USER MOD reduce.3.24.130724 H: found=0, std=0, add=790, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 791 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 81 HIS : no HD1:sc= 0 X(o=0,f=-0.033) USER MOD Set 1.2: A 124 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 106 CYS SG : rot 109:sc= 0.957 USER MOD Set 2.2: A 110 SER OG : rot 75:sc= 1.25 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=-0.0018) USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 CYS SG : rot 180:sc= -0.0138 USER MOD Single : A 59 TYR OH : rot 180:sc=-0.00134 USER MOD Single : A 60 LYS NZ :NH3+ -136:sc= 0.958 (180deg=-2.44!) USER MOD Single : A 63 ASN : amide:sc= -0.257 K(o=-0.26,f=-8.7!) USER MOD Single : A 65 LYS NZ :NH3+ -174:sc=-0.00853 (180deg=-0.0752) USER MOD Single : A 74 CYS SG : rot 68:sc= -0.194 USER MOD Single : A 75 LYS NZ :NH3+ -164:sc= 1.26 (180deg=1.13) USER MOD Single : A 76 MET CE :methyl 165:sc= -3.88! (180deg=-4.15!) USER MOD Single : A 77 GLN : amide:sc= -0.911 K(o=-0.91,f=-2.2!) USER MOD Single : A 78 THR OG1 : rot -30:sc= 1.24 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -0.0864 X(o=-0.086,f=-0.11) USER MOD Single : A 92 GLN : amide:sc= -0.926! C(o=-0.93!,f=-6.9!) USER MOD Single : A 93 GLN : amide:sc= -0.445 X(o=-0.44,f=-0.38) USER MOD Single : A 96 HIS : no HD1:sc= -5.09! C(o=-5.1!,f=-11!) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 51:sc= 1.26 USER MOD Single : A 107 ASN : amide:sc= -0.02 X(o=-0.02,f=-0.48) USER MOD Single : A 114 SER OG : rot 109:sc= 1.25 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 TYR OH : rot -30:sc= -1.6! USER MOD Single : A 128 ASN :FLIP amide:sc= -0.975 F(o=-3.5!,f=-0.98) USER MOD Single : A 131 CYS SG : rot 118:sc= 0.533 USER MOD Single : A 132 THR OG1 : rot 84:sc= 1.26 USER MOD Single : A 135 LYS NZ :NH3+ -164:sc= -0.0377 (180deg=-0.277) USER MOD Single : A 137 HIS : no HD1:sc= -0.299 X(o=-0.3,f=-0.26) USER MOD Single : A 138 SER OG : rot -79:sc= 1.17 USER MOD Single : A 140 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0649) USER MOD Single : A 141 LYS NZ :NH3+ 131:sc= 0.818 (180deg=0.36) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 144 ASN : amide:sc= -1.85! C(o=-1.9!,f=-5.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 51 -22.105 -3.275 3.070 1.00 11.48 N ATOM 2 CA GLY A 51 -22.800 -4.514 3.487 1.00 11.08 C ATOM 3 C GLY A 51 -23.103 -4.521 4.969 1.00 10.43 C ATOM 4 O GLY A 51 -22.190 -4.577 5.794 1.00 10.45 O ATOM 0 HA2 GLY A 51 -23.729 -4.615 2.926 1.00 11.08 H new ATOM 0 HA3 GLY A 51 -22.183 -5.377 3.239 1.00 11.08 H new ATOM 10 N SER A 52 -24.387 -4.454 5.309 1.00 10.08 N ATOM 11 CA SER A 52 -24.810 -4.434 6.704 1.00 9.69 C ATOM 12 C SER A 52 -24.344 -5.693 7.435 1.00 9.02 C ATOM 13 O SER A 52 -23.729 -5.613 8.497 1.00 8.98 O ATOM 14 CB SER A 52 -26.333 -4.303 6.786 1.00 10.27 C ATOM 15 OG SER A 52 -26.776 -3.154 6.084 1.00 10.53 O ATOM 0 H SER A 52 -25.153 -4.413 4.636 1.00 10.08 H new ATOM 0 HA SER A 52 -24.352 -3.573 7.191 1.00 9.69 H new ATOM 0 HB2 SER A 52 -26.803 -5.194 6.369 1.00 10.27 H new ATOM 0 HB3 SER A 52 -26.642 -4.239 7.829 1.00 10.27 H new ATOM 0 HG SER A 52 -27.752 -3.088 6.146 1.00 10.53 H new ATOM 21 N HIS A 53 -24.625 -6.852 6.855 1.00 8.73 N ATOM 22 CA HIS A 53 -24.237 -8.118 7.468 1.00 8.32 C ATOM 23 C HIS A 53 -23.202 -8.842 6.615 1.00 7.73 C ATOM 24 O HIS A 53 -22.027 -8.913 6.976 1.00 7.87 O ATOM 25 CB HIS A 53 -25.461 -9.018 7.680 1.00 8.73 C ATOM 26 CG HIS A 53 -26.496 -8.421 8.583 1.00 9.23 C ATOM 27 ND1 HIS A 53 -27.781 -8.202 8.154 1.00 9.69 N ATOM 28 CD2 HIS A 53 -26.386 -8.022 9.872 1.00 9.62 C ATOM 29 CE1 HIS A 53 -28.421 -7.679 9.185 1.00 10.29 C ATOM 30 NE2 HIS A 53 -27.617 -7.549 10.249 1.00 10.28 N ATOM 0 H HIS A 53 -25.117 -6.943 5.966 1.00 8.73 H new ATOM 0 HA HIS A 53 -23.793 -7.894 8.438 1.00 8.32 H new ATOM 0 HB2 HIS A 53 -25.915 -9.233 6.713 1.00 8.73 H new ATOM 0 HB3 HIS A 53 -25.133 -9.970 8.097 1.00 8.73 H new ATOM 0 HD2 HIS A 53 -25.499 -8.067 10.486 1.00 9.62 H new ATOM 0 HE1 HIS A 53 -29.462 -7.392 9.172 1.00 10.29 H new ATOM 0 HE2 HIS A 53 -27.871 -7.172 11.162 1.00 10.28 H new ATOM 38 N MET A 54 -23.644 -9.362 5.476 1.00 7.35 N ATOM 39 CA MET A 54 -22.772 -10.126 4.590 1.00 7.08 C ATOM 40 C MET A 54 -21.917 -9.207 3.730 1.00 6.25 C ATOM 41 O MET A 54 -22.436 -8.437 2.921 1.00 6.50 O ATOM 42 CB MET A 54 -23.599 -11.051 3.691 1.00 7.61 C ATOM 43 CG MET A 54 -24.282 -12.180 4.444 1.00 8.34 C ATOM 44 SD MET A 54 -23.108 -13.277 5.264 1.00 8.78 S ATOM 45 CE MET A 54 -24.225 -14.419 6.071 1.00 9.55 C ATOM 0 H MET A 54 -24.604 -9.268 5.143 1.00 7.35 H new ATOM 0 HA MET A 54 -22.112 -10.727 5.215 1.00 7.08 H new ATOM 0 HB2 MET A 54 -24.355 -10.460 3.174 1.00 7.61 H new ATOM 0 HB3 MET A 54 -22.949 -11.476 2.926 1.00 7.61 H new ATOM 0 HG2 MET A 54 -24.960 -11.759 5.187 1.00 8.34 H new ATOM 0 HG3 MET A 54 -24.891 -12.759 3.749 1.00 8.34 H new ATOM 0 HE1 MET A 54 -23.649 -15.163 6.622 1.00 9.55 H new ATOM 0 HE2 MET A 54 -24.868 -13.873 6.761 1.00 9.55 H new ATOM 0 HE3 MET A 54 -24.839 -14.918 5.321 1.00 9.55 H new ATOM 55 N GLY A 55 -20.609 -9.274 3.935 1.00 5.61 N ATOM 56 CA GLY A 55 -19.684 -8.514 3.120 1.00 5.11 C ATOM 57 C GLY A 55 -19.574 -9.058 1.709 1.00 4.35 C ATOM 58 O GLY A 55 -19.667 -10.269 1.493 1.00 4.69 O ATOM 0 H GLY A 55 -20.170 -9.846 4.657 1.00 5.61 H new ATOM 0 HA2 GLY A 55 -20.008 -7.474 3.081 1.00 5.11 H new ATOM 0 HA3 GLY A 55 -18.700 -8.524 3.588 1.00 5.11 H new ATOM 62 N LYS A 56 -19.374 -8.166 0.750 1.00 3.64 N ATOM 63 CA LYS A 56 -19.251 -8.573 -0.646 1.00 3.11 C ATOM 64 C LYS A 56 -17.809 -8.934 -0.974 1.00 2.55 C ATOM 65 O LYS A 56 -17.543 -9.695 -1.900 1.00 2.86 O ATOM 66 CB LYS A 56 -19.741 -7.475 -1.594 1.00 3.33 C ATOM 67 CG LYS A 56 -18.888 -6.215 -1.590 1.00 3.32 C ATOM 68 CD LYS A 56 -19.273 -5.297 -2.739 1.00 4.10 C ATOM 69 CE LYS A 56 -19.050 -5.980 -4.081 1.00 4.54 C ATOM 70 NZ LYS A 56 -19.595 -5.184 -5.211 1.00 5.01 N ATOM 0 H LYS A 56 -19.294 -7.162 0.909 1.00 3.64 H new ATOM 0 HA LYS A 56 -19.880 -9.452 -0.787 1.00 3.11 H new ATOM 0 HB2 LYS A 56 -19.773 -7.874 -2.608 1.00 3.33 H new ATOM 0 HB3 LYS A 56 -20.763 -7.208 -1.324 1.00 3.33 H new ATOM 0 HG2 LYS A 56 -19.011 -5.690 -0.643 1.00 3.32 H new ATOM 0 HG3 LYS A 56 -17.835 -6.484 -1.671 1.00 3.32 H new ATOM 0 HD2 LYS A 56 -20.320 -5.008 -2.643 1.00 4.10 H new ATOM 0 HD3 LYS A 56 -18.684 -4.381 -2.691 1.00 4.10 H new ATOM 0 HE2 LYS A 56 -17.983 -6.140 -4.233 1.00 4.54 H new ATOM 0 HE3 LYS A 56 -19.521 -6.963 -4.070 1.00 4.54 H new ATOM 0 HZ1 LYS A 56 -19.421 -5.686 -6.105 1.00 5.01 H new ATOM 0 HZ2 LYS A 56 -20.618 -5.052 -5.081 1.00 5.01 H new ATOM 0 HZ3 LYS A 56 -19.127 -4.256 -5.239 1.00 5.01 H new ATOM 84 N LYS A 57 -16.888 -8.380 -0.194 1.00 2.28 N ATOM 85 CA LYS A 57 -15.460 -8.605 -0.363 1.00 1.87 C ATOM 86 C LYS A 57 -14.752 -8.217 0.918 1.00 1.72 C ATOM 87 O LYS A 57 -14.311 -9.077 1.673 1.00 2.48 O ATOM 88 CB LYS A 57 -14.896 -7.814 -1.543 1.00 1.84 C ATOM 89 CG LYS A 57 -14.968 -8.547 -2.876 1.00 2.16 C ATOM 90 CD LYS A 57 -14.278 -9.903 -2.811 1.00 2.61 C ATOM 91 CE LYS A 57 -14.487 -10.697 -4.091 1.00 3.28 C ATOM 92 NZ LYS A 57 -13.983 -12.093 -3.978 1.00 3.67 N ATOM 0 H LYS A 57 -17.115 -7.756 0.580 1.00 2.28 H new ATOM 0 HA LYS A 57 -15.296 -9.661 -0.579 1.00 1.87 H new ATOM 0 HB2 LYS A 57 -15.440 -6.873 -1.628 1.00 1.84 H new ATOM 0 HB3 LYS A 57 -13.856 -7.563 -1.334 1.00 1.84 H new ATOM 0 HG2 LYS A 57 -16.011 -8.683 -3.161 1.00 2.16 H new ATOM 0 HG3 LYS A 57 -14.503 -7.939 -3.651 1.00 2.16 H new ATOM 0 HD2 LYS A 57 -13.211 -9.761 -2.640 1.00 2.61 