013 1.00 1.77 O ATOM 1106 CG2 THR B 7 14.690 2.404 -9.180 1.00 1.82 C ATOM 0 H THR B 7 16.832 2.269 -5.967 1.00 1.23 H new ATOM 0 HA THR B 7 14.390 3.526 -6.941 1.00 1.25 H new ATOM 0 HB THR B 7 15.466 0.873 -7.866 1.00 1.53 H new ATOM 0 HG1 THR B 7 17.184 2.333 -8.799 1.00 1.77 H new ATOM 0 HG21 THR B 7 15.145 1.947 -10.059 1.00 1.82 H new ATOM 0 HG22 THR B 7 13.649 2.091 -9.106 1.00 1.82 H new ATOM 0 HG23 THR B 7 14.737 3.489 -9.270 1.00 1.82 H new ATOM 1114 N ALA B 8 14.212 0.708 -5.292 1.00 0.87 N ATOM 1115 CA ALA B 8 13.201 -0.175 -4.647 1.00 0.79 C ATOM 1116 C ALA B 8 12.399 0.678 -3.686 1.00 0.62 C ATOM 1117 O ALA B 8 11.193 0.568 -3.598 1.00 0.70 O ATOM 1118 CB ALA B 8 13.874 -1.291 -3.855 1.00 0.81 C ATOM 0 H ALA B 8 15.190 0.479 -5.116 1.00 0.87 H new ATOM 0 HA ALA B 8 12.572 -0.627 -5.414 1.00 0.79 H new ATOM 0 HB1 ALA B 8 13.113 -1.921 -3.395 1.00 0.81 H new ATOM 0 HB2 ALA B 8 14.487 -1.894 -4.525 1.00 0.81 H new ATOM 0 HB3 ALA B 8 14.504 -0.857 -3.079 1.00 0.81 H new ATOM 1124 N LEU B 9 13.097 1.517 -2.982 1.00 0.59 N ATOM 1125 CA LEU B 9 12.390 2.396 -2.019 1.00 0.73 C ATOM 1126 C LEU B 9 11.413 3.270 -2.787 1.00 0.60 C ATOM 1127 O LEU B 9 10.344 3.593 -2.310 1.00 0.61 O ATOM 1128 CB LEU B 9 13.413 3.274 -1.282 1.00 1.09 C ATOM 1129 CG LEU B 9 13.802 2.688 0.083 1.00 1.65 C ATOM 1130 CD1 LEU B 9 12.664 2.892 1.081 1.00 1.96 C ATOM 1131 CD2 LEU B 9 14.055 1.198 -0.049 1.00 2.37 C ATOM 0 H LEU B 9 14.109 1.632 -3.029 1.00 0.59 H new ATOM 0 HA LEU B 9 11.849 1.796 -1.288 1.00 0.73 H new ATOM 0 HB2 LEU B 9 14.306 3.383 -1.897 1.00 1.09 H new ATOM 0 HB3 LEU B 9 12.999 4.273 -1.142 1.00 1.09 H new ATOM 0 HG LEU B 9 14.702 3.194 0.432 1.00 1.65 H new ATOM 0 HD11 LEU B 9 12.948 2.474 2.047 1.00 1.96 H new ATOM 0 HD12 LEU B 9 12.464 3.958 1.192 1.00 1.96 H new ATOM 0 HD13 LEU B 9 11.767 2.390 0.718 1.00 1.96 H new ATOM 0 HD21 LEU B 9 14.331 0.788 0.923 1.00 2.37 H new ATOM 0 HD22 LEU B 9 13.151 0.706 -0.407 1.00 2.37 H new ATOM 0 HD23 LEU B 9 14.866 1.028 -0.758 1.00 2.37 H new ATOM 1143 N ASN B 10 11.796 3.641 -3.974 1.00 0.60 N ATOM 1144 CA ASN B 10 10.882 4.511 -4.761 1.00 0.63 C ATOM 1145 C ASN B 10 9.604 3.759 -5.050 1.00 0.57 C ATOM 1146 O ASN B 10 8.551 4.355 -5.149 1.00 0.57 O ATOM 1147 CB ASN B 10 11.504 4.908 -6.098 1.00 0.76 C ATOM 1148 CG ASN B 10 12.768 5.729 -5.844 1.00 1.34 C ATOM 1149 OD1 ASN B 10 12.986 6.230 -4.757 1.00 1.67 O ATOM 1150 ND2 ASN B 10 13.630 5.897 -6.811 1.00 2.15 N ATOM 0 H ASN B 10 12.676 3.389 -4.424 1.00 0.60 H new ATOM 0 HA ASN B 10 10.690 5.409 -4.174 1.00 0.63 H new ATOM 0 HB2 ASN B 10 11.746 4.018 -6.678 1.00 0.76 H new ATOM 0 HB3 ASN B 10 10.792 5.488 -6.685 1.00 0.76 H new ATOM 0 HD21 ASN B 10 14.476 6.444 -6.651 1.00 2.15 H new ATOM 0 HD22 ASN B 10 13.457 5.481 -7.726 1.00 2.15 H new ATOM 1157 N MET B 11 9.709 2.467 -5.184 1.00 0.60 N ATOM 1158 CA MET B 11 8.467 1.706 -5.466 1.00 0.65 C ATOM 1159 C MET B 11 7.574 1.818 -4.250 1.00 0.62 C ATOM 1160 O MET B 11 6.381 1.993 -4.380 1.00 0.68 O ATOM 1161 CB MET B 11 8.789 0.229 -5.730 1.00 0.77 C ATOM 1162 CG MET B 11 7.477 -0.552 -5.907 1.00 1.18 C ATOM 1163 SD MET B 11 6.267 0.096 -7.089 1.00 1.98 S ATOM 1164 CE MET B 11 7.074 -0.437 -8.618 1.00 2.42 C ATOM 0 H MET B 11 10.569 1.923 -5.113 1.00 0.60 H new ATOM 0 HA MET B 11 7.975 2.110 -6.351 1.00 0.65 H new ATOM 0 HB2 MET B 11 9.406 0.133 -6.623 1.00 0.77 H new ATOM 0 HB3 MET B 11 9.363 -0.184 -4.900 1.00 0.77 H new ATOM 0 HG2 MET B 11 7.729 -1.569 -6.208 1.00 1.18 H new ATOM 0 HG3 MET B 11 6.992 -0.619 -4.933 1.00 1.18 H new ATOM 0 HE1 MET B 11 6.474 -0.127 -9.473 1.00 2.42 H new ATOM 0 HE2 MET B 11 8.063 0.017 -8.685 1.00 2.42 H new ATOM 0 HE3 MET B 11 7.173 -1.523 -8.618 1.00 2.42 H new ATOM 1174 N ALA B 12 8.165 1.717 -3.094 1.00 0.58 N ATOM 1175 CA ALA B 12 7.336 1.815 -1.859 1.00 0.62 C ATOM 1176 C ALA B 12 6.607 3.140 -1.903 1.00 0.56 C ATOM 1177 O ALA B 12 5.436 3.244 -1.595 1.00 0.57 O ATOM 1178 CB ALA B 12 8.210 1.792 -0.608 1.00 0.67 C ATOM 0 H ALA B 12 9.164 1.574 -2.949 1.00 0.58 H new ATOM 0 HA ALA B 12 6.648 0.970 -1.819 1.00 0.62 H new ATOM 0 HB1 ALA B 12 7.579 1.865 0.278 1.00 0.67 H new ATOM 0 HB2 ALA B 12 8.775 0.860 -0.576 1.00 0.67 H new ATOM 0 HB3 ALA B 12 8.901 2.634 -0.632 1.00 0.67 H new ATOM 1184 N ARG B 13 7.348 4.131 -2.298 1.00 0.53 N ATOM 1185 CA ARG B 13 6.755 5.485 -2.373 1.00 0.50 C ATOM 1186 C ARG B 13 5.645 5.455 -3.415 1.00 0.49 C ATOM 1187 O ARG B 13 4.660 6.156 -3.306 1.00 0.51 O ATOM 1188 CB ARG B 13 7.819 6.494 -2.802 1.00 0.51 C ATOM 1189 CG ARG B 13 7.269 7.921 -2.660 1.00 0.61 C ATOM 1190 CD ARG B 13 8.053 8.846 -3.600 1.00 1.07 C ATOM 1191 NE ARG B 13 7.882 8.356 -4.999 1.00 1.86 N ATOM 1192 CZ ARG B 13 6.781 8.672 -5.643 1.00 2.52 C ATOM 1193 NH1 ARG B 13 5.714 7.928 -5.447 1.00 3.15 N ATOM 1194 NH2 ARG B 13 6.798 9.716 -6.444 1.00 3.08 N ATOM 0 H ARG B 13 8.329 4.062 -2.569 1.00 0.53 H new ATOM 0 HA ARG B 13 6.363 5.777 -1.399 1.00 0.50 H new ATOM 0 HB2 ARG B 13 8.713 6.376 -2.190 1.00 0.51 H new ATOM 0 HB3 ARG B 13 8.114 6.309 -3.835 1.00 0.51 H new ATOM 0 HG2 ARG B 13 6.208 7.943 -2.907 1.00 0.61 H new ATOM 0 HG3 ARG B 13 7.364 8.262 -1.629 1.00 0.61 H new ATOM 0 HD2 ARG B 13 7.692 9.871 -3.511 1.00 1.07 H new ATOM 0 HD3 ARG B 13 9.109 8.855 -3.328 1.00 1.07 H new ATOM 0 HE ARG B 13 8.603 7.789 -5.445 1.00 1.86 H new ATOM 0 HH11 ARG B 13 5.757 7.132 -4.810 1.00 3.15 H new ATOM 0 HH12 ARG B 13 4.844 8.147 -5.932 1.00 3.15 H new ATOM 0 HH21 ARG B 13 7.654 10.260 -6.554 1.00 3.08 H new ATOM 0 HH22 ARG B 13 5.956 9.981 -6.955 1.00 3.08 H new ATOM 1208 N PHE B 14 5.821 4.652 -4.419 1.00 0.52 N ATOM 1209 CA PHE B 14 4.778 4.608 -5.474 1.00 0.54 C ATOM 1210 C PHE B 14 3.498 4.017 -4.906 1.00 0.57 C ATOM 1211 O PHE B 14 2.417 4.475 -5.217 1.00 0.59 O ATOM 1212 CB PHE B 14 5.255 3.746 -6.635 1.00 0.62 C ATOM 1213 CG PHE B 14 4.441 4.149 -7.863 1.00 1.17 C ATOM 1214 CD1 PHE B 14 3.202 3.591 -8.114 1.00 1.81 C ATOM 1215 CD2 PHE B 14 4.946 5.092 -8.737 1.00 