H new ATOM 0 HD3 LYS A 57 -14.665 -10.469 -1.963 1.00 2.61 H new ATOM 0 HE2 LYS A 57 -15.549 -10.715 -4.335 1.00 3.28 H new ATOM 0 HE3 LYS A 57 -13.979 -10.195 -4.914 1.00 3.28 H new ATOM 0 HZ1 LYS A 57 -14.147 -12.595 -4.874 1.00 3.67 H new ATOM 0 HZ2 LYS A 57 -12.964 -12.078 -3.771 1.00 3.67 H new ATOM 0 HZ3 LYS A 57 -14.485 -12.582 -3.210 1.00 3.67 H new ATOM 106 N CYS A 58 -14.685 -6.908 1.145 1.00 1.35 N ATOM 107 CA CYS A 58 -14.216 -6.328 2.406 1.00 1.14 C ATOM 108 C CYS A 58 -12.847 -6.858 2.831 1.00 0.88 C ATOM 109 O CYS A 58 -12.731 -7.930 3.423 1.00 1.38 O ATOM 110 CB CYS A 58 -15.252 -6.590 3.491 1.00 1.36 C ATOM 111 SG CYS A 58 -16.948 -6.257 2.953 1.00 1.88 S ATOM 0 H CYS A 58 -14.957 -6.210 0.453 1.00 1.35 H new ATOM 0 HA CYS A 58 -14.093 -5.256 2.254 1.00 1.14 H new ATOM 0 HB2 CYS A 58 -15.177 -7.629 3.813 1.00 1.36 H new ATOM 0 HB3 CYS A 58 -15.025 -5.971 4.359 1.00 1.36 H new ATOM 0 HG CYS A 58 -17.770 -6.505 3.929 1.00 1.88 H new ATOM 117 N TYR A 59 -11.816 -6.078 2.557 1.00 0.42 N ATOM 118 CA TYR A 59 -10.458 -6.482 2.889 1.00 0.31 C ATOM 119 C TYR A 59 -9.789 -5.487 3.823 1.00 0.30 C ATOM 120 O TYR A 59 -8.571 -5.411 3.852 1.00 0.33 O ATOM 121 CB TYR A 59 -9.589 -6.614 1.641 1.00 0.67 C ATOM 122 CG TYR A 59 -9.974 -7.742 0.723 1.00 1.01 C ATOM 123 CD1 TYR A 59 -10.889 -7.535 -0.283 1.00 1.22 C ATOM 124 CD2 TYR A 59 -9.401 -8.999 0.845 1.00 1.26 C ATOM 125 CE1 TYR A 59 -11.233 -8.543 -1.157 1.00 1.56 C ATOM 126 CE2 TYR A 59 -9.740 -10.018 -0.017 1.00 1.58 C ATOM 127 CZ TYR A 59 -10.655 -9.785 -1.021 1.00 1.66 C ATOM 128 OH TYR A 59 -10.988 -10.790 -1.894 1.00 2.04 O ATOM 0 H TYR A 59 -11.891 -5.165 2.108 1.00 0.42 H new ATOM 0 HA TYR A 59 -10.545 -7.450 3.382 1.00 0.31 H new ATOM 0 HB2 TYR A 59 -9.634 -5.679 1.083 1.00 0.67 H new ATOM 0 HB3 TYR A 59 -8.553 -6.752 1.949 1.00 0.67 H new ATOM 0 HD1 TYR A 59 -11.347 -6.563 -0.390 1.00 1.22 H new ATOM 0 HD2 TYR A 59 -8.679 -9.181 1.627 1.00 1.26 H new ATOM 0 HE1 TYR A 59 -11.951 -8.360 -1.943 1.00 1.56 H new ATOM 0 HE2 TYR A 59 -9.291 -10.994 0.093 1.00 1.58 H new ATOM 0 HH TYR A 59 -10.492 -11.603 -1.662 1.00 2.04 H new ATOM 138 N LYS A 60 -10.577 -4.717 4.567 1.00 0.29 N ATOM 139 CA LYS A 60 -10.026 -3.653 5.408 1.00 0.29 C ATOM 140 C LYS A 60 -8.900 -4.177 6.304 1.00 0.25 C ATOM 141 O LYS A 60 -7.776 -3.693 6.242 1.00 0.26 O ATOM 142 CB LYS A 60 -11.163 -3.048 6.260 1.00 0.37 C ATOM 143 CG LYS A 60 -10.771 -1.850 7.122 1.00 0.57 C ATOM 144 CD LYS A 60 -10.006 -2.259 8.363 1.00 0.43 C ATOM 145 CE LYS A 60 -9.730 -1.065 9.251 1.00 0.76 C ATOM 146 NZ LYS A 60 -9.038 0.028 8.514 1.00 1.62 N ATOM 0 H LYS A 60 -11.592 -4.806 4.607 1.00 0.29 H new ATOM 0 HA LYS A 60 -9.596 -2.882 4.768 1.00 0.29 H new ATOM 0 HB2 LYS A 60 -11.971 -2.746 5.594 1.00 0.37 H new ATOM 0 HB3 LYS A 60 -11.560 -3.827 6.910 1.00 0.37 H new ATOM 0 HG2 LYS A 60 -10.162 -1.165 6.532 1.00 0.57 H new ATOM 0 HG3 LYS A 60 -11.669 -1.307 7.415 1.00 0.57 H new ATOM 0 HD2 LYS A 60 -10.577 -3.004 8.917 1.00 0.43 H new ATOM 0 HD3 LYS A 60 -9.065 -2.728 8.076 1.00 0.43 H new ATOM 0 HE2 LYS A 60 -10.669 -0.690 9.658 1.00 0.76 H new ATOM 0 HE3 LYS A 60 -9.118 -1.376 10.097 1.00 0.76 H new ATOM 0 HZ1 LYS A 60 -8.267 0.408 9.100 1.00 1.62 H new ATOM 0 HZ2 LYS A 60 -8.646 -0.346 7.626 1.00 1.62 H new ATOM 0 HZ3 LYS A 60 -9.717 0.787 8.301 1.00 1.62 H new ATOM 160 N LEU A 61 -9.200 -5.184 7.106 1.00 0.25 N ATOM 161 CA LEU A 61 -8.211 -5.762 7.983 1.00 0.25 C ATOM 162 C LEU A 61 -7.027 -6.316 7.220 1.00 0.26 C ATOM 163 O LEU A 61 -5.876 -6.118 7.610 1.00 0.30 O ATOM 164 CB LEU A 61 -8.831 -6.851 8.827 1.00 0.30 C ATOM 165 CG LEU A 61 -8.993 -6.470 10.286 1.00 0.36 C ATOM 166 CD1 LEU A 61 -7.705 -5.842 10.812 1.00 0.66 C ATOM 167 CD2 LEU A 61 -10.163 -5.515 10.449 1.00 0.63 C ATOM 0 H LEU A 61 -10.123 -5.615 7.164 1.00 0.25 H new ATOM 0 HA LEU A 61 -7.846 -4.963 8.628 1.00 0.25 H new ATOM 0 HB2 LEU A 61 -9.808 -7.106 8.416 1.00 0.30 H new ATOM 0 HB3 LEU A 61 -8.214 -7.747 8.760 1.00 0.30 H new ATOM 0 HG LEU A 61 -9.199 -7.369 10.867 1.00 0.36 H new ATOM 0 HD11 LEU A 61 -7.833 -5.573 11.860 1.00 0.66 H new ATOM 0 HD12 LEU A 61 -6.887 -6.557 10.718 1.00 0.66 H new ATOM 0 HD13 LEU A 61 -7.473 -4.948 10.233 1.00 0.66 H new ATOM 0 HD21 LEU A 61 -10.271 -5.248 11.500 1.00 0.63 H new ATOM 0 HD22 LEU A 61 -9.982 -4.614 9.862 1.00 0.63 H new ATOM 0 HD23 LEU A 61 -11.077 -5.997 10.102 1.00 0.63 H new ATOM 179 N GLU A 62 -7.319 -7.015 6.143 1.00 0.25 N ATOM 180 CA GLU A 62 -6.306 -7.593 5.322 1.00 0.29 C ATOM 181 C GLU A 62 -5.391 -6.524 4.758 1.00 0.23 C ATOM 182 O GLU A 62 -4.176 -6.644 4.829 1.00 0.20 O ATOM 183 CB GLU A 62 -6.945 -8.387 4.201 1.00 0.39 C ATOM 184 CG GLU A 62 -6.085 -9.549 3.821 1.00 0.63 C ATOM 185 CD GLU A 62 -6.638 -10.389 2.689 1.00 1.48 C ATOM 186 OE1 GLU A 62 -7.377 -11.356 2.969 1.00 1.98 O ATOM 187 OE2 GLU A 62 -6.308 -10.112 1.516 1.00 2.20 O ATOM 0 H GLU A 62 -8.271 -7.192 5.822 1.00 0.25 H new ATOM 0 HA GLU A 62 -5.702 -8.263 5.935 1.00 0.29 H new ATOM 0 HB2 GLU A 62 -7.927 -8.742 4.514 1.00 0.39 H new ATOM 0 HB3 GLU A 62 -7.099 -7.744 3.335 1.00 0.39 H new ATOM 0 HG2 GLU A 62 -5.100 -9.179 3.536 1.00 0.63 H new ATOM 0 HG3 GLU A 62 -5.946 -10.185 4.695 1.00 0.63 H new ATOM 194 N ASN A 63 -5.980 -5.466 4.231 1.00 0.22 N ATOM 195 CA ASN A 63 -5.227 -4.414 3.575 1.00 0.19 C ATOM 196 C ASN A 63 -4.404 -3.634 4.575 1.00 0.15 C ATOM 197 O ASN A 63 -3.242 -3.326 4.322 1.00 0.16 O ATOM 198 CB ASN A 63 -6.171 -3.477 2.835 1.00 0.21 C ATOM 199 CG ASN A 63 -6.810 -4.129 1.627 1.00 0.27 C ATOM 200 OD1 ASN A 63 -6.263 -5.062 1.050 1.00 0.33 O ATOM 201 ND2 ASN A 63 -7.967 -3.627 1.225 1.00 0.27 N ATOM 0 H ASN A 63 -6.988 -5.313 4.246 1.00 0.22 H new ATOM 0 HA ASN A 63 -4.548 -4.878 2.859 1.00 0.19 H new ATOM 0 HB2 ASN A 63 -6.952 -3.141 3.517 1.00 0.21 H new ATOM 0 HB3 ASN A 63 -5.622 -2.591 2.517 1.00 0.21 H new ATOM 0 HD21 ASN A 63 -8.436 -4.017 0.408 1.00 0.27 H new ATOM 0 HD22 ASN A 63 -8.390 -2.850 1.733 1.00 0.27 H new ATOM 208 N GLU A 64 -5.015 -3.312 5.704 1.00 0.15 N ATOM 209 CA GLU A 64 -4.321 -2.751 6.820 1.00 0.16 C ATOM 210 C GLU A 64 -3.092 -3.574 7.157 1.00 0.14 C ATOM 211 O GLU A 64 -1.969 -3.072 7.168 1.00 0.17 O ATOM 212 CB GLU A 64 -5.285 -2.738 7.967 1.00 0.21 C ATOM 213 CG GLU A 64 -6.083 -1.465 8.033 1.00 0.30 C ATOM 214 CD GLU A 64 -6.478 -0.865 6.701 1.00 1.20 C ATOM 215 OE1 GLU A 64 -5.608 -0.278 6.032 1.00 1.77 O ATOM 216 OE2 GLU A 64 -7.675 -0.904 6.366 1.00 1.75 O ATOM 0 H GLU A 64 -6.015 -3.439 5.859 1.00 0.15 H new ATOM 0 HA GLU A 64 -3.974 -1.743 6.595 1.00 0.16 H new ATOM 0 HB2 GLU A 64 -5.965 -3.585 7.876 1.00 0.21 H new ATOM 0 HB3 GLU A 64 -4.737 -2.868 8.900 1.00 0.21 H new ATOM 0 HG2 GLU A 64 -6.990 -1.656 8.607 1.00 0.30 H new ATOM 0 HG3 GLU A 64 -5.505 -0.725 8.587 1.00 0.30 H new ATOM 223 N LYS A 65 -3.328 -4.854 7.396 1.00 0.13 N ATOM 224 CA LYS A 65 -2.302 -5.788 7.740 1.00 0.14 C ATOM 225 C LYS A 65 -1.237 -5.873 6.655 1.00 0.12 C ATOM 226 O LYS A 65 -0.051 -5.747 6.936 1.00 0.14 O ATOM 227 CB LYS A 65 -2.965 -7.127 7.927 1.00 0.20 C ATOM 228 CG LYS A 65 -2.221 -8.061 8.836 1.00 0.44 C ATOM 229 CD LYS A 65 -1.065 -8.771 8.145 1.00 0.86 C ATOM 230 CE LYS A 65 -1.527 -9.620 6.962 1.00 1.32 C ATOM 231 NZ LYS A 65 -2.477 -10.690 7.365 1.00 1.93 N ATOM 0 H LYS A 65 -4.260 -5.267 7.352 1.00 0.13 H new ATOM 0 HA LYS A 65 -1.798 -5.467 8.652 1.00 0.14 H new ATOM 0 HB2 LYS A 65 -3.967 -6.971 8.326 1.00 0.20 H new ATOM 0 HB3 LYS A 65 -3.081 -7.602 6.953 1.00 0.20 H new ATOM 0 HG2 LYS A 65 -1.838 -7.500 9.689 1.00 0.44 H new ATOM 0 HG3 LYS A 65 -2.914 -8.805 9.229 1.00 0.44 H new ATOM 0 HD2 LYS A 65 -0.343 -8.032 7.798 1.00 0.86 H new ATOM 0 HD3 LYS A 65 -0.550 -9.406 8.865 1.00 0.86 H new ATOM 0 HE2 LYS A 65 -2.002 -8.977 6.221 1.00 1.32 H new ATOM 0 HE3 LYS A 65 -0.659 -10.072 6.482 1.00 1.32 H new ATOM 0 HZ1 LYS A 65 -2.681 -11.299 6.547 1.00 1.93 H new ATOM 0 HZ2 LYS A 65 -2.055 -11.261 8.125 1.00 1.93 H new ATOM 0 HZ3 LYS A 65 -3.361 -10.260 7.705 1.00 1.93 H new ATOM 245 N LEU A 66 -1.673 -6.100 5.421 1.00 0.11 N ATOM 246 CA LEU A 66 -0.766 -6.213 4.284 1.00 0.10 C ATOM 247 C LEU A 66 0.092 -4.966 4.167 1.00 0.08 C ATOM 248 O LEU A 66 1.292 -5.043 3.910 1.00 0.08 O ATOM 249 CB LEU A 66 -1.549 -6.420 2.990 1.00 0.10 C ATOM 250 CG LEU A 66 -2.298 -7.743 2.881 1.00 0.14 C ATOM 251 CD1 LEU A 66 -3.186 -7.740 1.652 1.00 0.18 C ATOM 252 CD2 LEU A 66 -1.322 -8.902 2.826 1.00 0.17 C ATOM 0 H LEU A 66 -2.658 -6.210 5.181 1.00 0.11 H new ATOM 0 HA LEU A 66 -0.122 -7.077 4.448 1.00 0.10 H new ATOM 0 HB2 LEU A 66 -2.267 -5.606 2.886 1.00 0.10 H new ATOM 0 HB3 LEU A 66 -0.857 -6.344 2.151 1.00 0.10 H new ATOM 0 HG LEU A 66 -2.924 -7.863 3.765 1.00 0.14 H new ATOM 0 HD11 LEU A 66 -3.716 -8.690 1.584 1.00 0.18 H new ATOM 0 HD12 LEU A 66 -3.907 -6.926 1.726 1.00 0.18 H new ATOM 0 HD13 LEU A 66 -2.574 -7.602 0.761 1.00 0.18 H new ATOM 0 HD21 LEU A 66 -1.874 -9.839 2.748 1.00 0.17 H new ATOM 0 HD22 LEU A 66 -0.673 -8.790 1.958 1.00 0.17 H new ATOM 0 HD23 LEU A 66 -0.717 -8.911 3.733 1.00 0.17 H new ATOM 264 N PHE A 67 -0.535 -3.814 4.368 1.00 0.07 N ATOM 265 CA PHE A 67 0.177 -2.559 4.376 1.00 0.06 C ATOM 266 C PHE A 67 1.274 -2.579 5.430 1.00 0.06 C ATOM 267 O PHE A 67 2.398 -2.178 5.162 1.00 0.07 O ATOM 268 CB PHE A 67 -0.776 -1.395 4.643 1.00 0.08 C ATOM 269 CG PHE A 67 -0.065 -0.082 4.655 1.00 0.08 C ATOM 270 CD1 PHE A 67 0.766 0.253 3.607 1.00 0.08 C ATOM 271 CD2 PHE A 67 -0.209 0.802 5.710 1.00 0.12 C ATOM 272 CE1 PHE A 67 1.450 1.454 3.603 1.00 0.08 C ATOM 273 CE2 PHE A 67 0.468 2.004 5.713 1.00 0.12 C ATOM 274 CZ PHE A 67 1.299 2.329 4.656 1.00 0.09 C ATOM 0 H PHE A 67 -1.539 -3.731 4.527 1.00 0.07 H new ATOM 0 HA PHE A 67 0.629 -2.421 3.394 1.00 0.06 H new ATOM 0 HB2 PHE A 67 -1.553 -1.380 3.879 1.00 0.08 H new ATOM 0 HB3 PHE A 67 -1.274 -1.546 5.601 1.00 0.08 H new ATOM 0 HD1 PHE A 67 0.884 -0.431 2.780 1.00 0.08 H new ATOM 0 HD2 PHE A 67 -0.856 0.549 6.537 1.00 0.12 H new ATOM 0 HE1 PHE A 67 2.100 1.705 2.778 1.00 0.08 H new ATOM 0 HE2 PHE A 67 0.349 2.690 6.539 1.00 0.12 H new ATOM 0 HZ PHE A 67 1.830 3.270 4.656 1.00 0.09 H new ATOM 284 N GLU A 68 0.938 -3.044 6.625 1.00 0.08 N ATOM 285 CA GLU A 68 1.915 -3.164 7.703 1.00 0.09 C ATOM 286 C GLU A 68 3.002 -4.142 7.319 1.00 0.10 C ATOM 287 O GLU A 68 4.177 -3.890 7.559 1.00 0.12 O ATOM 288 CB GLU A 68 1.261 -3.657 8.990 1.00 0.14 C ATOM 289 CG GLU A 68 0.006 -2.913 9.355 1.00 0.21 C ATOM 290 CD GLU A 68 -0.512 -3.291 10.723 1.00 0.87 C ATOM 291 OE1 GLU A 68 0.066 -2.829 11.732 1.00 1.19 O ATOM 292 OE2 GLU A 68 -1.502 -4.041 10.800 1.00 1.47 O ATOM 0 H GLU A 68 -0.004 -3.345 6.875 1.00 0.08 H new ATOM 0 HA GLU A 68 2.338 -2.173 7.869 1.00 0.09 H new ATOM 0 HB2 GLU A 68 1.027 -4.716 8.885 1.00 0.14 H new ATOM 0 HB3 GLU A 68 1.976 -3.568 9.808 1.00 0.14 H new ATOM 0 HG2 GLU A 68 0.202 -1.841 9.327 1.00 0.21 H new ATOM 0 HG3 GLU A 68 -0.763 -3.116 8.610 1.00 0.21 H new ATOM 299 N GLU A 69 2.601 -5.250 6.713 1.00 0.10 N ATOM 300 CA GLU A 69 3.548 -6.276 6.292 1.00 0.12 C ATOM 301 C GLU A 69 4.574 -5.665 5.361 1.00 0.11 C ATOM 302 O GLU A 69 5.761 -5.971 5.428 1.00 0.14 O ATOM 303 CB GLU A 69 2.854 -7.418 5.552 1.00 0.15 C ATOM 304 CG GLU A 69 1.785 -8.142 6.327 1.00 0.25 C ATOM 305 CD GLU A 69 1.823 -9.633 6.087 1.00 0.81 C ATOM 306 OE1 GLU A 69 1.164 -10.104 5.141 1.00 1.34 O ATOM 307 OE2 GLU A 69 2.522 -10.341 6.841 1.00 1.21 O ATOM 0 H GLU A 69 1.626 -5.463 6.501 1.00 0.10 H new ATOM 0 HA GLU A 69 4.020 -6.674 7.190 1.00 0.12 H new ATOM 0 HB2 GLU A 69 2.409 -7.019 4.640 1.00 0.15 H new ATOM 0 HB3 GLU A 69 3.610 -8.142 5.247 1.00 0.15 H new ATOM 0 HG2 GLU A 69 1.911 -7.943 7.391 1.00 0.25 H new ATOM 0 HG3 GLU A 69 0.806 -7.754 6.044 1.00 0.25 H new ATOM 314 N PHE A 70 4.087 -4.788 4.501 1.00 0.09 N ATOM 315 CA PHE A 70 4.894 -4.147 3.509 1.00 0.09 C ATOM 316 C PHE A 70 5.666 -2.995 4.149 1.00 0.08 C ATOM 317 O PHE A 70 6.826 -2.757 3.830 1.00 0.10 O ATOM 318 CB PHE A 70 3.980 -3.670 2.382 1.00 0.09 C ATOM 319 CG PHE A 70 4.695 -3.067 1.225 1.00 0.09 C ATOM 320 CD1 PHE A 70 5.100 -1.762 1.291 1.00 0.12 C ATOM 321 CD2 PHE A 70 4.952 -3.798 0.079 1.00 0.11 C ATOM 322 CE1 PHE A 70 5.756 -1.175 0.238 1.00 0.14 C ATOM 323 CE2 PHE A 70 5.612 -3.219 -0.986 1.00 0.13 C ATOM 324 CZ PHE A 70 6.017 -1.902 -0.905 1.00 0.13 C ATOM 0 H PHE A 70 3.107 -4.506 4.482 1.00 0.09 H new ATOM 0 HA PHE A 70 5.627 -4.837 3.091 1.00 0.09 H new ATOM 0 HB2 PHE A 70 3.389 -4.514 2.028 1.00 0.09 H new ATOM 0 HB3 PHE A 70 3.280 -2.937 2.784 1.00 0.09 H new ATOM 0 HD1 PHE A 70 4.901 -1.186 2.183 1.00 0.12 H new ATOM 0 HD2 PHE A 70 4.634 -4.828 0.017 1.00 0.11 H new ATOM 0 HE1 PHE A 70 6.068 -0.143 0.304 1.00 0.14 H new ATOM 0 HE2 PHE A 70 5.811 -3.794 -1.879 1.00 0.13 H new ATOM 0 HZ PHE A 70 6.536 -1.442 -1.733 1.00 0.13 H new ATOM 334 N LEU A 71 4.999 -2.280 5.049 1.00 0.07 N ATOM 335 CA LEU A 71 5.609 -1.197 5.795 1.00 0.08 C ATOM 336 C LEU A 71 6.795 -1.665 6.632 1.00 0.08 C ATOM 337 O LEU A 71 7.902 -1.143 6.504 1.00 0.09 O ATOM 338 CB LEU A 71 4.573 -0.515 6.679 1.00 0.09 C ATOM 339 CG LEU A 71 4.030 0.785 6.100 1.00 0.10 C ATOM 340 CD1 LEU A 71 3.557 1.720 7.182 1.00 0.12 C ATOM 341 CD2 LEU A 71 5.090 1.458 5.279 1.00 0.10 C ATOM 0 H LEU A 71 4.018 -2.440 5.279 1.00 0.07 H new ATOM 0 HA LEU A 71 5.991 -0.480 5.068 1.00 0.08 H new ATOM 0 HB2 LEU A 71 3.743 -1.202 6.846 1.00 0.09 H new ATOM 0 HB3 LEU A 71 5.018 -0.310 7.653 1.00 0.09 H new ATOM 0 HG LEU A 71 3.175 0.539 5.471 1.00 0.10 H new ATOM 0 HD11 LEU A 71 3.177 2.636 6.730 1.00 0.12 H new ATOM 0 HD12 LEU A 71 2.763 1.241 7.755 1.00 0.12 H new ATOM 0 HD13 LEU A 71 4.389 1.960 7.845 1.00 0.12 H new ATOM 0 HD21 LEU A 71 4.696 2.387 4.867 1.00 0.10 H new ATOM 0 HD22 LEU A 71 5.953 1.677 5.908 1.00 0.10 H new ATOM 0 HD23 LEU A 71 5.392 0.800 4.464 1.00 0.10 H new ATOM 353 N GLU A 72 6.547 -2.638 7.496 1.00 0.08 N ATOM 354 CA GLU A 72 7.608 -3.257 8.296 1.00 0.11 C ATOM 355 C GLU A 72 8.692 -3.785 7.383 1.00 0.09 C ATOM 356 O GLU A 72 9.882 -3.609 7.639 1.00 0.12 O ATOM 357 CB GLU A 72 7.058 -4.401 9.135 1.00 0.19 C ATOM 358 CG GLU A 72 5.933 -3.965 10.032 1.00 0.26 C ATOM 359 CD GLU A 72 6.389 -3.026 11.130 1.00 0.59 C ATOM 360 OE1 GLU A 72 7.004 -3.495 12.108 1.00 0.89 O ATOM 361 OE2 GLU A 72 6.134 -1.806 11.015 1.00 1.13 O ATOM 0 H GLU A 72 5.617 -3.022 7.666 1.00 0.08 H new ATOM 0 HA GLU A 72 8.019 -2.500 8.963 1.00 0.11 H new ATOM 0 HB2 GLU A 72 6.707 -5.195 8.476 1.00 0.19 H new ATOM 0 HB3 GLU A 72 7.860 -4.822 9.741 1.00 0.19 H new ATOM 0 HG2 GLU A 72 5.167 -3.472 9.433 1.00 0.26 H new ATOM 0 HG3 GLU A 72 5.470 -4.844 10.481 1.00 0.26 H new ATOM 368 N LEU A 73 8.251 -4.437 6.318 1.00 0.10 N ATOM 369 CA LEU A 73 9.143 -4.890 5.255 1.00 0.11 C ATOM 370 C LEU A 73 10.052 -3.761 4.809 1.00 0.10 C ATOM 371 O LEU A 73 11.265 -3.911 4.792 1.00 0.12 O ATOM 372 CB LEU A 73 8.327 -5.388 4.060 1.00 0.14 C ATOM 373 CG LEU A 73 9.140 -5.871 2.863 1.00 0.20 C ATOM 374 CD1 LEU A 73 9.689 -7.261 3.112 1.00 0.49 C ATOM 375 CD2 LEU A 73 8.296 -5.846 1.601 1.00 0.46 C ATOM 0 H LEU A 73 7.269 -4.668 6.164 1.00 0.10 H new ATOM 0 HA LEU A 73 9.753 -5.706 5.643 1.00 0.11 H new ATOM 0 HB2 LEU A 73 7.687 -6.204 4.395 1.00 0.14 H new ATOM 0 HB3 LEU A 73 7.671 -4.583 3.730 1.00 0.14 H new ATOM 0 HG LEU A 73 9.983 -5.193 2.726 1.00 0.20 H new ATOM 0 HD11 LEU A 73 10.265 -7.585 2.245 1.00 0.49 H new ATOM 0 HD12 LEU A 73 10.333 -7.246 3.991 1.00 0.49 H new ATOM 0 HD13 LEU A 73 8.864 -7.954 3.279 1.00 0.49 H new ATOM 0 HD21 LEU A 73 8.892 -6.194 0.757 1.00 0.46 H new ATOM 0 HD22 LEU A 73 7.432 -6.498 1.728 1.00 0.46 H new ATOM 0 HD23 LEU A 73 7.957 -4.828 1.410 1.00 0.46 H new ATOM 387 N CYS A 74 9.464 -2.623 4.483 1.00 0.09 N ATOM 388 CA CYS A 74 10.242 -1.478 4.037 1.00 0.10 C ATOM 389 C CYS A 74 11.224 -1.048 5.116 1.00 0.11 C ATOM 390 O CYS A 74 12.382 -0.798 4.826 1.00 0.14 O ATOM 391 CB CYS A 74 9.335 -0.317 3.639 1.00 0.10 C ATOM 392 SG CYS A 74 8.261 -0.692 2.242 1.00 0.11 S ATOM 0 H CYS A 74 8.457 -2.466 4.518 1.00 0.09 H new ATOM 0 HA CYS A 74 10.807 -1.777 3.154 1.00 0.10 H new ATOM 0 HB2 CYS A 74 8.721 -0.036 4.494 1.00 0.10 H new ATOM 0 HB3 CYS A 74 9.951 0.547 3.392 1.00 0.10 H new ATOM 0 HG CYS A 74 7.385 -1.585 2.596 1.00 0.11 H new ATOM 398 N LYS A 75 10.793 -1.038 6.375 1.00 0.11 N ATOM 399 CA LYS A 75 11.683 -0.686 7.475 1.00 0.12 C ATOM 400 C LYS A 75 12.877 -1.637 7.522 1.00 0.13 C ATOM 401 O LYS A 75 13.908 -1.335 8.120 1.00 0.16 O ATOM 402 CB LYS A 75 10.926 -0.750 8.794 1.00 0.13 C ATOM 403 CG LYS A 75 9.789 0.230 8.897 1.00 0.18 C ATOM 404 CD LYS A 75 8.979 -0.041 10.140 1.00 0.20 C ATOM 405 CE LYS A 75 7.808 0.904 10.251 1.00 0.30 C ATOM 406 NZ LYS A 75 7.000 0.645 11.470 1.00 0.32 N ATOM 0 H LYS A 75 9.840 -1.268 6.656 1.00 0.11 H new ATOM 0 HA LYS A 75 12.048 0.329 7.315 1.00 0.12 H new ATOM 0 HB2 LYS A 75 10.535 -1.759 8.928 1.00 0.13 H new ATOM 0 HB3 LYS A 75 11.624 -0.567 9.611 1.00 0.13 H new ATOM 0 HG2 LYS A 75 10.178 1.248 8.922 1.00 0.18 H new ATOM 0 HG3 LYS A 75 9.152 0.154 8.015 1.00 0.18 H new ATOM 0 HD2 LYS A 75 8.618 -1.069 10.124 1.00 0.20 H new ATOM 0 HD3 LYS A 75 9.615 0.060 11.020 1.00 0.20 H new ATOM 0 HE2 LYS A 75 8.171 1.932 10.268 1.00 0.30 H new ATOM 0 HE3 LYS A 75 7.176 0.804 9.369 1.00 0.30 H new ATOM 0 HZ1 LYS A 75 6.076 1.113 11.380 1.00 0.32 H new ATOM 0 HZ2 LYS A 75 6.860 -0.379 11.583 1.00 0.32 H new ATOM 0 HZ3 LYS A 75 7.498 1.020 12.303 1.00 0.32 H new ATOM 420 N MET A 76 12.723 -2.788 6.879 1.00 0.12 N ATOM 421 CA MET A 76 13.770 -3.788 6.820 1.00 0.13 C ATOM 422 C MET A 76 14.705 -3.547 5.636 1.00 0.14 C ATOM 423 O MET A 76 15.919 -3.689 5.766 1.00 0.16 O ATOM 424 CB MET A 76 13.150 -5.186 6.735 1.00 0.14 C ATOM 425 CG MET A 76 12.366 -5.569 7.977 1.00 0.15 C ATOM 426 SD MET A 76 11.994 -7.333 8.058 1.00 0.21 S ATOM 427 CE MET A 76 10.785 -7.483 6.749 1.00 0.40 C ATOM 0 H MET A 76 11.869 -3.050 6.386 1.00 0.12 H new ATOM 0 HA MET A 76 14.364 -3.713 7.731 1.00 0.13 H new ATOM 0 HB2 MET A 76 12.490 -5.232 5.868 1.00 0.14 H new ATOM 0 HB3 MET A 76 13.941 -5.918 6.572 1.00 0.14 H new ATOM 0 HG2 MET A 76 12.934 -5.282 8.862 1.00 0.15 H new ATOM 0 HG3 MET A 76 11.434 -5.005 8.000 1.00 0.15 H new ATOM 0 HE1 MET A 76 10.654 -8.534 6.493 1.00 0.40 H new ATOM 0 HE2 MET A 76 9.833 -7.070 7.084 1.00 0.40 H new ATOM 0 HE3 MET A 76 11.129 -6.936 5.871 1.00 0.40 H new ATOM 437 N GLN A 77 14.149 -3.170 4.486 1.00 0.14 N ATOM 438 CA GLN A 77 14.935 -3.066 3.263 1.00 0.15 C ATOM 439 C GLN A 77 15.173 -1.623 2.785 1.00 0.16 C ATOM 440 O GLN A 77 16.021 -1.392 1.924 1.00 0.22 O ATOM 441 CB GLN A 77 14.259 -3.871 2.153 1.00 0.19 C ATOM 442 CG GLN A 77 12.858 -4.357 2.478 1.00 0.21 C ATOM 443 CD GLN A 77 12.639 -5.797 2.087 1.00 0.38 C ATOM 444 OE1 GLN A 77 12.260 -6.105 0.960 1.00 0.83 O ATOM 445 NE2 GLN A 77 12.853 -6.689 3.033 1.00 0.25 N ATOM 0 H GLN A 77 13.163 -2.933 4.378 1.00 0.14 H new ATOM 0 HA GLN A 77 15.919 -3.471 3.498 1.00 0.15 H new ATOM 0 HB2 GLN A 77 14.215 -3.257 1.254 1.00 0.19 H new ATOM 0 HB3 GLN A 77 14.882 -4.734 1.919 1.00 0.19 H new ATOM 0 HG2 GLN A 77 12.676 -4.243 3.547 1.00 0.21 H new ATOM 0 HG3 GLN A 77 12.131 -3.730 1.962 1.00 0.21 H new ATOM 0 HE21 GLN A 77 13.168 -6.389 3.956 1.00 0.25 H new ATOM 0 HE22 GLN A 77 12.704 -7.680 2.843 1.00 0.25 H new ATOM 454 N THR A 78 14.453 -0.652 3.327 1.00 0.17 N ATOM 455 CA THR A 78 14.593 0.725 2.865 1.00 0.22 C ATOM 456 C THR A 78 15.360 1.558 3.873 1.00 0.30 C ATOM 457 O THR A 78 14.965 2.677 4.180 1.00 0.32 O ATOM 458 CB THR A 78 13.237 1.425 2.590 1.00 0.17 C ATOM 459 OG1 THR A 78 12.488 1.588 3.798 1.00 0.14 O ATOM 460 CG2 THR A 78 12.404 0.650 1.590 1.00 0.22 C ATOM 0 H THR A 78 13.775 -0.786 4.077 1.00 0.17 H new ATOM 0 HA THR A 78 15.137 0.658 1.923 1.00 0.22 H new ATOM 0 HB THR A 78 13.467 2.405 2.173 1.00 0.17 H new ATOM 0 HG1 THR A 78 12.701 0.858 4.416 1.00 0.14 H new ATOM 0 HG21 THR A 78 11.461 1.170 1.422 1.00 0.22 H new ATOM 0 HG22 THR A 78 12.947 0.570 0.648 1.00 0.22 H new ATOM 0 HG23 THR A 78 12.204 -0.348 1.979 1.00 0.22 H new ATOM 468 N ALA A 79 16.442 1.010 4.404 1.00 0.38 N ATOM 469 CA ALA A 79 17.308 1.747 5.315 1.00 0.50 C ATOM 470 C ALA A 79 17.694 3.106 4.757 1.00 0.52 C ATOM 471 O ALA A 79 17.757 4.098 5.483 1.00 0.55 O ATOM 472 CB ALA A 79 18.560 0.944 5.566 1.00 0.67 C ATOM 0 H ALA A 79 16.743 0.053 4.219 1.00 0.38 H new ATOM 0 HA ALA A 79 16.758 1.908 6.242 1.00 0.50 H new ATOM 0 HB1 ALA A 79 19.212 1.490 6.247 1.00 0.67 H new ATOM 0 HB2 ALA A 79 18.294 -0.015 6.010 1.00 0.67 H new ATOM 0 HB3 ALA A 79 19.080 0.776 4.623 1.00 0.67 H new ATOM 478 N ASP A 80 17.957 3.136 3.458 1.00 0.53 N ATOM 479 CA ASP A 80 18.392 4.330 2.783 1.00 0.57 C ATOM 480 C ASP A 80 17.235 5.304 2.600 1.00 0.52 C ATOM 481 O ASP A 80 17.431 6.490 2.338 1.00 0.57 O ATOM 482 CB ASP A 80 18.960 3.944 1.426 1.00 0.65 C ATOM 483 CG ASP A 80 19.996 2.837 1.495 1.00 1.21 C ATOM 484 OD1 ASP A 80 21.147 3.113 1.888 1.00 1.94 O ATOM 485 OD2 ASP A 80 19.667 1.685 1.136 1.00 1.46 O ATOM 0 H ASP A 80 17.871 2.323 2.848 1.00 0.53 H new ATOM 0 HA ASP A 80 19.155 4.823 3.385 1.00 0.57 H new ATOM 0 HB2 ASP A 80 18.144 3.627 0.777 1.00 0.65 H new ATOM 0 HB3 ASP A 80 19.410 4.824 0.966 1.00 0.65 H new ATOM 490 N HIS A 81 16.030 4.785 2.735 1.00 0.43 N ATOM 491 CA HIS A 81 14.823 5.593 2.613 1.00 0.38 C ATOM 492 C HIS A 81 13.849 5.304 3.742 1.00 0.29 C ATOM 493 O HIS A 81 12.772 4.760 3.517 1.00 0.23 O ATOM 494 CB HIS A 81 14.137 5.361 1.262 1.00 0.41 C ATOM 495 CG HIS A 81 14.784 6.104 0.128 1.00 0.61 C ATOM 496 ND1 HIS A 81 14.469 7.410 -0.192 1.00 0.99 N ATOM 497 CD2 HIS A 81 15.746 5.727 -0.750 1.00 0.70 C ATOM 498 CE1 HIS A 81 15.207 7.800 -1.214 1.00 1.08 C ATOM 499 NE2 HIS A 81 15.988 6.800 -1.570 1.00 0.86 N ATOM 0 H HIS A 81 15.856 3.799 2.931 1.00 0.43 H new ATOM 0 HA HIS A 81 15.127 6.638 2.676 1.00 0.38 H new ATOM 0 HB2 HIS A 81 14.144 4.294 1.038 1.00 0.41 H new ATOM 0 HB3 HIS A 81 13.093 5.665 1.336 1.00 0.41 H new ATOM 0 HD2 HIS A 81 16.231 4.763 -0.795 1.00 0.70 H new ATOM 0 HE1 HIS A 81 15.176 8.774 -1.680 1.00 1.08 H new ATOM 0 HE2 HIS A 81 16.664 6.820 -2.333 1.00 0.86 H new ATOM 508 N PRO A 82 14.208 5.683 4.977 1.00 0.32 N ATOM 509 CA PRO A 82 13.337 5.498 6.138 1.00 0.29 C ATOM 510 C PRO A 82 12.102 6.387 6.048 1.00 0.26 C ATOM 511 O PRO A 82 11.123 6.194 6.762 1.00 0.29 O ATOM 512 CB PRO A 82 14.216 5.904 7.317 1.00 0.38 C ATOM 513 CG PRO A 82 15.266 6.788 6.745 1.00 0.44 C ATOM 514 CD PRO A 82 15.485 6.320 5.341 1.00 0.41 C ATOM 0 HA PRO A 82 12.960 4.479 6.221 1.00 0.29 H new ATOM 0 HB2 PRO A 82 13.635 6.426 8.078 1.00 0.38 H new ATOM 0 HB3 PRO A 82 14.657 5.030 7.797 1.00 0.38 H new ATOM 0 HG2 PRO A 82 14.949 7.831 6.763 1.00 0.44 H new ATOM 0 HG3 PRO A 82 