2.02 C ATOM 1216 CE1 PHE B 14 2.481 3.973 -9.225 1.00 2.50 C ATOM 1217 CE2 PHE B 14 4.223 5.474 -9.847 1.00 2.69 C ATOM 1218 CZ PHE B 14 2.990 4.914 -10.092 1.00 2.71 C ATOM 0 H PHE B 14 6.623 4.036 -4.556 1.00 0.52 H new ATOM 0 HA PHE B 14 4.588 5.622 -5.827 1.00 0.54 H new ATOM 0 HB2 PHE B 14 6.320 3.896 -6.813 1.00 0.62 H new ATOM 0 HB3 PHE B 14 5.115 2.688 -6.411 1.00 0.62 H new ATOM 0 HD1 PHE B 14 2.797 2.853 -7.437 1.00 1.81 H new ATOM 0 HD2 PHE B 14 5.914 5.533 -8.550 1.00 2.02 H new ATOM 0 HE1 PHE B 14 1.514 3.533 -9.416 1.00 2.50 H new ATOM 0 HE2 PHE B 14 4.624 6.213 -10.525 1.00 2.69 H new ATOM 0 HZ PHE B 14 2.423 5.212 -10.962 1.00 2.71 H new ATOM 1228 N ILE B 15 3.641 3.015 -4.085 1.00 0.58 N ATOM 1229 CA ILE B 15 2.417 2.403 -3.509 1.00 0.63 C ATOM 1230 C ILE B 15 1.716 3.516 -2.756 1.00 0.59 C ATOM 1231 O ILE B 15 0.534 3.737 -2.910 1.00 0.62 O ATOM 1232 CB ILE B 15 2.797 1.270 -2.543 1.00 0.69 C ATOM 1233 CG1 ILE B 15 3.714 0.293 -3.302 1.00 0.79 C ATOM 1234 CG2 ILE B 15 1.509 0.540 -2.113 1.00 0.82 C ATOM 1235 CD1 ILE B 15 4.119 -0.877 -2.403 1.00 0.93 C ATOM 0 H ILE B 15 4.528 2.603 -3.795 1.00 0.58 H new ATOM 0 HA ILE B 15 1.779 1.974 -4.282 1.00 0.63 H new ATOM 0 HB ILE B 15 3.307 1.658 -1.661 1.00 0.69 H new ATOM 0 HG12 ILE B 15 3.200 -0.083 -4.187 1.00 0.79 H new ATOM 0 HG13 ILE B 15 4.605 0.817 -3.649 1.00 0.79 H new ATOM 0 HG21 ILE B 15 1.761 -0.268 -1.426 1.00 0.82 H new ATOM 0 HG22 ILE B 15 0.841 1.243 -1.616 1.00 0.82 H new ATOM 0 HG23 ILE B 15 1.013 0.128 -2.992 1.00 0.82 H new ATOM 0 HD11 ILE B 15 4.767 -1.555 -2.958 1.00 0.93 H new ATOM 0 HD12 ILE B 15 4.653 -0.498 -1.531 1.00 0.93 H new ATOM 0 HD13 ILE B 15 3.227 -1.412 -2.078 1.00 0.93 H new ATOM 1247 N ARG B 16 2.490 4.190 -1.955 1.00 0.58 N ATOM 1248 CA ARG B 16 1.925 5.306 -1.157 1.00 0.58 C ATOM 1249 C ARG B 16 1.139 6.235 -2.069 1.00 0.55 C ATOM 1250 O ARG B 16 0.061 6.672 -1.725 1.00 0.56 O ATOM 1251 CB ARG B 16 3.069 6.078 -0.495 1.00 0.60 C ATOM 1252 CG ARG B 16 2.521 7.302 0.234 1.00 0.82 C ATOM 1253 CD ARG B 16 3.709 8.176 0.644 1.00 1.04 C ATOM 1254 NE ARG B 16 4.609 7.381 1.515 1.00 1.57 N ATOM 1255 CZ ARG B 16 4.802 7.829 2.731 1.00 2.08 C ATOM 1256 NH1 ARG B 16 3.827 7.661 3.597 1.00 2.60 N ATOM 1257 NH2 ARG B 16 5.943 8.418 3.008 1.00 2.68 N ATOM 0 H ARG B 16 3.486 4.016 -1.820 1.00 0.58 H new ATOM 0 HA ARG B 16 1.260 4.911 -0.390 1.00 0.58 H new ATOM 0 HB2 ARG B 16 3.596 5.432 0.207 1.00 0.60 H new ATOM 0 HB3 ARG B 16 3.793 6.387 -1.248 1.00 0.60 H new ATOM 0 HG2 ARG B 16 1.843 7.859 -0.412 1.00 0.82 H new ATOM 0 HG3 ARG B 16 1.949 6.999 1.111 1.00 0.82 H new ATOM 0 HD2 ARG B 16 4.246 8.521 -0.239 1.00 1.04 H new ATOM 0 HD3 ARG B 16 3.360 9.064 1.172 1.00 1.04 H new ATOM 0 HE ARG B 16 5.056 6.526 1.183 1.00 1.57 H new ATOM 0 HH11 ARG B 16 2.965 7.198 3.311 1.00 2.60 H new ATOM 0 HH12 ARG B 16 3.933 7.994 4.555 1.00 2.60 H new ATOM 0 HH21 ARG B 16 6.654 8.518 2.284 1.00 2.68 H new ATOM 0 HH22 ARG B 16 6.118 8.775 3.947 1.00 2.68 H new ATOM 1271 N SER B 17 1.695 6.511 -3.213 1.00 0.57 N ATOM 1272 CA SER B 17 0.988 7.431 -4.132 1.00 0.60 C ATOM 1273 C SER B 17 -0.403 6.888 -4.435 1.00 0.56 C ATOM 1274 O SER B 17 -1.389 7.588 -4.305 1.00 0.55 O ATOM 1275 CB SER B 17 1.796 7.554 -5.418 1.00 0.68 C ATOM 1276 OG SER B 17 3.125 7.779 -4.959 1.00 0.72 O ATOM 0 H SER B 17 2.589 6.147 -3.544 1.00 0.57 H new ATOM 0 HA SER B 17 0.884 8.413 -3.670 1.00 0.60 H new ATOM 0 HB2 SER B 17 1.728 6.649 -6.022 1.00 0.68 H new ATOM 0 HB3 SER B 17 1.441 8.378 -6.037 1.00 0.68 H new ATOM 0 HG SER B 17 3.322 8.739 -4.985 1.00 0.72 H new ATOM 1282 N GLN B 18 -0.456 5.648 -4.827 1.00 0.57 N ATOM 1283 CA GLN B 18 -1.786 5.090 -5.150 1.00 0.57 C ATOM 1284 C GLN B 18 -2.680 5.104 -3.926 1.00 0.51 C ATOM 1285 O GLN B 18 -3.867 5.315 -4.047 1.00 0.51 O ATOM 1286 CB GLN B 18 -1.635 3.659 -5.654 1.00 0.65 C ATOM 1287 CG GLN B 18 -0.853 3.694 -6.970 1.00 0.91 C ATOM 1288 CD GLN B 18 -0.787 2.281 -7.551 1.00 1.11 C ATOM 1289 OE1 GLN B 18 -1.675 1.394 -7.199 1.00 1.80 O flip ATOM 1290 NE2 GLN B 18 0.083 1.966 -8.338 1.00 1.05 N flip ATOM 0 H GLN B 18 0.338 5.017 -4.934 1.00 0.57 H new ATOM 0 HA GLN B 18 -2.242 5.705 -5.926 1.00 0.57 H new ATOM 0 HB2 GLN B 18 -1.111 3.050 -4.917 1.00 0.65 H new ATOM 0 HB3 GLN B 18 -2.614 3.204 -5.806 1.00 0.65 H new ATOM 0 HG2 GLN B 18 -1.336 4.369 -7.677 1.00 0.91 H new ATOM 0 HG3 GLN B 18 0.153 4.078 -6.800 1.00 0.91 H new ATOM 0 HE21 GLN B 18 0.785 2.649 -8.623 1.00 1.05 H new ATOM 0 HE22 GLN B 18 0.112 1.018 -8.714 1.00 1.05 H new ATOM 1299 N THR B 19 -2.109 4.884 -2.779 1.00 0.48 N ATOM 1300 CA THR B 19 -2.950 4.887 -1.565 1.00 0.44 C ATOM 1301 C THR B 19 -3.694 6.221 -1.515 1.00 0.43 C ATOM 1302 O THR B 19 -4.891 6.262 -1.313 1.00 0.46 O ATOM 1303 CB THR B 19 -2.025 4.712 -0.372 1.00 0.46 C ATOM 1304 OG1 THR B 19 -1.191 3.633 -0.780 1.00 0.56 O ATOM 1305 CG2 THR B 19 -2.800 4.156 0.823 1.00 0.48 C ATOM 0 H THR B 19 -1.115 4.706 -2.634 1.00 0.48 H new ATOM 0 HA THR B 19 -3.686 4.083 -1.560 1.00 0.44 H new ATOM 0 HB THR B 19 -1.533 5.647 -0.103 1.00 0.46 H new ATOM 0 HG1 THR B 19 -0.543 3.434 -0.072 1.00 0.56 H new ATOM 0 HG21 THR B 19 -2.125 4.036 1.670 1.00 0.48 H new ATOM 0 HG22 THR B 19 -3.600 4.846 1.091 1.00 0.48 H new ATOM 0 HG23 THR B 19 -3.229 3.189 0.561 1.00 0.48 H new ATOM 1313 N LEU B 20 -2.964 7.278 -1.716 1.00 0.45 N ATOM 1314 CA LEU B 20 -3.622 8.604 -1.667 1.00 0.51 C ATOM 1315 C LEU B 20 -4.662 8.654 -2.778 1.00 0.53 C ATOM 1316 O LEU B 20 -5.721 9.229 -2.627 1.00 0.57 O ATOM 1317 CB LEU B 20 -2.574 9.698 -1.885 1.00 0.57 C ATOM 1318 CG LEU B 20 -3.204 11.101 -1.728 1.00 0.69 C ATOM 1319 CD1 LEU B 20 -3.660 11.317 -0.270 1.00 1.31 C ATOM 1320 CD2 LEU B 20 -2.151 12.161 -2.087 1.00 1.25 C ATOM 0 H LEU B 20 -1.962 7.282 -1.908 1.00 0.45 H new ATOM 0 HA LEU B 20 -4.099 8.762 -0.700 1.00 0.51 H new ATOM 0 HB2 LEU B 20 -1.761 9.577 -1.169 1.00 0.57 H new ATOM 0 HB3 LEU B 20 -2.140 9.599 -2.880 1.00 0.57 H new ATOM 0 HG LEU B 20 -4.067 11.185 -2.388 1.00 0.69 H new ATOM 0 HD11 LEU B 20 -4.102 12.308 -0.170 1.00 1.31 H new ATOM 0 HD12 LEU B 20 -4.399 10.561 -0.004 1.00 1.31 H new ATOM 0 HD13 LEU B 20 -2.801 11.234 0.396 1.00 1.31 H new ATOM 0 HD21 LEU B 20 -2.584 13.155 -1.980 1.00 1.25 H new ATOM 0 HD22 LEU B 20 -1.295 12.064 -1.419 1.00 1.25 H new ATOM 0 HD23 LEU B 20 -1.826 12.016 -3.117 1.00 1.25 H new ATOM 1332 N THR B 21 -4.343 8.044 -3.881 1.00 0.59 N ATOM 1333 CA THR B 21 -5.311 8.071 -5.000 1.00 0.70 C ATOM 1334 C THR B 21 -6.595 7.363 -4.553 1.00 0.63 C ATOM 1335 O THR B 21 -7.671 7.645 -5.049 1.00 0.69 O ATOM 1336 CB THR B 21 -4.659 7.365 -6.187 1.00 0.85 C ATOM 1337 OG1 THR B 21 -3.359 7.935 -6.282 1.00 0.87 O ATOM 1338 CG2 THR B 21 -5.347 7.753 -7.501 1.00 1.02 C ATOM 0 H THR B 21 -3.473 7.539 -4.053 1.00 0.59 H new ATOM 0 HA THR B 21 -5.574 9.088 -5.292 1.00 0.70 H new ATOM 0 HB THR B 21 -4.696 6.285 -6.045 1.00 0.85 H new ATOM 0 HG1 THR B 21 -2.876 7.525 -7.029 1.00 0.87 H new ATOM 0 HG21 THR B 21 -4.864 7.237 -8.331 1.00 1.02 H new ATOM 0 HG22 THR B 21 -6.398 7.468 -7.459 1.00 1.02 H new ATOM 0 HG23 THR B 21 -5.268 8.830 -7.649 1.00 1.02 H new ATOM 1346 N LEU B 22 -6.455 6.451 -3.632 1.00 0.54 N ATOM 1347 CA LEU B 22 -7.666 5.745 -3.153 1.00 0.52 C ATOM 1348 C LEU B 22 -8.259 6.494 -1.979 1.00 0.45 C ATOM 1349 O LEU B 22 -9.426 6.324 -1.700 1.00 0.49 O ATOM 1350 CB LEU B 22 -7.330 4.317 -2.708 1.00 0.59 C ATOM 1351 CG LEU B 22 -7.357 3.369 -3.935 1.00 0.89 C ATOM 1352 CD1 LEU B 22 -6.186 3.636 -4.893 1.00 1.71 C ATOM 1353 CD2 LEU B 22 -7.293 1.916 -3.451 1.00 1.25 C ATOM 0 H LEU B 22 -5.574 6.171 -3.201 1.00 0.54 H new ATOM 0 HA LEU B 22 -8.380 5.701 -3.975 1.00 0.52 H new ATOM 0 HB2 LEU B 22 -6.346 4.293 -2.239 1.00 0.59 H new ATOM 0 HB3 LEU B 22 -8.048 3.980 -1.960 1.00 0.59 H new ATOM 0 HG LEU B 22 -8.283 3.553 -4.480 1.00 0.89 H new ATOM 0 HD11 LEU B 22 -6.244 2.950 -5.738 1.00 1.71 H new ATOM 0 HD12 LEU B 22 -6.239 4.663 -5.255 1.00 1.71 H new ATOM 0 HD13 LEU B 22 -5.244 3.485 -4.367 1.00 1.71 H new ATOM 0 HD21 LEU B 22 -7.312 1.245 -4.310 1.00 1.25 H new ATOM 0 HD22 LEU B 22 -6.372 1.760 -2.889 1.00 1.25 H new ATOM 0 HD23 LEU B 22 -8.149 1.708 -2.810 1.00 1.25 H new ATOM 1365 N LEU B 23 -7.474 7.294 -1.310 1.00 0.43 N ATOM 1366 CA LEU B 23 -8.052 8.059 -0.167 1.00 0.44 C ATOM 1367 C LEU B 23 -9.218 8.808 -0.746 1.00 0.48 C ATOM 1368 O LEU B 23 -10.314 8.809 -0.227 1.00 0.52 O ATOM 1369 CB LEU B 23 -7.061 9.086 0.385 1.00 0.53 C ATOM 1370 CG LEU B 23 -7.802 10.155 1.245 1.00 0.73 C ATOM 1371 CD1 LEU B 23 -8.392 9.525 2.512 1.00 1.08 C ATOM 1372 CD2 LEU B 23 -6.817 11.277 1.611 1.00 1.05 C ATOM 0 H LEU B 23 -6.483 7.450 -1.497 1.00 0.43 H new ATOM 0 HA LEU B 23 -8.318 7.384 0.646 1.00 0.44 H new ATOM 0 HB2 LEU B 23 -6.307 8.583 0.990 1.00 0.53 H new ATOM 0 HB3 LEU B 23 -6.537 9.573 -0.438 1.00 0.53 H new ATOM 0 HG LEU B 23 -8.627 10.569 0.666 1.00 0.73 H new ATOM 0 HD11 LEU B 23 -8.904 10.291 3.095 1.00 1.08 H new ATOM 0 HD12 LEU B 23 -9.102 8.746 2.234 1.00 1.08 H new ATOM 0 HD13 LEU B 23 -7.591 9.090 3.109 1.00 1.08 H new ATOM 0 HD21 LEU B 23 -7.329 12.028 2.213 1.00 1.05 H new ATOM 0 HD22 LEU B 23 -5.986 10.860 2.180 1.00 1.05 H new ATOM 0 HD23 LEU B 23 -6.437 11.739 0.700 1.00 1.05 H new ATOM 1384 N GLU B 24 -8.879 9.422 -1.837 1.00 0.57 N ATOM 1385 CA GLU B 24 -9.828 10.248 -2.601 1.00 0.71 C ATOM 1386 C GLU B 24 -11.134 9.495 -2.767 1.00 0.67 C ATOM 1387 O GLU B 24 -12.136 9.742 -2.131 1.00 0.69 O ATOM 1388 CB GLU B 24 -9.167 10.533 -3.952 1.00 0.90 C ATOM 1389 CG GLU B 24 -10.078 11.256 -4.929 1.00 1.37 C ATOM 1390 CD GLU B 24 -9.575 10.859 -6.307 1.00 1.52 C ATOM 1391 OE1 GLU B 24 -8.366 10.786 -6.451 1.00 1.84 O ATOM 1392 OE2 GLU B 24 -10.418 10.630 -7.156 1.00 1.83 O ATOM 0 H GLU B 24 -7.944 9.380 -2.242 1.00 0.57 H new ATOM 0 HA GLU B 24 -10.059 11.184 -2.093 1.00 0.71 H new ATOM 0 HB2 GLU B 24 -8.271 11.132 -3.790 1.00 0.90 H new ATOM 0 HB3 GLU B 24 -8.845 9.591 -4.396 1.00 0.90 H new ATOM 0 HG2 GLU B 24 -11.118 10.962 -4.789 1.00 1.37 H new ATOM 0 HG3 GLU B 24 -10.030 12.336 -4.788 1.00 1.37 H new ATOM 1399 N LYS B 25 -11.029 8.559 -3.652 1.00 0.67 N ATOM 1400 CA LYS B 25 -12.196 7.739 -4.033 1.00 0.72 C ATOM 1401 C LYS B 25 -12.856 7.056 -2.848 1.00 0.68 C ATOM 1402 O LYS B 25 -14.020 7.276 -2.594 1.00 0.75 O ATOM 1403 CB LYS B 25 -11.701 6.729 -5.067 1.00 0.81 C ATOM 1404 CG LYS B 25 -11.046 7.553 -6.213 1.00 0.95 C ATOM 1405 CD LYS B 25 -10.380 6.633 -7.234 1.00 1.36 C ATOM 1406 CE LYS B 25 -9.745 7.528 -8.325 1.00 1.57 C ATOM 1407 NZ LYS B 25 -8.736 8.461 -7.751 1.00 1.86 N ATOM 0 H LYS B 25 -10.164 8.322 -4.138 1.00 0.67 H new ATOM 0 HA LYS B 25 -12.977 8.377 -4.448 1.00 0.72 H new ATOM 0 HB2 LYS B 25 -10.981 6.041 -4.623 1.00 0.81 H new ATOM 0 HB3 LYS B 25 -12.526 6.126 -5.446 1.00 0.81 H new ATOM 0 HG2 LYS B 25 -11.803 8.163 -6.706 1.00 0.95 H new ATOM 0 HG3 LYS B 25 -10.306 8.237 -5.797 1.00 0.95 H new ATOM 0 HD2 LYS B 25 -9.620 6.016 -6.755 1.00 1.36 H new ATOM 0 HD3 LYS B 25 -11.112 5.955 -7.673 1.00 1.36 H new ATOM 0 HE2 LYS B 25 -9.273 6.901 -9.081 1.00 1.57 H new ATOM 0 HE3 LYS B 25 -10.526 8.100 -8.827 1.00 1.57 H new ATOM 0 HZ1 LYS B 25 -9.102 9.434 -7.789 1.00 1.86 H new ATOM 0 HZ2 LYS B 25 -8.546 8.201 -6.762 1.00 1.86 H new ATOM 0 HZ3 LYS B 25 -7.855 8.400 -8.300 1.00 1.86 H new ATOM 1421 N LEU B 26 -12.117 6.248 -2.146 1.00 0.65 N ATOM 1422 CA LEU B 26 -12.723 5.539 -0.980 1.00 0.67 C ATOM 1423 C LEU B 26 -13.438 6.509 -0.056 1.00 0.65 C ATOM 1424 O LEU B 26 -14.411 6.151 0.576 1.00 0.73 O ATOM 1425 CB LEU B 26 -11.653 4.824 -0.148 1.00 0.68 C ATOM 1426 CG LEU B 26 -10.945 3.716 -0.962 1.00 0.80 C ATOM 1427 CD1 LEU B 26 -9.808 3.146 -0.099 1.00 1.21 C ATOM 1428 CD2 LEU B 26 -11.927 2.571 -1.276 1.00 1.22 C ATOM 0 H LEU B 26 -11.133 6.047 -2.322 1.00 0.65 H new ATOM 0 HA LEU B 26 -13.429 4.818 -1.393 1.00 0.67 H new ATOM 0 HB2 LEU B 26 -10.916 5.549 0.199 1.00 0.68 H new ATOM 0 HB3 LEU B 26 -12.112 4.388 0.739 