16.187 6.724 7.325 1.00 0.44 H new ATOM 0 HD2 PRO A 82 15.721 7.150 4.675 1.00 0.41 H new ATOM 0 HD3 PRO A 82 16.315 5.616 5.279 1.00 0.41 H new ATOM 522 N GLU A 83 12.173 7.349 5.140 1.00 0.23 N ATOM 523 CA GLU A 83 11.076 8.263 4.848 1.00 0.21 C ATOM 524 C GLU A 83 9.977 7.555 4.064 1.00 0.17 C ATOM 525 O GLU A 83 8.836 8.008 4.010 1.00 0.18 O ATOM 526 CB GLU A 83 11.609 9.418 4.014 1.00 0.28 C ATOM 527 CG GLU A 83 12.181 8.924 2.712 1.00 0.46 C ATOM 528 CD GLU A 83 13.047 9.934 1.999 1.00 0.55 C ATOM 529 OE1 GLU A 83 14.247 10.012 2.314 1.00 0.95 O ATOM 530 OE2 GLU A 83 12.540 10.634 1.102 1.00 1.01 O ATOM 0 H GLU A 83 13.006 7.520 4.577 1.00 0.23 H new ATOM 0 HA GLU A 83 10.659 8.625 5.788 1.00 0.21 H new ATOM 0 HB2 GLU A 83 10.807 10.129 3.816 1.00 0.28 H new ATOM 0 HB3 GLU A 83 12.377 9.951 4.574 1.00 0.28 H new ATOM 0 HG2 GLU A 83 12.769 8.027 2.903 1.00 0.46 H new ATOM 0 HG3 GLU A 83 11.362 8.634 2.054 1.00 0.46 H new ATOM 537 N VAL A 84 10.348 6.442 3.453 1.00 0.15 N ATOM 538 CA VAL A 84 9.463 5.693 2.589 1.00 0.14 C ATOM 539 C VAL A 84 8.272 5.150 3.357 1.00 0.11 C ATOM 540 O VAL A 84 7.160 5.128 2.849 1.00 0.11 O ATOM 541 CB VAL A 84 10.258 4.575 1.881 1.00 0.15 C ATOM 542 CG1 VAL A 84 9.454 3.315 1.717 1.00 0.16 C ATOM 543 CG2 VAL A 84 10.756 5.071 0.537 1.00 0.21 C ATOM 0 H VAL A 84 11.278 6.034 3.546 1.00 0.15 H new ATOM 0 HA VAL A 84 9.059 6.359 1.827 1.00 0.14 H new ATOM 0 HB VAL A 84 11.109 4.323 2.514 1.00 0.15 H new ATOM 0 HG11 VAL A 84 10.059 2.560 1.214 1.00 0.16 H new ATOM 0 HG12 VAL A 84 9.154 2.945 2.697 1.00 0.16 H new ATOM 0 HG13 VAL A 84 8.566 3.525 1.121 1.00 0.16 H new ATOM 0 HG21 VAL A 84 11.316 4.278 0.041 1.00 0.21 H new ATOM 0 HG22 VAL A 84 9.906 5.357 -0.083 1.00 0.21 H new ATOM 0 HG23 VAL A 84 11.404 5.935 0.685 1.00 0.21 H new ATOM 553 N VAL A 85 8.509 4.742 4.585 1.00 0.09 N ATOM 554 CA VAL A 85 7.445 4.272 5.442 1.00 0.09 C ATOM 555 C VAL A 85 6.452 5.384 5.789 1.00 0.10 C ATOM 556 O VAL A 85 5.265 5.221 5.571 1.00 0.10 O ATOM 557 CB VAL A 85 8.018 3.636 6.706 1.00 0.10 C ATOM 558 CG1 VAL A 85 6.924 3.403 7.720 1.00 0.13 C ATOM 559 CG2 VAL A 85 8.738 2.351 6.336 1.00 0.11 C ATOM 0 H VAL A 85 9.435 4.727 5.013 1.00 0.09 H new ATOM 0 HA VAL A 85 6.891 3.512 4.890 1.00 0.09 H new ATOM 0 HB VAL A 85 8.740 4.310 7.167 1.00 0.10 H new ATOM 0 HG11 VAL A 85 7.349 2.949 8.615 1.00 0.13 H new ATOM 0 HG12 VAL A 85 6.461 4.355 7.980 1.00 0.13 H new ATOM 0 HG13 VAL A 85 6.172 2.737 7.297 1.00 0.13 H new ATOM 0 HG21 VAL A 85 9.149 1.893 7.235 1.00 0.11 H new ATOM 0 HG22 VAL A 85 8.035 1.663 5.866 1.00 0.11 H new ATOM 0 HG23 VAL A 85 9.547 2.574 5.640 1.00 0.11 H new ATOM 569 N PRO A 86 6.909 6.513 6.347 1.00 0.12 N ATOM 570 CA PRO A 86 6.061 7.688 6.548 1.00 0.14 C ATOM 571 C PRO A 86 5.336 8.110 5.269 1.00 0.14 C ATOM 572 O PRO A 86 4.176 8.506 5.310 1.00 0.18 O ATOM 573 CB PRO A 86 7.016 8.793 6.983 1.00 0.18 C ATOM 574 CG PRO A 86 8.353 8.162 7.184 1.00 0.18 C ATOM 575 CD PRO A 86 8.252 6.697 6.880 1.00 0.14 C ATOM 0 HA PRO A 86 5.282 7.477 7.280 1.00 0.14 H new ATOM 0 HB2 PRO A 86 7.069 9.576 6.227 1.00 0.18 H new ATOM 0 HB3 PRO A 86 6.669 9.262 7.904 1.00 0.18 H new ATOM 0 HG2 PRO A 86 9.092 8.631 6.535 1.00 0.18 H new ATOM 0 HG3 PRO A 86 8.689 8.311 8.210 1.00 0.18 H new ATOM 0 HD2 PRO A 86 9.008 6.391 6.157 1.00 0.14 H new ATOM 0 HD3 PRO A 86 8.406 6.097 7.777 1.00 0.14 H new ATOM 583 N PHE A 87 6.029 8.001 4.137 1.00 0.13 N ATOM 584 CA PHE A 87 5.483 8.345 2.829 1.00 0.14 C ATOM 585 C PHE A 87 4.421 7.326 2.441 1.00 0.12 C ATOM 586 O PHE A 87 3.393 7.659 1.847 1.00 0.12 O ATOM 587 CB PHE A 87 6.633 8.342 1.809 1.00 0.18 C ATOM 588 CG PHE A 87 6.332 8.959 0.477 1.00 0.35 C ATOM 589 CD1 PHE A 87 5.063 9.387 0.165 1.00 0.35 C ATOM 590 CD2 PHE A 87 7.340 9.119 -0.459 1.00 0.85 C ATOM 591 CE1 PHE A 87 4.792 9.965 -1.055 1.00 0.43 C ATOM 592 CE2 PHE A 87 7.078 9.694 -1.686 1.00 1.01 C ATOM 593 CZ PHE A 87 5.800 10.120 -1.984 1.00 0.69 C ATOM 0 H PHE A 87 6.993 7.669 4.103 1.00 0.13 H new ATOM 0 HA PHE A 87 5.021 9.332 2.853 1.00 0.14 H new ATOM 0 HB2 PHE A 87 7.482 8.867 2.247 1.00 0.18 H new ATOM 0 HB3 PHE A 87 6.946 7.310 1.647 1.00 0.18 H new ATOM 0 HD1 PHE A 87 4.268 9.268 0.887 1.00 0.35 H new ATOM 0 HD2 PHE A 87 8.342 8.790 -0.226 1.00 0.85 H new ATOM 0 HE1 PHE A 87 3.790 10.297 -1.285 1.00 0.43 H new ATOM 0 HE2 PHE A 87 7.871 9.810 -2.410 1.00 1.01 H new ATOM 0 HZ PHE A 87 5.589 10.573 -2.941 1.00 0.69 H new ATOM 603 N LEU A 88 4.657 6.098 2.861 1.00 0.10 N ATOM 604 CA LEU A 88 3.767 5.000 2.582 1.00 0.09 C ATOM 605 C LEU A 88 2.556 5.145 3.453 1.00 0.08 C ATOM 606 O LEU A 88 1.411 5.061 3.006 1.00 0.09 O ATOM 607 CB LEU A 88 4.459 3.691 2.928 1.00 0.09 C ATOM 608 CG LEU A 88 4.991 2.893 1.757 1.00 0.10 C ATOM 609 CD1 LEU A 88 5.809 1.726 2.260 1.00 0.11 C ATOM 610 CD2 LEU A 88 3.849 2.394 0.905 1.00 0.10 C ATOM 0 H LEU A 88 5.478 5.838 3.408 1.00 0.10 H new ATOM 0 HA LEU A 88 3.489 5.002 1.528 1.00 0.09 H new ATOM 0 HB2 LEU A 88 5.288 3.908 3.601 1.00 0.09 H new ATOM 0 HB3 LEU A 88 3.756 3.066 3.479 1.00 0.09 H new ATOM 0 HG LEU A 88 5.626 3.538 1.150 1.00 0.10 H new ATOM 0 HD11 LEU A 88 6.189 1.156 1.412 1.00 0.11 H new ATOM 0 HD12 LEU A 88 6.646 2.097 2.852 1.00 0.11 H new ATOM 0 HD13 LEU A 88 5.183 1.083 2.879 1.00 0.11 H new ATOM 0 HD21 LEU A 88 4.244 1.821 0.066 1.00 0.10 H new ATOM 0 HD22 LEU A 88 3.199 1.757 1.505 1.00 0.10 H new ATOM 0 HD23 LEU A 88 3.278 3.243 0.528 1.00 0.10 H new ATOM 622 N TYR A 89 2.853 5.381 4.718 1.00 0.08 N ATOM 623 CA TYR A 89 1.869 5.545 5.739 1.00 0.09 C ATOM 624 C TYR A 89 0.944 6.684 5.370 1.00 0.09 C ATOM 625 O TYR A 89 -0.261 6.535 5.356 1.00 0.11 O ATOM 626 CB TYR A 89 2.580 5.879 7.050 1.00 0.10 C ATOM 627 CG TYR A 89 2.285 4.924 8.158 1.00 0.13 C ATOM 628 CD1 TYR A 89 1.002 4.489 8.356 1.00 0.14 C ATOM 629 CD2 TYR A 89 3.280 4.473 9.007 1.00 0.16 C ATOM 630 CE1 TYR A 89 0.690 3.625 9.371 1.00 0.19 C ATOM 631 CE2 TYR A 89 2.992 3.603 10.030 1.00 0.20 C ATOM 632 CZ TYR A 89 1.691 3.177 10.215 1.00 0.22 C ATOM 633 OH TYR A 89 1.390 2.307 11.242 1.00 0.27 O ATOM 0 H TYR A 89 3.811 5.463 5.058 1.00 0.08 H new ATOM 0 HA TYR A 89 1.288 4.629 5.847 1.00 0.09 H new ATOM 0 HB2 TYR A 89 3.656 5.896 6.875 1.00 0.10 H new ATOM 0 HB3 TYR A 89 2.292 6.883 7.362 1.00 0.10 H new ATOM 0 HD1 TYR A 89 0.219 4.835 7.697 1.00 0.14 H new ATOM 0 HD2 TYR A 89 4.296 4.809 8.863 1.00 0.16 H new ATOM 0 HE1 TYR A 89 -0.329 3.296 9.512 1.00 0.19 H new ATOM 0 HE2 TYR A 89 3.777 3.255 10.685 1.00 0.20 H new ATOM 0 HH TYR A 89 2.207 2.091 11.738 1.00 0.27 H new ATOM 643 N ASN A 90 1.557 7.806 5.034 1.00 0.09 N ATOM 644 CA ASN A 90 0.869 9.007 4.601 1.00 0.09 C ATOM 645 C ASN A 90 -0.065 8.716 3.450 1.00 0.09 C ATOM 646 O ASN A 90 -1.251 9.022 3.513 1.00 0.10 O ATOM 647 CB ASN A 90 1.938 10.012 4.191 1.00 0.11 C ATOM 648 CG ASN A 90 1.450 11.124 3.308 1.00 0.24 C ATOM 649 OD1 ASN A 90 0.776 12.052 3.748 1.00 0.43 O ATOM 650 ND2 ASN A 90 1.843 11.052 2.053 1.00 0.40 N ATOM 0 H ASN A 90 2.572 7.908 5.056 1.00 0.09 H new ATOM 0 HA ASN A 90 0.254 9.405 5.408 1.00 0.09 H new ATOM 0 HB2 ASN A 90 2.373 10.446 5.091 1.00 0.11 H new ATOM 0 HB3 ASN A 90 2.737 9.481 3.674 1.00 0.11 H new ATOM 0 HD21 ASN A 90 1.588 11.789 1.396 1.00 0.40 H new ATOM 0 HD22 ASN A 90 2.402 10.259 1.738 1.00 0.40 H new ATOM 657 N ARG A 91 0.479 8.109 2.412 1.00 0.08 N ATOM 658 CA ARG A 91 -0.299 7.720 1.252 1.00 0.10 C ATOM 659 C ARG A 91 -1.515 6.904 1.666 1.00 0.09 C ATOM 660 O ARG A 91 -2.633 7.185 1.247 1.00 0.11 O ATOM 661 CB ARG A 91 0.562 6.899 0.291 1.00 0.13 C ATOM 662 CG ARG A 