1.00 0.68 H new ATOM 0 HG LEU B 26 -10.570 4.136 -1.895 1.00 0.80 H new ATOM 0 HD11 LEU B 26 -9.291 2.361 -0.651 1.00 1.21 H new ATOM 0 HD12 LEU B 26 -9.104 3.941 0.146 1.00 1.21 H new ATOM 0 HD13 LEU B 26 -10.222 2.731 0.820 1.00 1.21 H new ATOM 0 HD21 LEU B 26 -11.414 1.799 -1.849 1.00 1.22 H new ATOM 0 HD22 LEU B 26 -12.299 2.145 -0.344 1.00 1.22 H new ATOM 0 HD23 LEU B 26 -12.764 2.959 -1.857 1.00 1.22 H new ATOM 1440 N ASN B 27 -12.955 7.713 0.011 1.00 0.60 N ATOM 1441 CA ASN B 27 -13.624 8.676 0.921 1.00 0.66 C ATOM 1442 C ASN B 27 -14.938 9.128 0.321 1.00 0.68 C ATOM 1443 O ASN B 27 -15.980 8.981 0.928 1.00 0.79 O ATOM 1444 CB ASN B 27 -12.753 9.895 1.134 1.00 0.76 C ATOM 1445 CG ASN B 27 -13.450 10.774 2.166 1.00 1.02 C ATOM 1446 OD1 ASN B 27 -13.856 10.305 3.212 1.00 1.70 O ATOM 1447 ND2 ASN B 27 -13.607 12.043 1.917 1.00 1.70 N ATOM 0 H ASN B 27 -12.150 8.066 -0.507 1.00 0.60 H new ATOM 0 HA ASN B 27 -13.798 8.176 1.874 1.00 0.66 H new ATOM 0 HB2 ASN B 27 -11.763 9.604 1.483 1.00 0.76 H new ATOM 0 HB3 ASN B 27 -12.614 10.437 0.198 1.00 0.76 H new ATOM 0 HD21 ASN B 27 -14.070 12.643 2.599 1.00 1.70 H new ATOM 0 HD22 ASN B 27 -13.267 12.437 1.040 1.00 1.70 H new ATOM 1454 N GLU B 28 -14.858 9.665 -0.866 1.00 0.70 N ATOM 1455 CA GLU B 28 -16.098 10.150 -1.528 1.00 0.83 C ATOM 1456 C GLU B 28 -17.057 8.990 -1.760 1.00 0.86 C ATOM 1457 O GLU B 28 -18.216 9.189 -2.064 1.00 0.97 O ATOM 1458 CB GLU B 28 -15.750 10.791 -2.871 1.00 1.00 C ATOM 1459 CG GLU B 28 -14.640 11.833 -2.682 1.00 1.12 C ATOM 1460 CD GLU B 28 -15.064 12.814 -1.599 1.00 1.86 C ATOM 1461 OE1 GLU B 28 -16.130 13.378 -1.769 1.00 2.24 O ATOM 1462 OE2 GLU B 28 -14.292 12.934 -0.663 1.00 2.61 O ATOM 0 H GLU B 28 -13.997 9.787 -1.399 1.00 0.70 H new ATOM 0 HA GLU B 28 -16.574 10.887 -0.882 1.00 0.83 H new ATOM 0 HB2 GLU B 28 -15.425 10.025 -3.576 1.00 1.00 H new ATOM 0 HB3 GLU B 28 -16.635 11.263 -3.298 1.00 1.00 H new ATOM 0 HG2 GLU B 28 -13.707 11.343 -2.403 1.00 1.12 H new ATOM 0 HG3 GLU B 28 -14.455 12.361 -3.618 1.00 1.12 H new ATOM 1469 N LEU B 29 -16.565 7.793 -1.616 1.00 0.84 N ATOM 1470 CA LEU B 29 -17.448 6.611 -1.809 1.00 0.98 C ATOM 1471 C LEU B 29 -18.214 6.362 -0.518 1.00 1.03 C ATOM 1472 O LEU B 29 -18.700 5.269 -0.295 1.00 1.19 O ATOM 1473 CB LEU B 29 -16.589 5.388 -2.159 1.00 1.02 C ATOM 1474 CG LEU B 29 -16.666 5.084 -3.677 1.00 1.07 C ATOM 1475 CD1 LEU B 29 -16.344 6.323 -4.541 1.00 1.79 C ATOM 1476 CD2 LEU B 29 -15.622 4.002 -3.993 1.00 1.43 C ATOM 0 H LEU B 29 -15.597 7.582 -1.375 1.00 0.84 H new ATOM 0 HA LEU B 29 -18.152 6.791 -2.622 1.00 0.98 H new ATOM 0 HB2 LEU B 29 -15.554 5.570 -1.871 1.00 1.02 H new ATOM 0 HB3 LEU B 29 -16.931 4.522 -1.591 1.00 1.02 H new ATOM 0 HG LEU B 29 -17.682 4.765 -3.909 1.00 1.07 H new ATOM 0 HD11 LEU B 29 -16.411 6.058 -5.596 1.00 1.79 H new ATOM 0 HD12 LEU B 29 -17.058 7.116 -4.320 1.00 1.79 H new ATOM 0 HD13 LEU B 29 -15.335 6.670 -4.318 1.00 1.79 H new ATOM 0 HD21 LEU B 29 -15.653 3.766 -5.057 1.00 1.43 H new ATOM 0 HD22 LEU B 29 -14.629 4.367 -3.731 1.00 1.43 H new ATOM 0 HD23 LEU B 29 -15.843 3.104 -3.416 1.00 1.43 H new ATOM 1488 N ASP B 30 -18.295 7.387 0.289 1.00 0.98 N ATOM 1489 CA ASP B 30 -19.022 7.308 1.581 1.00 1.11 C ATOM 1490 C ASP B 30 -18.465 6.166 2.389 1.00 1.16 C ATOM 1491 O ASP B 30 -19.051 5.108 2.505 1.00 1.63 O ATOM 1492 CB ASP B 30 -20.516 7.077 1.353 1.00 1.35 C ATOM 1493 CG ASP B 30 -21.162 6.892 2.720 1.00 1.82 C ATOM 1494 OD1 ASP B 30 -20.840 7.689 3.583 1.00 2.45 O ATOM 1495 OD2 ASP B 30 -21.940 5.960 2.816 1.00 2.23 O ATOM 0 H ASP B 30 -17.875 8.297 0.097 1.00 0.98 H new ATOM 0 HA ASP B 30 -18.893 8.251 2.113 1.00 1.11 H new ATOM 0 HB2 ASP B 30 -20.960 7.924 0.830 1.00 1.35 H new ATOM 0 HB3 ASP B 30 -20.678 6.197 0.730 1.00 1.35 H new ATOM 1500 N ALA B 31 -17.310 6.436 2.920 1.00 0.84 N ATOM 1501 CA ALA B 31 -16.615 5.433 3.765 1.00 0.87 C ATOM 1502 C ALA B 31 -15.414 6.124 4.364 1.00 0.76 C ATOM 1503 O ALA B 31 -14.290 5.848 3.992 1.00 0.75 O ATOM 1504 CB ALA B 31 -16.127 4.267 2.938 1.00 0.89 C ATOM 0 H ALA B 31 -16.812 7.319 2.803 1.00 0.84 H new ATOM 0 HA ALA B 31 -17.300 5.052 4.523 1.00 0.87 H new ATOM 0 HB1 ALA B 31 -15.622 3.549 3.584 1.00 0.89 H new ATOM 0 HB2 ALA B 31 -16.976 3.785 2.453 1.00 0.89 H new ATOM 0 HB3 ALA B 31 -15.431 4.625 2.180 1.00 0.89 H new ATOM 1510 N ASP B 32 -15.689 7.008 5.276 1.00 0.85 N ATOM 1511 CA ASP B 32 -14.583 7.752 5.936 1.00 0.87 C ATOM 1512 C ASP B 32 -13.679 6.732 6.589 1.00 0.79 C ATOM 1513 O ASP B 32 -12.496 6.958 6.719 1.00 0.74 O ATOM 1514 CB ASP B 32 -15.098 8.668 7.031 1.00 1.11 C ATOM 1515 CG ASP B 32 -15.678 7.787 8.128 1.00 2.05 C ATOM 1516 OD1 ASP B 32 -16.627 7.098 7.799 1.00 2.83 O ATOM 1517 OD2 ASP B 32 -15.146 7.847 9.221 1.00 2.57 O ATOM 0 H ASP B 32 -16.628 7.248 5.593 1.00 0.85 H new ATOM 0 HA ASP B 32 -14.071 8.356 5.186 1.00 0.87 H new ATOM 0 HB2 ASP B 32 -14.292 9.288 7.423 1.00 1.11 H new ATOM 0 HB3 ASP B 32 -15.858 9.344 6.640 1.00 1.11 H new ATOM 1522 N GLU B 33 -14.258 5.636 6.989 1.00 0.86 N ATOM 1523 CA GLU B 33 -13.435 4.581 7.627 1.00 0.90 C ATOM 1524 C GLU B 33 -12.386 4.205 6.599 1.00 0.78 C ATOM 1525 O GLU B 33 -11.201 4.378 6.796 1.00 0.79 O ATOM 1526 CB GLU B 33 -14.347 3.372 7.971 1.00 1.07 C ATOM 1527 CG GLU B 33 -13.646 2.349 8.889 1.00 1.58 C ATOM 1528 CD GLU B 33 -12.838 1.289 8.132 1.00 1.74 C ATOM 1529 OE1 GLU B 33 -12.635 1.436 6.942 1.00 2.15 O ATOM 1530 OE2 GLU B 33 -12.455 0.350 8.802 1.00 2.11 O ATOM 0 H GLU B 33 -15.253 5.429 6.902 1.00 0.86 H new ATOM 0 HA GLU B 33 -12.964 4.910 8.554 1.00 0.90 H new ATOM 0 HB2 GLU B 33 -15.254 3.731 8.458 1.00 1.07 H new ATOM 0 HB3 GLU B 33 -14.654 2.878 7.049 1.00 1.07 H new ATOM 0 HG2 GLU B 33 -12.981 2.881 9.569 1.00 1.58 H new ATOM 0 HG3 GLU B 33 -14.397 1.851 9.502 1.00 1.58 H new ATOM 1537 N GLN B 34 -12.866 3.700 5.500 1.00 0.71 N ATOM 1538 CA GLN B 34 -11.935 3.261 4.434 1.00 0.67 C ATOM 1539 C GLN B 34 -11.018 4.399 4.041 1.00 0.57 C ATOM 1540 O GLN B 34 -9.943 4.164 3.533 1.00 0.53 O ATOM 1541 CB GLN B 34 -12.746 2.800 3.223 1.00 0.72 C ATOM 1542 CG GLN B 34 -13.680 1.638 3.615 1.00 0.88 C ATOM 1543 CD GLN B 34 -12.908 0.313 3.617 1.00 1.49 C ATOM 1544 OE1 GLN B 34 -11.973 0.093 4.498 1.00 2.26 O flip ATOM 1545 NE2 GLN B 34 -13.160 -0.549 2.798 1.00 1.80 N flip ATOM 0 H GLN B 34 -13.857 3.574 5.296 1.00 0.71 H new ATOM 0 HA GLN B 34 -11.324 2.436 4.801 1.00 0.67 H new ATOM 0 HB2 GLN B 34 -13.333 3.631 2.832 1.00 0.72 H new ATOM 0 HB3 GLN B 34 -12.074 2.482 2.426 1.00 0.72 H new ATOM 0 HG2 GLN B 34 -14.105 1.821 4.602 1.00 0.88 H new ATOM 0 HG3 GLN B 34 -14.513 1.580 2.915 1.00 0.88 H new ATOM 0 HE21 GLN B 34 -13.889 -0.393 2.101 1.00 1.80 H new ATOM 0 HE22 GLN B 34 -12.643 -1.428 2.807 1.00 1.80 H new ATOM 1554 N ALA B 35 -11.445 5.604 4.278 1.00 0.58 N ATOM 1555 CA ALA B 35 -10.562 6.730 3.901 1.00 0.56 C ATOM 1556 C ALA B 35 -9.403 6.778 4.872 1.00 0.56 C ATOM 1557 O ALA B 35 -8.271 6.918 4.461 1.00 0.54 O ATOM 1558 CB ALA B 35 -11.323 8.055 3.974 1.00 0.65 C ATOM 0 H ALA B 35 -12.339 5.852 4.703 1.00 0.58 H new ATOM 0 HA ALA B 35 -10.208 6.582 2.881 1.00 0.56 H new ATOM 0 HB1 ALA B 35 -10.658 8.872 3.694 1.00 0.65 H new ATOM 0 HB2 ALA B 35 -12.171 8.026 3.290 1.00 0.65 H new ATOM 0 HB3 ALA B 35 -11.683 8.212 4.991 1.00 0.65 H new ATOM 1564 N ASP B 36 -9.704 6.660 6.132 1.00 0.62 N ATOM 1565 CA ASP B 36 -8.595 6.712 7.122 1.00 0.67 C ATOM 1566 C ASP B 36 -7.714 5.523 6.916 1.00 0.60 C ATOM 1567 O ASP B 36 -6.566 5.678 6.565 1.00 0.62 O ATOM 1568 CB ASP B 36 -9.078 6.633 8.559 1.00 0.79 C ATOM 1569 CG ASP B 36 -7.814 6.526 9.420 1.00 1.21 C ATOM 1570 OD1 ASP B 36 -7.203 7.567 9.594 1.00 1.65 O ATOM 1571 OD2 ASP B 36 -7.522 5.424 9.856 1.00 1.67 O ATOM 0 H ASP B 36 -10.642 6.533 6.513 1.00 0.62 H new ATOM 0 HA ASP B 36 -8.085 7.663 6.968 1.00 0.67 H new ATOM 0 HB2 ASP B 36 -9.659 7.516 8.825 1.00 0.79 H new ATOM 0 HB3 ASP B 36 -9.726 5.769 8.707 1.00 0.79 H new ATOM 1576 N ILE B 37 -8.294 4.376 7.136 1.00 0.55 N ATOM 1577 CA ILE B 37 -7.533 3.113 6.991 1.00 0.52 C ATOM 1578 C ILE B 37 -6.701 3.154 5.713 1.00 0.47 C ATOM 1579 O ILE B 37 -5.588 2.663 5.683 1.00 0.50 O ATOM 1580 CB ILE B 37 -8.498 1.920 6.935 1.00 0.53 C ATOM 1581 CG1 ILE B 37 -9.508 1.948 8.111 1.00 0.68 C ATOM 1582 CG2 ILE B 37 -7.659 0.647 7.059 1.00 0.57 C ATOM 1583 CD1 ILE B 37 -8.812 1.987 9.478 1.00 1.12 C ATOM 0 H ILE B 37 -9.270 4.263 7.412 1.00 0.55 H new ATOM 0 HA ILE B 37 -6.872 3.000 7.851 1.00 0.52 H new ATOM 0 HB ILE B 37 -9.058 1.960 6.001 1.00 0.53 H new ATOM 0 HG12 ILE B 37 -10.155 2.820 8.010 1.00 0.68 H new ATOM 0 HG13 ILE B 37 -10.149 1.068 8.057 1.00 0.68 H new ATOM 0 HG21 ILE B 37 -8.313 -0.225 7.023 1.00 0.57 H new ATOM 0 HG22 ILE B 37 -6.946 0.600 6.236 1.00 0.57 H new ATOM 0 HG23 ILE B 37 -7.120 0.657 8.006 1.00 0.57 H new ATOM 0 HD11 ILE B 37 -9.563 2.006 10.268 1.00 1.12 H new ATOM 0 HD12 ILE B 37 -8.186 1.102 9.593 1.00 1.12 H new ATOM 0 HD13 ILE B 37 -8.192 2.881 9.545 1.00 1.12 H new ATOM 1595 N CYS B 38 -7.251 3.732 4.680 1.00 0.45 N ATOM 1596 CA CYS B 38 -6.454 3.787 3.431 1.00 0.47 C ATOM 1597 C CYS B 38 -5.202 4.560 3.735 1.00 0.50 C ATOM 1598 O CYS B 38 -4.108 4.094 3.493 1.00 0.57 O ATOM 1599 CB CYS B 38 -7.223 4.506 2.324 1.00 0.48 C ATOM 1600 SG CYS B 38 -6.363 4.783 0.755 1.00 0.70 S ATOM 0 H CYS B 38 -8.180 4.152 4.647 1.00 0.45 H new ATOM 0 HA CYS B 38 -6.233 2.776 3.090 1.00 0.47 H new ATOM 0 HB2 CYS B 38 -8.127 3.934 2.116 1.00 0.48 H new ATOM 0 HB3 CYS B 38 -7.541 5.475 2.709 1.00 0.48 H new ATOM 0 HG CYS B 38 -5.530 5.772 0.886 1.00 0.70 H new ATOM 1606 N GLU B 39 -5.365 5.723 4.273 1.00 0.54 N ATOM 1607 CA GLU B 39 -4.137 6.481 4.548 1.00 0.62 C ATOM 1608 C GLU B 39 -3.402 5.955 5.766 1.00 0.58 C ATOM 1609 O GLU B 39 -2.331 6.430 6.074 1.00 0.57 O ATOM 1610 CB GLU B 39 -4.519 7.933 4.717 1.00 0.75 C ATOM 1611 CG GLU B 39 -5.107 8.391 3.375 1.00 1.35 C ATOM 1612 CD GLU B 39 -4.048 8.292 2.268 1.00 2.07 C ATOM 1613 OE1 GLU B 39 -3.232 9.192 2.227 1.00 2.39 O ATOM 1614 OE2 GLU B 39 -4.104 7.328 1.522 1.00 2.82 O ATOM 0 H GLU B 39 -6.250 6.164 4.524 1.00 0.54 H new ATOM 0 HA GLU B 39 -3.444 6.368 3.714 1.00 0.62 H new ATOM 0 HB2 GLU B 39 -5.247 8.051 5.520 1.00 0.75 H new ATOM 0 HB3 GLU B 39 -3.650 8.534 4.984 1.00 0.75 H new ATOM 0 HG2 GLU B 39 -5.969 7.775 3.119 1.00 1.35 H new ATOM 0 HG3 GLU B 39 -5.462 9.418 3.457 1.00 1.35 H new ATOM 1621 N SER B 40 -3.946 5.004 6.462 1.00 0.63 N ATOM 1622 CA SER B 40 -3.157 4.496 7.603 1.00 0.64 C ATOM 1623 C SER B 40 -2.100 3.672 6.876 1.00 0.58 C ATOM 1624 O SER B 40 -0.965 3.559 7.293 1.00 0.63 O ATOM 1625 CB SER B 40 -4.049 3.636 8.461 1.00 0.72 C ATOM 1626 OG SER B 40 -5.245 4.396 8.415 1.00 0.77 O ATOM 0 H SER B 40 -4.857 4.575 6.302 1.00 0.63 H new ATOM 0 HA SER B 40 -2.733 5.248 8.269 1.00 0.64 H new ATOM 0 HB2 SER B 40 -4.177 2.633 8.054 1.00 0.72 H new ATOM 0 HB3 SER B 40 -3.667 3.522 9.475 1.00 0.72 H new ATOM 0 HG SER B 40 -5.642 4.436 9.310 1.00 0.77 H new ATOM 1632 N LEU B 41 -2.525 3.110 5.775 1.00 0.54 N ATOM 1633 CA LEU B 41 -1.574 2.300 4.973 1.00 0.53 C ATOM 1634 C LEU B 41 -0.557 3.293 4.440 1.00 0.50 C ATOM 1635 O LEU B 41 0.635 3.063 4.481 1.00 0.55 O ATOM 1636 CB LEU B 41 -2.297 1.639 3.795 1.00 0.56 C ATOM 1637 CG LEU B 41 -1.330 0.771 2.979 1.00 0.63 C ATOM 1638 CD1 LEU B 41 -1.029 -0.519 3.738 1.00 1.05 C ATOM 1639 CD2 LEU B 41 -1.968 0.447 1.621 1.00 1.22 C ATOM 0 H LEU B 41 -3.473 3.177 5.405 1.00 0.54 H new ATOM 0 HA LEU B 41 -1.119 1.509 5.569 1.00 0.53 H new ATOM 0 HB2 LEU B 41 -3.119 1.026 4.165 1.00 0.56 H new ATOM 0 HB3 LEU B 41 -2.734 2.405 3.154 1.00 0.56 H new ATOM 0 HG LEU B 41 -0.396 1.310 2.820 1.00 0.63 H new ATOM 0 HD11 LEU B 41 -0.342 -1.132 3.155 1.00 1.05 H new ATOM 0 HD12 LEU B 41 -0.574 -0.278 4.699 1.00 1.05 H new ATOM 0 HD13 LEU B 41 -1.956 -1.069 3.903 1.00 1.05 H new ATOM 0 HD21 LEU B 41 -1.286 -0.170 1.036 1.00 1.22 H new ATOM 0 HD22 LEU B 41 -2.902 -0.093 1.777 1.00 1.22 H new ATOM 0 HD23 