91 1.449 7.725 -0.615 1.00 0.16 C ATOM 663 CD ARG A 91 0.612 8.626 -1.495 1.00 0.29 C ATOM 664 NE ARG A 91 1.420 9.338 -2.484 1.00 0.88 N ATOM 665 CZ ARG A 91 1.819 10.600 -2.360 1.00 1.05 C ATOM 666 NH1 ARG A 91 1.587 11.264 -1.238 1.00 1.35 N ATOM 667 NH2 ARG A 91 2.490 11.183 -3.345 1.00 1.64 N ATOM 0 H ARG A 91 1.469 7.873 2.350 1.00 0.08 H new ATOM 0 HA ARG A 91 -0.638 8.627 0.752 1.00 0.10 H new ATOM 0 HB2 ARG A 91 1.187 6.221 0.872 1.00 0.13 H new ATOM 0 HB3 ARG A 91 -0.091 6.281 -0.325 1.00 0.13 H new ATOM 0 HG2 ARG A 91 2.133 8.325 -0.015 1.00 0.16 H new ATOM 0 HG3 ARG A 91 2.060 7.068 -1.234 1.00 0.16 H new ATOM 0 HD2 ARG A 91 -0.144 8.031 -2.007 1.00 0.29 H new ATOM 0 HD3 ARG A 91 0.082 9.348 -0.873 1.00 0.29 H new ATOM 0 HE ARG A 91 1.696 8.832 -3.326 1.00 0.88 H new ATOM 0 HH11 ARG A 91 1.101 10.807 -0.466 1.00 1.35 H new ATOM 0 HH12 ARG A 91 1.894 12.232 -1.146 1.00 1.35 H new ATOM 0 HH21 ARG A 91 2.700 10.663 -4.197 1.00 1.64 H new ATOM 0 HH22 ARG A 91 2.796 12.151 -3.250 1.00 1.64 H new ATOM 681 N GLN A 92 -1.277 5.907 2.497 1.00 0.09 N ATOM 682 CA GLN A 92 -2.312 4.980 2.919 1.00 0.12 C ATOM 683 C GLN A 92 -3.295 5.649 3.872 1.00 0.11 C ATOM 684 O GLN A 92 -4.507 5.519 3.727 1.00 0.13 O ATOM 685 CB GLN A 92 -1.642 3.781 3.581 1.00 0.18 C ATOM 686 CG GLN A 92 -2.406 2.482 3.429 1.00 0.35 C ATOM 687 CD GLN A 92 -3.382 2.210 4.552 1.00 0.42 C ATOM 688 OE1 GLN A 92 -3.901 3.118 5.196 1.00 1.05 O ATOM 689 NE2 GLN A 92 -3.639 0.942 4.782 1.00 0.36 N ATOM 0 H GLN A 92 -0.359 5.716 2.900 1.00 0.09 H new ATOM 0 HA GLN A 92 -2.884 4.652 2.051 1.00 0.12 H new ATOM 0 HB2 GLN A 92 -0.646 3.656 3.157 1.00 0.18 H new ATOM 0 HB3 GLN A 92 -1.512 3.991 4.643 1.00 0.18 H new ATOM 0 HG2 GLN A 92 -2.950 2.500 2.485 1.00 0.35 H new ATOM 0 HG3 GLN A 92 -1.695 1.658 3.371 1.00 0.35 H new ATOM 0 HE21 GLN A 92 -3.185 0.220 4.222 1.00 0.36 H new ATOM 0 HE22 GLN A 92 -4.292 0.680 5.520 1.00 0.36 H new ATOM 698 N GLN A 93 -2.756 6.378 4.834 1.00 0.12 N ATOM 699 CA GLN A 93 -3.553 7.080 5.826 1.00 0.14 C ATOM 700 C GLN A 93 -4.504 8.071 5.166 1.00 0.16 C ATOM 701 O GLN A 93 -5.633 8.268 5.616 1.00 0.20 O ATOM 702 CB GLN A 93 -2.643 7.821 6.814 1.00 0.15 C ATOM 703 CG GLN A 93 -1.933 6.910 7.799 1.00 0.15 C ATOM 704 CD GLN A 93 -2.837 5.863 8.411 1.00 0.21 C ATOM 705 OE1 GLN A 93 -3.501 6.098 9.420 1.00 0.28 O ATOM 706 NE2 GLN A 93 -2.833 4.685 7.817 1.00 0.22 N ATOM 0 H GLN A 93 -1.750 6.500 4.950 1.00 0.12 H new ATOM 0 HA GLN A 93 -4.143 6.338 6.364 1.00 0.14 H new ATOM 0 HB2 GLN A 93 -1.897 8.385 6.253 1.00 0.15 H new ATOM 0 HB3 GLN A 93 -3.239 8.545 7.369 1.00 0.15 H new ATOM 0 HG2 GLN A 93 -1.106 6.413 7.291 1.00 0.15 H new ATOM 0 HG3 GLN A 93 -1.500 7.516 8.595 1.00 0.15 H new ATOM 0 HE21 GLN A 93 -2.266 4.537 6.982 1.00 0.22 H new ATOM 0 HE22 GLN A 93 -3.397 3.922 8.193 1.00 0.22 H new ATOM 715 N ARG A 94 -4.034 8.697 4.093 1.00 0.14 N ATOM 716 CA ARG A 94 -4.807 9.713 3.401 1.00 0.15 C ATOM 717 C ARG A 94 -5.583 9.124 2.223 1.00 0.14 C ATOM 718 O ARG A 94 -6.284 9.836 1.496 1.00 0.19 O ATOM 719 CB ARG A 94 -3.871 10.814 2.934 1.00 0.21 C ATOM 720 CG ARG A 94 -3.101 10.488 1.685 1.00 0.76 C ATOM 721 CD ARG A 94 -1.910 11.404 1.579 1.00 0.64 C ATOM 722 NE ARG A 94 -1.480 11.591 0.195 1.00 0.86 N ATOM 723 CZ ARG A 94 -1.098 12.773 -0.298 1.00 1.04 C ATOM 724 NH1 ARG A 94 -1.001 13.827 0.502 1.00 1.60 N ATOM 725 NH2 ARG A 94 -0.809 12.899 -1.590 1.00 1.40 N ATOM 0 H ARG A 94 -3.117 8.515 3.685 1.00 0.14 H new ATOM 0 HA ARG A 94 -5.543 10.126 4.091 1.00 0.15 H new ATOM 0 HB2 ARG A 94 -4.453 11.719 2.761 1.00 0.21 H new ATOM 0 HB3 ARG A 94 -3.165 11.037 3.734 1.00 0.21 H new ATOM 0 HG2 ARG A 94 -2.774 9.449 1.707 1.00 0.76 H new ATOM 0 HG3 ARG A 94 -3.741 10.602 0.810 1.00 0.76 H new ATOM 0 HD2 ARG A 94 -2.158 12.372 2.015 1.00 0.64 H new ATOM 0 HD3 ARG A 94 -1.085 10.994 2.162 1.00 0.64 H new ATOM 0 HE ARG A 94 -1.471 10.781 -0.424 1.00 0.86 H new ATOM 0 HH11 ARG A 94 -1.218 13.736 1.494 1.00 1.60 H new ATOM 0 HH12 ARG A 94 -0.709 14.729 0.125 1.00 1.60 H new ATOM 0 HH21 ARG A 94 -0.878 12.091 -2.209 1.00 1.40 H new ATOM 0 HH22 ARG A 94 -0.518 13.803 -1.962 1.00 1.40 H new ATOM 739 N ALA A 95 -5.445 7.821 2.036 1.00 0.12 N ATOM 740 CA ALA A 95 -6.169 7.115 0.986 1.00 0.12 C ATOM 741 C ALA A 95 -7.626 6.921 1.378 1.00 0.13 C ATOM 742 O ALA A 95 -7.987 7.063 2.547 1.00 0.17 O ATOM 743 CB ALA A 95 -5.520 5.770 0.687 1.00 0.13 C ATOM 0 H ALA A 95 -4.836 7.227 2.599 1.00 0.12 H new ATOM 0 HA ALA A 95 -6.129 7.723 0.082 1.00 0.12 H new ATOM 0 HB1 ALA A 95 -6.079 5.263 -0.100 1.00 0.13 H new ATOM 0 HB2 ALA A 95 -4.493 5.927 0.359 1.00 0.13 H new ATOM 0 HB3 ALA A 95 -5.523 5.156 1.588 1.00 0.13 H new ATOM 749 N HIS A 96 -8.467 6.624 0.393 1.00 0.12 N ATOM 750 CA HIS A 96 -9.883 6.391 0.626 1.00 0.13 C ATOM 751 C HIS A 96 -10.085 5.171 1.502 1.00 0.13 C ATOM 752 O HIS A 96 -9.689 4.070 1.134 1.00 0.12 O ATOM 753 CB HIS A 96 -10.599 6.183 -0.703 1.00 0.14 C ATOM 754 CG HIS A 96 -12.036 6.562 -0.634 1.00 0.18 C ATOM 755 ND1 HIS A 96 -12.861 6.022 0.312 1.00 0.20 N ATOM 756 CD2 HIS A 96 -12.730 7.461 -1.370 1.00 0.23 C ATOM 757 CE1 HIS A 96 -14.032 6.593 0.140 1.00 0.23 C ATOM 758 NE2 HIS A 96 -14.006 7.475 -0.870 1.00 0.25 N ATOM 0 H HIS A 96 -8.186 6.539 -0.584 1.00 0.12 H new ATOM 0 HA HIS A 96 -10.297 7.263 1.133 1.00 0.13 H new ATOM 0 HB2 HIS A 96 -10.106 6.774 -1.475 1.00 0.14 H new ATOM 0 HB3 HIS A 96 -10.515 5.137 -0.999 1.00 0.14 H new ATOM 0 HD2 HIS A 96 -12.352 8.052 -2.191 1.00 0.23 H new ATOM 0 HE1 HIS A 96 -14.906 6.379 0.737 1.00 0.23 H new ATOM 0 HE2 HIS A 96 -14.784 8.045 -1.201 1.00 0.25 H new ATOM 766 N SER A 97 -10.693 5.383 2.667 1.00 0.16 N ATOM 767 CA SER A 97 -11.015 4.303 3.589 1.00 0.20 C ATOM 768 C SER A 97 -11.776 3.183 2.882 1.00 0.18 C ATOM 769 O SER A 97 -11.566 2.007 3.177 1.00 0.18 O ATOM 770 CB SER A 97 -11.834 4.846 4.764 1.00 0.29 C ATOM 771 OG SER A 97 -11.925 3.905 5.819 1.00 1.32 O ATOM 0 H SER A 97 -10.975 6.307 2.995 1.00 0.16 H new ATOM 0 HA SER A 97 -10.082 3.886 3.967 1.00 0.20 H new ATOM 0 HB2 SER A 97 -11.376 5.764 5.133 1.00 0.29 H new ATOM 0 HB3 SER A 97 -12.835 5.105 4.420 1.00 0.29 H new ATOM 0 HG SER A 97 -12.453 4.285 6.552 1.00 1.32 H new ATOM 777 N LEU A 98 -12.663 3.545 1.956 1.00 0.18 N ATOM 778 CA LEU A 98 -13.333 2.558 1.122 1.00 0.18 C ATOM 779 C LEU A 98 -12.331 1.731 0.353 1.00 0.15 C ATOM 780 O LEU A 98 -12.395 0.512 0.350 1.00 0.18 O ATOM 781 CB LEU A 98 -14.245 3.231 0.120 1.00 0.21 C ATOM 782 CG LEU A 98 -15.599 3.666 0.649 1.00 0.28 C ATOM 783 CD1 LEU A 98 -16.366 4.344 -0.464 1.00 0.57 C ATOM 784 CD2 LEU A 98 -16.371 2.475 1.201 1.00 0.61 C ATOM 0 H LEU A 98 -12.931 4.511 1.768 1.00 0.18 H new ATOM 0 HA LEU A 98 -13.913 1.918 1.788 1.00 0.18 H new ATOM 0 HB2 LEU A 98 -13.733 4.107 -0.278 1.00 0.21 H new ATOM 0 HB3 LEU A 98 -14.404 2.548 -0.714 1.00 0.21 H new ATOM 0 HG LEU A 98 -15.461 4.371 1.469 1.00 0.28 H new ATOM 0 HD11 LEU A 98 -17.341 4.660 -0.094 1.00 0.57 H new ATOM 0 HD12 LEU A 98 -15.810 5.215 -0.811 1.00 0.57 H new ATOM 0 HD13 LEU A 98 -16.501 3.646 -1.290 1.00 0.57 H new ATOM 0 HD21 LEU A 98 -17.338 2.810 1.575 1.00 0.61 H new ATOM 0 HD22 LEU A 98 -16.522 1.741 0.410 1.00 0.61 H new ATOM 0 HD23 LEU A 98 -15.806 2.020 2.014 1.00 0.61 H new ATOM 796 N PHE A 99 -11.392 2.424 -0.267 1.00 0.12 N ATOM 797 CA PHE A 99 -10.388 1.788 -1.111 1.00 0.11 C ATOM 798 C PHE A 99 -9.480 0.915 -0.262 1.00 0.11 C ATOM 799 O PHE A 99 -9.114 -0.193 -0.656 1.00 0.12 O ATOM 800 CB PHE A 99 -9.572 2.839 -1.862 1.00 0.12 C ATOM 801 CG PHE A 99 -8.356 2.276 -2.527 