LEU B 41 -2.170 1.374 1.084 1.00 1.22 H new ATOM 1651 N HIS B 42 -1.085 4.379 3.947 1.00 0.50 N ATOM 1652 CA HIS B 42 -0.220 5.453 3.380 1.00 0.53 C ATOM 1653 C HIS B 42 0.871 5.794 4.376 1.00 0.55 C ATOM 1654 O HIS B 42 2.045 5.726 4.074 1.00 0.63 O ATOM 1655 CB HIS B 42 -1.086 6.684 3.103 1.00 0.54 C ATOM 1656 CG HIS B 42 -0.320 7.858 2.498 1.00 0.60 C ATOM 1657 ND1 HIS B 42 -0.678 8.460 1.414 1.00 0.61 N ATOM 1658 CD2 HIS B 42 0.824 8.526 2.901 1.00 1.21 C ATOM 1659 CE1 HIS B 42 0.153 9.414 1.149 1.00 0.64 C ATOM 1660 NE2 HIS B 42 1.105 9.491 2.048 1.00 1.13 N ATOM 0 H HIS B 42 -2.086 4.570 3.912 1.00 0.50 H new ATOM 0 HA HIS B 42 0.242 5.118 2.452 1.00 0.53 H new ATOM 0 HB2 HIS B 42 -1.893 6.403 2.427 1.00 0.54 H new ATOM 0 HB3 HIS B 42 -1.549 7.007 4.035 1.00 0.54 H new ATOM 0 HD1 HIS B 42 -1.494 8.219 0.851 1.00 0.61 H new ATOM 0 HD2 HIS B 42 1.401 8.291 3.783 1.00 1.21 H new ATOM 0 HE1 HIS B 42 0.073 10.067 0.293 1.00 0.64 H new ATOM 1668 N ASP B 43 0.443 6.155 5.548 1.00 0.56 N ATOM 1669 CA ASP B 43 1.399 6.532 6.621 1.00 0.64 C ATOM 1670 C ASP B 43 2.423 5.455 6.870 1.00 0.60 C ATOM 1671 O ASP B 43 3.611 5.695 6.835 1.00 0.62 O ATOM 1672 CB ASP B 43 0.676 6.765 7.919 1.00 0.80 C ATOM 1673 CG ASP B 43 1.762 6.944 8.971 1.00 1.22 C ATOM 1674 OD1 ASP B 43 2.506 7.896 8.803 1.00 1.51 O ATOM 1675 OD2 ASP B 43 1.774 6.120 9.868 1.00 1.86 O ATOM 0 H ASP B 43 -0.541 6.206 5.813 1.00 0.56 H new ATOM 0 HA ASP B 43 1.895 7.440 6.279 1.00 0.64 H new ATOM 0 HB2 ASP B 43 0.040 7.648 7.859 1.00 0.80 H new ATOM 0 HB3 ASP B 43 0.030 5.922 8.164 1.00 0.80 H new ATOM 1680 N HIS B 44 1.923 4.280 7.113 1.00 0.60 N ATOM 1681 CA HIS B 44 2.842 3.147 7.389 1.00 0.63 C ATOM 1682 C HIS B 44 3.783 2.924 6.216 1.00 0.60 C ATOM 1683 O HIS B 44 4.883 2.435 6.376 1.00 0.68 O ATOM 1684 CB HIS B 44 2.033 1.874 7.625 1.00 0.65 C ATOM 1685 CG HIS B 44 2.997 0.735 7.976 1.00 1.02 C ATOM 1686 ND1 HIS B 44 4.160 0.885 8.524 1.00 1.67 N ATOM 1687 CD2 HIS B 44 2.873 -0.636 7.807 1.00 1.54 C ATOM 1688 CE1 HIS B 44 4.715 -0.272 8.687 1.00 2.24 C ATOM 1689 NE2 HIS B 44 3.953 -1.246 8.255 1.00 2.16 N ATOM 0 H HIS B 44 0.928 4.056 7.133 1.00 0.60 H new ATOM 0 HA HIS B 44 3.428 3.387 8.276 1.00 0.63 H new ATOM 0 HB2 HIS B 44 1.318 2.026 8.433 1.00 0.65 H new ATOM 0 HB3 HIS B 44 1.458 1.621 6.734 1.00 0.65 H new ATOM 0 HD2 HIS B 44 2.017 -1.131 7.372 1.00 1.54 H new ATOM 0 HE1 HIS B 44 5.691 -0.418 9.127 1.00 2.24 H new ATOM 0 HE2 HIS B 44 4.150 -2.247 8.263 1.00 2.16 H new ATOM 1697 N ALA B 45 3.348 3.285 5.043 1.00 0.57 N ATOM 1698 CA ALA B 45 4.248 3.062 3.883 1.00 0.62 C ATOM 1699 C ALA B 45 5.467 3.937 4.058 1.00 0.59 C ATOM 1700 O ALA B 45 6.510 3.657 3.504 1.00 0.61 O ATOM 1701 CB ALA B 45 3.570 3.446 2.568 1.00 0.70 C ATOM 0 H ALA B 45 2.443 3.709 4.841 1.00 0.57 H new ATOM 0 HA ALA B 45 4.510 2.005 3.843 1.00 0.62 H new ATOM 0 HB1 ALA B 45 4.257 3.270 1.740 1.00 0.70 H new ATOM 0 HB2 ALA B 45 2.674 2.841 2.431 1.00 0.70 H new ATOM 0 HB3 ALA B 45 3.296 4.501 2.594 1.00 0.70 H new ATOM 1707 N ASP B 46 5.324 4.984 4.820 1.00 0.60 N ATOM 1708 CA ASP B 46 6.516 5.852 5.001 1.00 0.65 C ATOM 1709 C ASP B 46 7.481 5.108 5.878 1.00 0.65 C ATOM 1710 O ASP B 46 8.669 5.304 5.793 1.00 0.65 O ATOM 1711 CB ASP B 46 6.249 7.152 5.742 1.00 0.76 C ATOM 1712 CG ASP B 46 7.477 8.051 5.552 1.00 0.88 C ATOM 1713 OD1 ASP B 46 8.098 7.928 4.509 1.00 1.04 O ATOM 1714 OD2 ASP B 46 7.732 8.822 6.455 1.00 1.45 O ATOM 0 H ASP B 46 4.473 5.268 5.306 1.00 0.60 H new ATOM 0 HA ASP B 46 6.870 6.089 3.998 1.00 0.65 H new ATOM 0 HB2 ASP B 46 5.354 7.638 5.353 1.00 0.76 H new ATOM 0 HB3 ASP B 46 6.074 6.961 6.801 1.00 0.76 H new ATOM 1719 N GLU B 47 6.977 4.264 6.724 1.00 0.71 N ATOM 1720 CA GLU B 47 7.940 3.524 7.571 1.00 0.81 C ATOM 1721 C GLU B 47 8.726 2.644 6.623 1.00 0.75 C ATOM 1722 O GLU B 47 9.932 2.524 6.705 1.00 0.81 O ATOM 1723 CB GLU B 47 7.201 2.647 8.577 1.00 0.97 C ATOM 1724 CG GLU B 47 6.272 3.522 9.420 1.00 1.17 C ATOM 1725 CD GLU B 47 7.127 4.538 10.167 1.00 1.52 C ATOM 1726 OE1 GLU B 47 8.230 4.171 10.533 1.00 1.97 O ATOM 1727 OE2 GLU B 47 6.643 5.639 10.336 1.00 2.02 O ATOM 0 H GLU B 47 5.988 4.060 6.864 1.00 0.71 H new ATOM 0 HA GLU B 47 8.580 4.206 8.131 1.00 0.81 H new ATOM 0 HB2 GLU B 47 6.626 1.881 8.056 1.00 0.97 H new ATOM 0 HB3 GLU B 47 7.914 2.129 9.219 1.00 0.97 H new ATOM 0 HG2 GLU B 47 5.546 4.029 8.784 1.00 1.17 H new ATOM 0 HG3 GLU B 47 5.707 2.910 10.123 1.00 1.17 H new ATOM 1734 N LEU B 48 7.997 2.044 5.729 1.00 0.72 N ATOM 1735 CA LEU B 48 8.671 1.155 4.757 1.00 0.77 C ATOM 1736 C LEU B 48 9.560 2.021 3.881 1.00 0.68 C ATOM 1737 O LEU B 48 10.481 1.529 3.263 1.00 0.93 O ATOM 1738 CB LEU B 48 7.620 0.440 3.894 1.00 0.85 C ATOM 1739 CG LEU B 48 8.290 -0.565 2.922 1.00 0.87 C ATOM 1740 CD1 LEU B 48 9.067 -1.653 3.689 1.00 1.52 C ATOM 1741 CD2 LEU B 48 7.202 -1.234 2.078 1.00 1.40 C ATOM 0 H LEU B 48 6.985 2.129 5.631 1.00 0.72 H new ATOM 0 HA LEU B 48 9.264 0.400 5.272 1.00 0.77 H new ATOM 0 HB2 LEU B 48 6.913 -0.086 4.536 1.00 0.85 H new ATOM 0 HB3 LEU B 48 7.049 1.175 3.326 1.00 0.85 H new ATOM 0 HG LEU B 48 8.993 -0.021 2.291 1.00 0.87 H new ATOM 0 HD11 LEU B 48 9.525 -2.342 2.979 1.00 1.52 H new ATOM 0 HD12 LEU B 48 9.844 -1.187 4.295 1.00 1.52 H new ATOM 0 HD13 LEU B 48 8.382 -2.201 4.336 1.00 1.52 H new ATOM 0 HD21 LEU B 48 7.661 -1.944 1.390 1.00 1.40 H new ATOM 0 HD22 LEU B 48 6.506 -1.760 2.732 1.00 1.40 H new ATOM 0 HD23 LEU B 48 6.663 -0.475 1.511 1.00 1.40 H new ATOM 1753 N TYR B 49 9.266 3.288 3.842 1.00 0.59 N ATOM 1754 CA TYR B 49 10.102 4.173 2.997 1.00 0.54 C ATOM 1755 C TYR B 49 11.147 4.861 3.867 1.00 0.59 C ATOM 1756 O TYR B 49 12.228 4.343 4.046 1.00 0.82 O ATOM 1757 CB TYR B 49 9.201 5.216 2.306 1.00 0.61 C ATOM 1758 CG TYR B 49 10.044 6.068 1.350 1.00 0.64 C ATOM 1759 CD1 TYR B 49 10.459 5.544 0.144 1.00 1.29 C ATOM 1760 CD2 TYR B 49 10.400 7.363 1.670 1.00 1.33 C ATOM 1761 CE1 TYR B 49 11.216 6.293 -0.731 1.00 1.32 C ATOM 1762 CE2 TYR B 49 