1.00 0.13 C ATOM 802 CD1 PHE A 99 -8.481 1.577 -3.708 1.00 0.15 C ATOM 803 CD2 PHE A 99 -7.097 2.450 -1.981 1.00 0.18 C ATOM 804 CE1 PHE A 99 -7.375 1.055 -4.343 1.00 0.18 C ATOM 805 CE2 PHE A 99 -5.983 1.932 -2.609 1.00 0.20 C ATOM 806 CZ PHE A 99 -6.084 1.233 -3.727 1.00 0.18 C ATOM 0 H PHE A 99 -11.301 3.438 -0.202 1.00 0.12 H new ATOM 0 HA PHE A 99 -10.893 1.162 -1.847 1.00 0.11 H new ATOM 0 HB2 PHE A 99 -10.204 3.311 -2.614 1.00 0.12 H new ATOM 0 HB3 PHE A 99 -9.268 3.620 -1.165 1.00 0.12 H new ATOM 0 HD1 PHE A 99 -9.460 1.436 -4.142 1.00 0.15 H new ATOM 0 HD2 PHE A 99 -6.985 2.996 -1.056 1.00 0.18 H new ATOM 0 HE1 PHE A 99 -7.473 0.526 -5.279 1.00 0.18 H new ATOM 0 HE2 PHE A 99 -5.007 2.101 -2.178 1.00 0.20 H new ATOM 0 HZ PHE A 99 -5.204 0.798 -4.176 1.00 0.18 H new ATOM 816 N LEU A 100 -9.142 1.423 0.912 1.00 0.12 N ATOM 817 CA LEU A 100 -8.337 0.690 1.876 1.00 0.14 C ATOM 818 C LEU A 100 -9.073 -0.557 2.343 1.00 0.16 C ATOM 819 O LEU A 100 -8.461 -1.522 2.775 1.00 0.21 O ATOM 820 CB LEU A 100 -8.020 1.588 3.065 1.00 0.17 C ATOM 821 CG LEU A 100 -7.366 2.910 2.699 1.00 0.17 C ATOM 822 CD1 LEU A 100 -7.458 3.886 3.856 1.00 0.21 C ATOM 823 CD2 LEU A 100 -5.928 2.675 2.307 1.00 0.22 C ATOM 0 H LEU A 100 -9.418 2.354 1.224 1.00 0.12 H new ATOM 0 HA LEU A 100 -7.406 0.382 1.399 1.00 0.14 H new ATOM 0 HB2 LEU A 100 -8.944 1.792 3.607 1.00 0.17 H new ATOM 0 HB3 LEU A 100 -7.363 1.048 3.747 1.00 0.17 H new ATOM 0 HG LEU A 100 -7.893 3.346 1.850 1.00 0.17 H new ATOM 0 HD11 LEU A 100 -6.985 4.827 3.577 1.00 0.21 H new ATOM 0 HD12 LEU A 100 -8.505 4.065 4.099 1.00 0.21 H new ATOM 0 HD13 LEU A 100 -6.950 3.469 4.725 1.00 0.21 H new ATOM 0 HD21 LEU A 100 -5.462 3.625 2.045 1.00 0.22 H new ATOM 0 HD22 LEU A 100 -5.392 2.226 3.143 1.00 0.22 H new ATOM 0 HD23 LEU A 100 -5.890 2.004 1.449 1.00 0.22 H new ATOM 835 N ALA A 101 -10.393 -0.526 2.269 1.00 0.16 N ATOM 836 CA ALA A 101 -11.196 -1.696 2.591 1.00 0.19 C ATOM 837 C ALA A 101 -11.687 -2.404 1.328 1.00 0.21 C ATOM 838 O ALA A 101 -12.456 -3.367 1.407 1.00 0.37 O ATOM 839 CB ALA A 101 -12.378 -1.297 3.461 1.00 0.23 C ATOM 0 H ALA A 101 -10.931 0.294 1.990 1.00 0.16 H new ATOM 0 HA ALA A 101 -10.564 -2.394 3.141 1.00 0.19 H new ATOM 0 HB1 ALA A 101 -12.972 -2.180 3.696 1.00 0.23 H new ATOM 0 HB2 ALA A 101 -12.014 -0.848 4.385 1.00 0.23 H new ATOM 0 HB3 ALA A 101 -12.996 -0.576 2.926 1.00 0.23 H new ATOM 845 N SER A 102 -11.220 -1.955 0.164 1.00 0.13 N ATOM 846 CA SER A 102 -11.695 -2.504 -1.101 1.00 0.15 C ATOM 847 C SER A 102 -10.738 -3.551 -1.656 1.00 0.17 C ATOM 848 O SER A 102 -9.556 -3.601 -1.303 1.00 0.25 O ATOM 849 CB SER A 102 -11.931 -1.393 -2.123 1.00 0.18 C ATOM 850 OG SER A 102 -13.106 -0.665 -1.822 1.00 1.40 O ATOM 0 H SER A 102 -10.520 -1.219 0.072 1.00 0.13 H new ATOM 0 HA SER A 102 -12.646 -2.999 -0.904 1.00 0.15 H new ATOM 0 HB2 SER A 102 -11.075 -0.718 -2.136 1.00 0.18 H new ATOM 0 HB3 SER A 102 -12.012 -1.824 -3.121 1.00 0.18 H new ATOM 0 HG SER A 102 -13.084 -0.381 -0.884 1.00 1.40 H new ATOM 856 N ALA A 103 -11.289 -4.396 -2.517 1.00 0.20 N ATOM 857 CA ALA A 103 -10.562 -5.496 -3.133 1.00 0.21 C ATOM 858 C ALA A 103 -9.346 -5.012 -3.906 1.00 0.18 C ATOM 859 O ALA A 103 -8.329 -5.704 -3.967 1.00 0.19 O ATOM 860 CB ALA A 103 -11.488 -6.256 -4.059 1.00 0.27 C ATOM 0 H ALA A 103 -12.264 -4.336 -2.810 1.00 0.20 H new ATOM 0 HA ALA A 103 -10.206 -6.150 -2.337 1.00 0.21 H new ATOM 0 HB1 ALA A 103 -10.944 -7.080 -4.521 1.00 0.27 H new ATOM 0 HB2 ALA A 103 -12.329 -6.650 -3.489 1.00 0.27 H new ATOM 0 HB3 ALA A 103 -11.858 -5.585 -4.835 1.00 0.27 H new ATOM 866 N GLU A 104 -9.475 -3.839 -4.510 1.00 0.17 N ATOM 867 CA GLU A 104 -8.400 -3.254 -5.297 1.00 0.17 C ATOM 868 C GLU A 104 -7.108 -3.157 -4.497 1.00 0.14 C ATOM 869 O GLU A 104 -6.049 -3.556 -4.970 1.00 0.14 O ATOM 870 CB GLU A 104 -8.784 -1.867 -5.760 1.00 0.22 C ATOM 871 CG GLU A 104 -7.945 -1.358 -6.911 1.00 0.30 C ATOM 872 CD GLU A 104 -8.259 -2.071 -8.206 1.00 0.97 C ATOM 873 OE1 GLU A 104 -7.676 -3.144 -8.455 1.00 1.70 O ATOM 874 OE2 GLU A 104 -9.105 -1.569 -8.972 1.00 1.29 O ATOM 0 H GLU A 104 -10.321 -3.270 -4.469 1.00 0.17 H new ATOM 0 HA GLU A 104 -8.237 -3.907 -6.154 1.00 0.17 H new ATOM 0 HB2 GLU A 104 -9.832 -1.870 -6.059 1.00 0.22 H new ATOM 0 HB3 GLU A 104 -8.694 -1.176 -4.922 1.00 0.22 H new ATOM 0 HG2 GLU A 104 -8.115 -0.289 -7.037 1.00 0.30 H new ATOM 0 HG3 GLU A 104 -6.889 -1.488 -6.674 1.00 0.30 H new ATOM 881 N PHE A 105 -7.191 -2.621 -3.279 1.00 0.13 N ATOM 882 CA PHE A 105 -6.002 -2.435 -2.461 1.00 0.13 C ATOM 883 C PHE A 105 -5.416 -3.788 -2.103 1.00 0.12 C ATOM 884 O PHE A 105 -4.205 -3.953 -2.082 1.00 0.13 O ATOM 885 CB PHE A 105 -6.322 -1.638 -1.189 1.00 0.13 C ATOM 886 CG PHE A 105 -5.099 -1.114 -0.490 1.00 0.12 C ATOM 887 CD1 PHE A 105 -3.964 -0.809 -1.218 1.00 0.12 C ATOM 888 CD2 PHE A 105 -5.084 -0.911 0.884 1.00 0.14 C ATOM 889 CE1 PHE A 105 -2.835 -0.317 -0.597 1.00 0.13 C ATOM 890 CE2 PHE A 105 -3.955 -0.419 1.509 1.00 0.15 C ATOM 891 CZ PHE A 105 -2.830 -0.120 0.764 1.00 0.14 C ATOM 0 H PHE A 105 -8.061 -2.312 -2.845 1.00 0.13 H new ATOM 0 HA PHE A 105 -5.272 -1.864 -3.035 1.00 0.13 H new ATOM 0 HB2 PHE A 105 -6.971 -0.801 -1.447 1.00 0.13 H new ATOM 0 HB3 PHE A 105 -6.880 -2.274 -0.502 1.00 0.13 H new ATOM 0 HD1 PHE A 105 -3.961 -0.958 -2.288 1.00 0.12 H new ATOM 0 HD2 PHE A 105 -5.963 -1.140 1.469 1.00 0.14 H new ATOM 0 HE1 PHE A 105 -1.955 -0.087 -1.179 1.00 0.13 H new ATOM 0 HE2 PHE A 105 -3.951 -0.268 2.578 1.00 0.15 H new ATOM 0 HZ PHE A 105 -1.947 0.268 1.250 1.00 0.14 H new ATOM 901 N CYS A 106 -6.286 -4.759 -1.862 1.00 0.13 N ATOM 902 CA CYS A 106 -5.844 -6.118 -1.590 1.00 0.15 C ATOM 903 C CYS A 106 -5.070 -6.642 -2.782 1.00 0.15 C ATOM 904 O CYS A 106 -3.984 -7.200 -2.639 1.00 0.16 O ATOM 905 CB CYS A 106 -7.038 -7.032 -1.300 1.00 0.19 C ATOM 906 SG CYS A 106 -6.594 -8.774 -1.089 1.00 0.29 S ATOM 0 H CYS A 106 -7.298 -4.631 -1.849 1.00 0.13 H new ATOM 0 HA CYS A 106 -5.201 -6.108 -0.710 1.00 0.15 H new ATOM 0 HB2 CYS A 106 -7.539 -6.683 -0.397 1.00 0.19 H new ATOM 0 HB3 CYS A 106 -7.755 -6.946 -2.116 1.00 0.19 H new ATOM 0 HG CYS A 106 -6.732 -9.109 0.160 1.00 0.29 H new ATOM 912 N ASN A 107 -5.647 -6.441 -3.958 1.00 0.14 N ATOM 913 CA ASN A 107 -5.023 -6.809 -5.220 1.00 0.16 C ATOM 914 C ASN A 107 -3.626 -6.225 -5.314 1.00 0.15 C ATOM 915 O ASN A 107 -2.639 -6.942 -5.466 1.00 0.17 O ATOM 916 CB ASN A 107 -5.861 -6.252 -6.368 1.00 0.18 C ATOM 917 CG ASN A 107 -6.136 -7.276 -7.449 1.00 0.24 C ATOM 918 OD1 ASN A 107 -5.324 -8.166 -7.703 1.00 0.32 O ATOM 919 ND2 ASN A 107 -7.286 -7.155 -8.093 1.00 0.34 N ATOM 0 H ASN A 107 -6.568 -6.015 -4.064 1.00 0.14 H new ATOM 0 HA ASN A 107 -4.961 -7.896 -5.278 1.00 0.16 H new ATOM 0 HB2 ASN A 107 -6.808 -5.884 -5.974 1.00 0.18 H new ATOM 0 HB3 ASN A 107 -5.345 -5.398 -6.807 1.00 0.18 H new ATOM 0 HD21 ASN A 107 -7.528 -7.815 -8.832 1.00 0.34 H new ATOM 0 HD22 ASN A 107 -7.930 -6.402 -7.850 1.00 0.34 H new ATOM 926 N ILE A 108 -3.573 -4.912 -5.170 1.00 0.13 N ATOM 927 CA ILE A 108 -2.354 -4.133 -5.303 1.00 0.13 C ATOM 928 C ILE A 108 -1.330 -4.522 -4.243 1.00 0.11 C ATOM 929 O ILE A 108 -0.155 -4.728 -4.538 1.00 0.12 O ATOM 930 CB ILE A 108 -2.726 -2.642 -5.177 1.00 0.14 C ATOM 931 CG1 ILE A 108 -3.523 -2.209 -6.409 1.00 0.17 C ATOM 932 CG2 ILE A 108 -1.500 -1.769 -4.975 1.00 0.14 C ATOM 933 CD1 ILE A 108 -4.353 -0.966 -6.191 1.00 0.17 C ATOM 0 H ILE A 108 -4.393 -4.346 -4.953 1.00 0.13 H new ATOM 0 HA ILE A 108 -1.898 -4.329 -6.273 1.00 0.13 H new ATOM 0 HB ILE A 108 -3.347 -2.514 -4.290 1.00 0.14 H