11.158 8.114 0.798 1.00 1.40 C ATOM 1763 CZ TYR B 49 11.572 7.586 -0.410 1.00 0.85 C ATOM 1764 OH TYR B 49 12.336 8.336 -1.283 1.00 0.99 O ATOM 0 H TYR B 49 8.502 3.739 4.346 1.00 0.59 H new ATOM 0 HA TYR B 49 10.613 3.587 2.232 1.00 0.54 H new ATOM 0 HB2 TYR B 49 8.403 4.716 1.757 1.00 0.61 H new ATOM 0 HB3 TYR B 49 8.724 5.852 3.052 1.00 0.61 H new ATOM 0 HD1 TYR B 49 10.187 4.532 -0.119 1.00 1.29 H new ATOM 0 HD2 TYR B 49 10.082 7.790 2.610 1.00 1.33 H new ATOM 0 HE1 TYR B 49 11.531 5.866 -1.671 1.00 1.32 H new ATOM 0 HE2 TYR B 49 11.431 9.125 1.061 1.00 1.40 H new ATOM 0 HH TYR B 49 12.494 9.224 -0.900 1.00 0.99 H new ATOM 1774 N ARG B 50 10.787 5.999 4.389 1.00 0.71 N ATOM 1775 CA ARG B 50 11.677 6.832 5.238 1.00 0.95 C ATOM 1776 C ARG B 50 12.545 6.043 6.202 1.00 1.15 C ATOM 1777 O ARG B 50 13.756 6.124 6.125 1.00 1.19 O ATOM 1778 CB ARG B 50 10.795 7.795 6.017 1.00 1.20 C ATOM 1779 CG ARG B 50 11.580 8.654 7.007 1.00 1.44 C ATOM 1780 CD ARG B 50 10.727 8.744 8.284 1.00 1.54 C ATOM 1781 NE ARG B 50 10.514 7.355 8.786 1.00 1.70 N ATOM 1782 CZ ARG B 50 9.343 7.017 9.279 1.00 1.79 C ATOM 1783 NH1 ARG B 50 8.304 6.991 8.475 1.00 2.29 N ATOM 1784 NH2 ARG B 50 9.273 6.717 10.558 1.00 2.21 N ATOM 0 H ARG B 50 9.861 6.404 4.252 1.00 0.71 H new ATOM 0 HA ARG B 50 12.375 7.346 4.577 1.00 0.95 H new ATOM 0 HB2 ARG B 50 10.269 8.445 5.317 1.00 1.20 H new ATOM 0 HB3 ARG B 50 10.037 7.229 6.557 1.00 1.20 H new ATOM 0 HG2 ARG B 50 12.552 8.209 7.221 1.00 1.44 H new ATOM 0 HG3 ARG B 50 11.767 9.646 6.596 1.00 1.44 H new ATOM 0 HD2 ARG B 50 11.230 9.350 9.038 1.00 1.54 H new ATOM 0 HD3 ARG B 50 9.772 9.225 8.073 1.00 1.54 H new ATOM 0 HE ARG B 50 11.271 6.673 8.747 1.00 1.70 H new ATOM 0 HH11 ARG B 50 8.415 7.230 7.490 1.00 2.29 H new ATOM 0 HH12 ARG B 50 7.386 6.732 8.836 1.00 2.29 H new ATOM 0 HH21 ARG B 50 10.112 6.751 11.136 1.00 2.21 H new ATOM 0 HH22 ARG B 50 8.379 6.451 10.971 1.00 2.21 H new ATOM 1798 N SER B 51 11.929 5.309 7.085 1.00 1.40 N ATOM 1799 CA SER B 51 12.759 4.555 8.054 1.00 1.77 C ATOM 1800 C SER B 51 13.672 3.623 7.281 1.00 1.70 C ATOM 1801 O SER B 51 14.877 3.640 7.431 1.00 1.91 O ATOM 1802 CB SER B 51 11.839 3.770 8.958 1.00 2.04 C ATOM 1803 OG SER B 51 10.761 4.677 9.127 1.00 2.11 O ATOM 0 H SER B 51 10.919 5.201 7.175 1.00 1.40 H new ATOM 0 HA SER B 51 13.368 5.226 8.660 1.00 1.77 H new ATOM 0 HB2 SER B 51 11.518 2.833 8.502 1.00 2.04 H new ATOM 0 HB3 SER B 51 12.314 3.517 9.906 1.00 2.04 H new ATOM 0 HG SER B 51 10.072 4.265 9.688 1.00 2.11 H new ATOM 1809 N CYS B 52 13.095 2.818 6.444 1.00 1.50 N ATOM 1810 CA CYS B 52 13.990 1.904 5.711 1.00 1.60 C ATOM 1811 C CYS B 52 14.798 2.647 4.686 1.00 1.30 C ATOM 1812 O CYS B 52 15.539 2.040 3.954 1.00 1.42 O ATOM 1813 CB CYS B 52 13.205 0.831 4.980 1.00 1.71 C ATOM 1814 SG CYS B 52 12.060 -0.166 5.966 1.00 2.41 S ATOM 0 H CYS B 52 12.097 2.754 6.244 1.00 1.50 H new ATOM 0 HA CYS B 52 14.644 1.450 6.455 1.00 1.60 H new ATOM 0 HB2 CYS B 52 12.637 1.311 4.183 1.00 1.71 H new ATOM 0 HB3 CYS B 52 13.916 0.157 4.503 1.00 1.71 H new ATOM 0 HG CYS B 52 11.100 0.589 6.412 1.00 2.41 H new ATOM 1820 N LEU B 53 14.694 3.927 4.593 1.00 1.00 N ATOM 1821 CA LEU B 53 15.519 4.556 3.547 1.00 0.95 C ATOM 1822 C LEU B 53 16.840 4.895 4.192 1.00 1.09 C ATOM 1823 O LEU B 53 17.886 4.689 3.609 1.00 1.19 O ATOM 1824 CB LEU B 53 14.860 5.833 3.062 1.00 0.98 C ATOM 1825 CG LEU B 53 15.251 6.156 1.616 1.00 1.21 C ATOM 1826 CD1 LEU B 53 14.819 7.591 1.345 1.00 1.56 C ATOM 1827 CD2 LEU B 53 16.757 5.972 1.354 1.00 1.58 C ATOM 0 H LEU B 53 14.108 4.540 5.160 1.00 1.00 H new ATOM 0 HA LEU B 53 15.643 3.889 2.694 1.00 0.95 H new ATOM 0 HB2 LEU B 53 13.777 5.734 3.133 1.00 0.98 H new ATOM 0 HB3 LEU B 53 15.147 6.660 3.711 1.00 0.98 H new ATOM 0 HG LEU B 53 14.752 5.461 0.940 1.00 1.21 H new ATOM 0 HD11 LEU B 53 15.080 7.862 0.322 1.00 1.56 H new ATOM 0 HD12 LEU B 53 13.741 7.678 1.480 1.00 1.56 H new ATOM 0 HD13 LEU B 53 15.327 8.261 2.039 1.00 1.56 H new ATOM 0 HD21 LEU B 53 16.978 6.214 0.314 1.00 1.58 H new ATOM 0 HD22 LEU B 53 17.324 6.634 2.009 1.00 1.58 H new ATOM 0 HD23 LEU B 53 17.037 4.938 1.553 1.00 1.58 H new ATOM 1839 N ALA B 54 16.733 5.402 5.387 1.00 1.32 N ATOM 1840 CA ALA B 54 17.951 5.809 6.140 1.00 1.66 C ATOM 1841 C ALA B 54 19.076 4.813 5.951 1.00 1.77 C ATOM 1842 O ALA B 54 20.215 5.189 5.760 1.00 2.00 O ATOM 1843 CB ALA B 54 17.643 5.898 7.626 1.00 1.85 C ATOM 0 H ALA B 54 15.851 5.553 5.877 1.00 1.32 H new ATOM 0 HA ALA B 54 18.260 6.780 5.754 1.00 1.66 H new ATOM 0 HB1 ALA B 54 18.541 6.196 8.167 1.00 1.85 H new ATOM 0 HB2 ALA B 54 16.858 6.636 7.791 1.00 1.85 H new ATOM 0 HB3 ALA B 54 17.309 4.925 7.987 1.00 1.85 H new ATOM 1849 N ARG B 55 18.721 3.563 6.004 1.00 1.75 N ATOM 1850 CA ARG B 55 19.752 2.504 5.845 1.00 1.93 C ATOM 1851 C ARG B 55 19.446 1.676 4.615 1.00 1.58 C ATOM 1852 O ARG B 55 20.271 0.868 4.245 1.00 1.71 O ATOM 1853 CB ARG B 55 19.708 1.591 7.059 1.00 2.36 C ATOM 1854 CG ARG B 55 20.793 0.498 7.077 1.00 2.73 C ATOM 1855 CD ARG B 55 20.575 -0.356 8.345 1.00 3.04 C ATOM 1856 NE ARG B 55 19.118 -0.648 8.475 1.00 2.92 N ATOM 1857 CZ ARG B 55 18.701 -1.884 8.640 1.00 3.13 C ATOM 1858 NH1 ARG B 55 18.969 -2.766 7.700 1.00 3.65 N ATOM 1859 NH2 ARG B 55 18.036 -2.173 9.736 1.00 3.41 N ATOM 0 H ARG B 55 17.768 3.229 6.150 1.00 1.75 H new ATOM 0 HA ARG B 55 20.734 2.966 5.746 1.00 1.93 H new ATOM 0 HB2 ARG B 55 19.808 2.199 7.958 1.00 2.36 H new ATOM 0 HB3 ARG B 55 18.729 1.114 7.104 1.00 2.36 H new ATOM 0 HG2 ARG B 55 20.727 -0.121 6.182 1.00 2.73 H new ATOM 0 HG3 ARG B 55 21.787 0.945 7.083 1.00 2.73 H new ATOM 0 HD2 ARG B 55 21.143 -1.284 8.279 1.00 3.04 H new ATOM 0 HD3 ARG B 55 20.935 0.176 9.226 1.00 3.04 H new ATOM 0 HE ARG B 55 18.442 0.115 8.436 1.00 2.92 H new ATOM 0 HH11 ARG B 55 19.489 -2.484 6.869 1.00 3.65 H new ATOM 0 HH12 ARG B 55 18.657 -3.732 7.803 1.00 3.65 H new ATOM 0 HH21 ARG B 55 17.856 -1.447 10.430 1.00 3.41 H new ATOM 0 HH22 ARG B 55 17.699 -3.123 9.893 1.00 3.41 H new ATOM 1873 N PHE B 56 18.306 1.896 4.012 1.00 1.42 N ATOM 1874 CA PHE B 56 17.891 1.030 2.879 1.00 1.63 C ATOM 1875 C PHE B 56 17.836 -0.160 3.787 1.00 2.45 C ATOM 1876 O PHE B 56 18.404 -1.216 3.604 1.00 3.11 O ATOM 1877 CB PHE B 56 18.924 0.735 1.789 1.00 1.48 C ATOM 1878 CG PHE B 56 18.203 -0.348 0.972 1.00 1.19 C ATOM 1879 CD1 PHE B 56 16.952 -0.107 0.439 1.00 1.63 C ATOM 1880 CD2 PHE B 56 18.777 -1.587 0.789 1.00 1.30 C ATOM 1881 CE1 PHE B 56 16.282 -1.091 -0.261 1.00 1.51 C ATOM 1882 CE2 PHE B 56 18.108 -2.569 0.090 1.00 1.24 C ATOM 1883 CZ PHE B 56 16.861 -2.324 -0.436 1.00 0.99 C ATOM 0 H PHE B 56 17.649 2.637 4.258 1.00 1.42 H new ATOM 0 HA PHE B 56 17.057 1.397 2.282 1.00 1.63 H new ATOM 0 HB2 PHE B 56 19.153 1.617 1.190 1.00 1.48 H new ATOM 0 HB3 PHE B 56 19.867 0.378 2.203 1.00 1.48 H new ATOM 0 HD1 PHE B 56 16.493 0.861 0.571 1.00 1.63 H new ATOM 0 HD2 PHE B 56 19.757 -1.790 1.196 1.00 1.30 H new ATOM 0 HE1 PHE B 56 15.303 -0.891 -0.671 1.00 1.51 H new ATOM 0 HE2 PHE B 56 18.566 -3.538 -0.046 1.00 1.24 H new ATOM 0 HZ PHE B 56 16.341 -3.096 -0.983 1.00 0.99 H new ATOM 1893 N GLY B 57 17.109 0.121 4.817 1.00 2.70 N ATOM 1894 CA GLY B 57 16.907 -0.876 5.878 1.00 3.77 C ATOM 1895 C GLY B 57 16.426 -0.036 7.030 1.00 4.43 C ATOM 1896 O GLY B 57 16.666 1.155 7.032 1.00 4.85 O ATOM 0 H GLY B 57 16.640 1.014 4.969 1.00 2.70 H new ATOM 0 HA2 GLY B 57 16.173 -1.630 5.592 1.00 3.77 H new ATOM 0 HA3 GLY B 57 17.829 -1.404 6.119 1.00 3.77 H new ATOM 1900 N ASP B 58 15.768 -0.670 7.952 1.00 4.82 N ATOM 1901 CA ASP B 58 15.202 0.024 9.146 1.00 5.78 C ATOM 1902 C ASP B 58 16.118 1.104 9.688 1.00 6.31 C ATOM 1903 O ASP B 58 17.322 0.941 9.696 1.00 6.58 O ATOM 1904 CB ASP B 58 14.952 -0.983 10.242 1.00 6.24 C ATOM 1905 CG ASP B 58 13.914 -2.019 9.803 1.00 6.76 C ATOM 1906 OD1 ASP B 58 13.665 -2.104 8.611 1.00 7.19 O ATOM 1907 OD2 ASP B 58 13.424 -2.682 10.700 1.00 6.88 O ATOM 0 H ASP B 58 15.591 -1.674 7.931 1.00 4.82 H new ATOM 0 HA ASP B 58 14.276 0.500 8.825 1.00 5.78 H new ATOM 0 HB2 ASP B 58 15.885 -1.484 10.501 1.00 6.24 H new ATOM 0 HB3 ASP B 58 14.605 -0.471 11.140 1.00 6.24 H new ATOM 1912 N ASP B 59 15.527 2.177 10.129 1.00 6.74 N ATOM 1913 CA ASP B 59 16.334 3.308 10.668 1.00 7.58 C ATOM 1914 C ASP B 59 16.521 3.196 12.175 1.00 8.01 C ATOM 1915 O ASP B 59 17.264 2.365 12.658 1.00 8.18 O ATOM 1916 CB ASP B 59 15.640 4.645 10.357 1.00 8.09 C ATOM 1917 CG ASP B 59 16.465 5.788 10.951 1.00 8.40 C ATOM 1918 OD1 ASP B 59 17.666 5.766 10.748 1.00 8.62 O ATOM 1919 OD2 ASP B 59 15.833 6.620 11.580 1.00 8.56 O ATOM 0 H ASP B 59 14.517 2.321 10.140 1.00 6.74 H new ATOM 0 HA ASP B 59 17.312 3.267 10.189 1.00 7.58 H new ATOM 0 HB2 ASP B 59 15.539 4.775 9.279 1.00 8.09 H new ATOM 0 HB3 ASP B 59 14.633 4.652 10.774 1.00 8.09 H new ATOM 1924 N GLY B 60 15.837 4.029 12.904 1.00 8.32 N ATOM 1925 CA GLY B 60 15.991 4.009 14.374 1.00 8.93 C ATOM 1926 C GLY B 60 15.386 2.758 14.971 1.00 9.28 C ATOM 1927 O GLY B 60 15.611 2.464 16.130 1.00 9.74 O ATOM 0 H GLY B 60 15.180 4.720 12.542 1.00 8.32 H new ATOM 0 HA2 GLY B 60 17.049 4.063 14.632 1.00 8.93 H new ATOM 0 HA3 GLY B 60 15.512 4.889 14.804 1.00 8.93 H new ATOM 1931 N GLU B 61 14.631 2.043 14.189 1.00 9.25 N ATOM 1932 CA GLU B 61 14.027 0.818 14.754 1.00 9.85 C ATOM 1933 C GLU B 61 15.203 -0.084 15.085 1.00 10.44 C ATOM 1934 O GLU B 61 15.242 -0.716 16.121 1.00 10.96 O ATOM 1935 CB GLU B 61 13.117 0.140 13.721 1.00 9.95 C ATOM 1936 CG GLU B 61 12.026 1.112 13.226 1.00 9.52 C ATOM 1937 CD GLU B 61 12.615 2.075 12.199 1.00 9.36 C ATOM 1938 OE1 GLU B 61 12.953 1.580 11.142 1.00 9.14 O ATOM 1939 OE2 GLU B 61 12.701 3.248 12.522 1.00 9.60 O ATOM 0 H GLU B 61 14.413 2.247 13.214 1.00 9.25 H new ATOM 0 HA GLU B 61 13.412 1.034 15.627 1.00 9.85 H new ATOM 0 HB2 GLU B 61 13.713 -0.205 12.876 1.00 9.95 H new ATOM 0 HB3 GLU B 61 12.651 -0.741 14.163 1.00 9.95 H new ATOM 0 HG2 GLU B 61 11.202 0.553 12.782 1.00 9.52 H new ATOM 0 HG3 GLU B 61 11.615 1.670 14.067 1.00 9.52 H new ATOM 1946 N ASN B 62 16.136 -0.111 14.178 1.00 10.52 N ATOM 1947 CA ASN B 62 17.366 -0.933 14.356 1.00 11.24 C ATOM 1948 C ASN B 62 18.079 -0.818 13.039 1.00 11.48 C ATOM 1949 O ASN B 62 17.456 -0.498 12.050 1.00 11.62 O ATOM 1950 CB ASN B 62 17.086 -2.432 14.589 1.00 11.72 C ATOM 1951 CG ASN B 62 16.417 -3.073 13.368 1.00 12.30 C ATOM 1952 OD1 ASN B 62 15.457 -2.447 12.747 1.00 12.60 O flip ATOM 1953 ND2 ASN B 62 16.766 -4.167 12.969 1.00 12.60 N flip ATOM 0 H ASN B 62 16.098 0.412 13.303 1.00 10.52 H new ATOM 0 HA ASN B 62 17.915 -0.579 15.228 1.00 11.24 H new ATOM 0 HB2 ASN B 62 18.021 -2.949 14.807 1.00 11.72 H new ATOM 0 HB3 ASN B 62 16.445 -2.552 15.462 1.00 11.72 H new ATOM 0 HD21 ASN B 62 17.516 -4.668 13.445 1.00 12.60 H new ATOM 0 HD22 ASN B 62 16.309 -4.584 12.158 1.00 12.60 H new ATOM 1960 N LEU B 63 19.354 -1.076 13.057 1.00 11.67 N ATOM 1961 CA LEU B 63 20.148 -0.988 11.807 1.00 12.09 C ATOM 1962 C LEU B 63 20.286 -2.423 11.346 1.00 12.33 C ATOM 1963 O LEU B 63 21.029 -2.650 10.409 1.00 12.50 O ATOM 1964 CB LEU B 63 21.544 -0.404 12.078 1.00 12.49 C ATOM 1965 CG LEU B 63 21.498 1.130 12.319 1.00 12.64 C ATOM 1966 CD1 LEU B 63 20.659 1.517 13.552 1.00 12.78 C ATOM 1967 CD2 LEU B 63 22.936 1.642 12.508 1.00 12.96 C ATOM 1968 OXT LEU B 63 19.614 -3.210 11.986 1.00 12.46 O ATOM 0 H LEU B 63 19.881 -1.345 13.888 1.00 11.67 H new ATOM 0 HA LEU B 63 19.670 -0.341 11.071 1.00 12.09 H new ATOM 0 HB2 LEU B 63 21.979 -0.895 12.949 1.00 12.49 H new ATOM 0 HB3 LEU B 63 22.197 -0.618 11.232 1.00 12.49 H new ATOM 0 HG LEU B 63 21.023 1.586 11.450 1.00 12.64 H new ATOM 0 HD11 LEU B 63 20.664 2.601 13.670 1.00 12.78 H new ATOM 0 HD12 LEU B 63 19.634 1.171 13.418 1.00 12.78 H new ATOM 0 HD13 LEU B 63 21.085 1.054 14.442 1.00 12.78 H new ATOM 0 HD21 LEU B 63 22.920 2.718 12.678 1.00 12.96 H new ATOM 0 HD22 LEU B 63 23.389 1.146 13.366 1.00 12.96 H new ATOM 0 HD23 LEU B 63 23.520 1.425 11.614 1.00 12.96 H new TER 1980 LEU B 63