new ATOM 0 HG12 ILE A 108 -2.832 -2.034 -7.234 1.00 0.17 H new ATOM 0 HG13 ILE A 108 -4.180 -3.025 -6.711 1.00 0.17 H new ATOM 0 HG21 ILE A 108 -1.806 -0.726 -4.891 1.00 0.14 H new ATOM 0 HG22 ILE A 108 -0.985 -2.071 -4.063 1.00 0.14 H new ATOM 0 HG23 ILE A 108 -0.828 -1.883 -5.826 1.00 0.14 H new ATOM 0 HD11 ILE A 108 -4.889 -0.721 -7.108 1.00 0.17 H new ATOM 0 HD12 ILE A 108 -5.069 -1.143 -5.388 1.00 0.17 H new ATOM 0 HD13 ILE A 108 -3.701 -0.136 -5.919 1.00 0.17 H new ATOM 945 N LEU A 109 -1.806 -4.639 -3.018 1.00 0.09 N ATOM 946 CA LEU A 109 -0.979 -4.999 -1.881 1.00 0.08 C ATOM 947 C LEU A 109 -0.385 -6.379 -2.025 1.00 0.09 C ATOM 948 O LEU A 109 0.827 -6.562 -1.938 1.00 0.10 O ATOM 949 CB LEU A 109 -1.815 -4.939 -0.626 1.00 0.08 C ATOM 950 CG LEU A 109 -1.756 -3.597 0.077 1.00 0.07 C ATOM 951 CD1 LEU A 109 -2.715 -3.568 1.233 1.00 0.09 C ATOM 952 CD2 LEU A 109 -0.350 -3.320 0.554 1.00 0.07 C ATOM 0 H LEU A 109 -2.786 -4.486 -2.782 1.00 0.09 H new ATOM 0 HA LEU A 109 -0.153 -4.290 -1.828 1.00 0.08 H new ATOM 0 HB2 LEU A 109 -2.852 -5.163 -0.878 1.00 0.08 H new ATOM 0 HB3 LEU A 109 -1.480 -5.715 0.062 1.00 0.08 H new ATOM 0 HG LEU A 109 -2.045 -2.820 -0.631 1.00 0.07 H new ATOM 0 HD11 LEU A 109 -2.660 -2.598 1.727 1.00 0.09 H new ATOM 0 HD12 LEU A 109 -3.729 -3.733 0.869 1.00 0.09 H new ATOM 0 HD13 LEU A 109 -2.452 -4.352 1.943 1.00 0.09 H new ATOM 0 HD21 LEU A 109 -0.320 -2.354 1.057 1.00 0.07 H new ATOM 0 HD22 LEU A 109 -0.041 -4.101 1.249 1.00 0.07 H new ATOM 0 HD23 LEU A 109 0.328 -3.306 -0.300 1.00 0.07 H new ATOM 964 N SER A 110 -1.248 -7.344 -2.247 1.00 0.10 N ATOM 965 CA SER A 110 -0.829 -8.719 -2.394 1.00 0.12 C ATOM 966 C SER A 110 0.156 -8.849 -3.551 1.00 0.12 C ATOM 967 O SER A 110 1.094 -9.642 -3.496 1.00 0.14 O ATOM 968 CB SER A 110 -2.047 -9.595 -2.610 1.00 0.15 C ATOM 969 OG SER A 110 -2.983 -9.434 -1.556 1.00 1.15 O ATOM 0 H SER A 110 -2.254 -7.199 -2.330 1.00 0.10 H new ATOM 0 HA SER A 110 -0.321 -9.046 -1.487 1.00 0.12 H new ATOM 0 HB2 SER A 110 -2.517 -9.342 -3.560 1.00 0.15 H new ATOM 0 HB3 SER A 110 -1.742 -10.639 -2.673 1.00 0.15 H new ATOM 0 HG SER A 110 -3.452 -8.580 -1.663 1.00 1.15 H new ATOM 975 N ARG A 111 -0.066 -8.049 -4.593 1.00 0.11 N ATOM 976 CA ARG A 111 0.859 -7.959 -5.707 1.00 0.12 C ATOM 977 C ARG A 111 2.227 -7.507 -5.242 1.00 0.11 C ATOM 978 O ARG A 111 3.215 -8.222 -5.389 1.00 0.13 O ATOM 979 CB ARG A 111 0.343 -6.956 -6.733 1.00 0.16 C ATOM 980 CG ARG A 111 -0.695 -7.514 -7.670 1.00 0.26 C ATOM 981 CD ARG A 111 -1.129 -6.472 -8.688 1.00 0.99 C ATOM 982 NE ARG A 111 -2.080 -7.001 -9.665 1.00 1.81 N ATOM 983 CZ ARG A 111 -2.347 -6.413 -10.832 1.00 2.57 C ATOM 984 NH1 ARG A 111 -1.742 -5.282 -11.165 1.00 2.67 N ATOM 985 NH2 ARG A 111 -3.220 -6.953 -11.672 1.00 3.55 N ATOM 0 H ARG A 111 -0.888 -7.452 -4.683 1.00 0.11 H new ATOM 0 HA ARG A 111 0.939 -8.950 -6.153 1.00 0.12 H new ATOM 0 HB2 ARG A 111 -0.080 -6.100 -6.207 1.00 0.16 H new ATOM 0 HB3 ARG A 111 1.185 -6.586 -7.319 1.00 0.16 H new ATOM 0 HG2 ARG A 111 -0.293 -8.386 -8.186 1.00 0.26 H new ATOM 0 HG3 ARG A 111 -1.560 -7.852 -7.100 1.00 0.26 H new ATOM 0 HD2 ARG A 111 -1.581 -5.627 -8.168 1.00 0.99 H new ATOM 0 HD3 ARG A 111 -0.251 -6.092 -9.210 1.00 0.99 H new ATOM 0 HE ARG A 111 -2.567 -7.869 -9.441 1.00 1.81 H new ATOM 0 HH11 ARG A 111 -1.069 -4.857 -10.528 1.00 2.67 H new ATOM 0 HH12 ARG A 111 -1.950 -4.836 -12.059 1.00 2.67 H new ATOM 0 HH21 ARG A 111 -3.692 -7.823 -11.427 1.00 3.55 H new ATOM 0 HH22 ARG A 111 -3.419 -6.498 -12.563 1.00 3.55 H new ATOM 999 N VAL A 112 2.269 -6.329 -4.642 1.00 0.10 N ATOM 1000 CA VAL A 112 3.538 -5.698 -4.310 1.00 0.10 C ATOM 1001 C VAL A 112 4.282 -6.456 -3.236 1.00 0.11 C ATOM 1002 O VAL A 112 5.468 -6.661 -3.363 1.00 0.12 O ATOM 1003 CB VAL A 112 3.400 -4.224 -3.871 1.00 0.10 C ATOM 1004 CG1 VAL A 112 3.138 -3.337 -5.060 1.00 0.11 C ATOM 1005 CG2 VAL A 112 2.309 -4.041 -2.842 1.00 0.10 C ATOM 0 H VAL A 112 1.444 -5.792 -4.375 1.00 0.10 H new ATOM 0 HA VAL A 112 4.106 -5.721 -5.240 1.00 0.10 H new ATOM 0 HB VAL A 112 4.346 -3.937 -3.411 1.00 0.10 H new ATOM 0 HG11 VAL A 112 3.044 -2.303 -4.729 1.00 0.11 H new ATOM 0 HG12 VAL A 112 3.966 -3.419 -5.764 1.00 0.11 H new ATOM 0 HG13 VAL A 112 2.214 -3.647 -5.549 1.00 0.11 H new ATOM 0 HG21 VAL A 112 2.246 -2.990 -2.561 1.00 0.10 H new ATOM 0 HG22 VAL A 112 1.356 -4.362 -3.262 1.00 0.10 H new ATOM 0 HG23 VAL A 112 2.537 -4.639 -1.960 1.00 0.10 H new ATOM 1015 N LEU A 113 3.586 -6.870 -2.192 1.00 0.10 N ATOM 1016 CA LEU A 113 4.212 -7.605 -1.098 1.00 0.11 C ATOM 1017 C LEU A 113 4.928 -8.843 -1.601 1.00 0.12 C ATOM 1018 O LEU A 113 6.117 -9.039 -1.350 1.00 0.14 O ATOM 1019 CB LEU A 113 3.148 -8.001 -0.090 1.00 0.11 C ATOM 1020 CG LEU A 113 3.027 -7.045 1.075 1.00 0.12 C ATOM 1021 CD1 LEU A 113 1.617 -6.504 1.171 1.00 0.31 C ATOM 1022 CD2 LEU A 113 3.441 -7.735 2.358 1.00 0.28 C ATOM 0 H LEU A 113 2.585 -6.711 -2.075 1.00 0.10 H new ATOM 0 HA LEU A 113 4.953 -6.959 -0.627 1.00 0.11 H new ATOM 0 HB2 LEU A 113 2.185 -8.065 -0.597 1.00 0.11 H new ATOM 0 HB3 LEU A 113 3.374 -8.997 0.291 1.00 0.11 H new ATOM 0 HG LEU A 113 3.696 -6.200 0.913 1.00 0.12 H new ATOM 0 HD11 LEU A 113 1.547 -5.818 2.015 1.00 0.31 H new ATOM 0 HD12 LEU A 113 1.367 -5.975 0.251 1.00 0.31 H new ATOM 0 HD13 LEU A 113 0.920 -7.329 1.316 1.00 0.31 H new ATOM 0 HD21 LEU A 113 3.350 -7.038 3.191 1.00 0.28 H new ATOM 0 HD22 LEU A 113 2.796 -8.596 2.533 1.00 0.28 H new ATOM 0 HD23 LEU A 113 4.475 -8.068 2.274 1.00 0.28 H new ATOM 1034 N SER A 114 4.190 -9.652 -2.324 1.00 0.13 N ATOM 1035 CA SER A 114 4.715 -10.891 -2.887 1.00 0.15 C ATOM 1036 C SER A 114 5.906 -10.612 -3.797 1.00 0.15 C ATOM 1037 O SER A 114 6.920 -11.311 -3.745 1.00 0.17 O ATOM 1038 CB SER A 114 3.617 -11.628 -3.653 1.00 0.17 C ATOM 1039 OG SER A 114 2.468 -11.801 -2.841 1.00 1.00 O ATOM 0 H SER A 114 3.209 -9.478 -2.543 1.00 0.13 H new ATOM 0 HA SER A 114 5.057 -11.524 -2.068 1.00 0.15 H new ATOM 0 HB2 SER A 114 3.353 -11.067 -4.550 1.00 0.17 H new ATOM 0 HB3 SER A 114 3.986 -12.600 -3.982 1.00 0.17 H new ATOM 0 HG SER A 114 1.752 -11.211 -3.157 1.00 1.00 H new ATOM 1045 N ARG A 115 5.785 -9.570 -4.604 1.00 0.13 N ATOM 1046 CA ARG A 115 6.864 -9.148 -5.477 1.00 0.14 C ATOM 1047 C ARG A 115 8.023 -8.581 -4.663 1.00 0.14 C ATOM 1048 O ARG A 115 9.182 -8.802 -4.982 1.00 0.18 O ATOM 1049 CB ARG A 115 6.344 -8.089 -6.446 1.00 0.17 C ATOM 1050 CG ARG A 115 5.359 -8.623 -7.466 1.00 0.24 C ATOM 1051 CD ARG A 115 4.809 -7.506 -8.334 1.00 0.35 C ATOM 1052 NE ARG A 115 4.067 -8.027 -9.480 1.00 0.84 N ATOM 1053 CZ ARG A 115 3.544 -7.278 -10.448 1.00 1.19 C ATOM 1054 NH1 ARG A 115 3.564 -5.949 -10.367 1.00 1.20 N ATOM 1055 NH2 ARG A 115 2.975 -7.864 -11.491 1.00 1.83 N ATOM 0 H ARG A 115 4.943 -8.998 -4.671 1.00 0.13 H new ATOM 0 HA ARG A 115 7.226 -10.011 -6.035 1.00 0.14 H new ATOM 0 HB2 ARG A 115 5.866 -7.292 -5.876 1.00 0.17 H new ATOM 0 HB3 ARG A 115 7.189 -7.643 -6.970 1.00 0.17 H new ATOM 0 HG2 ARG A 115 5.849 -9.367 -8.094 1.00 0.24 H new ATOM 0 HG3 ARG A 115 4.539 -9.127 -6.955 1.00 0.24 H new ATOM 0 HD2 ARG A 115 4.156 -6.869 -7.737 1.00 0.35 H new ATOM 0 HD3 ARG A 115 5.630 -6.881 -8.686 1.00 0.35 H new ATOM 0 HE ARG A 115 3.941 -9.037 -9.543 1.00 0.84 H new ATOM 0 HH11 ARG A 115 3.984 -5.494 -9.556 1.00 1.20 H new ATOM 0 HH12 ARG A 115 3.160 -5.386 -11.116 1.00 1.20 H new ATOM 0 HH21 ARG A 115 2.940 -8.882 -11.548 1.00 1.83 H new ATOM 0 HH22 ARG A 115 2.572 -7.297 -12.237 1.00 1.83 H new ATOM 1069 N ALA A 116 7.682 -7.846 -3.616 1.00 0.13 N ATOM 1070 CA ALA A 116 8.661 -7.141 -2.790 1.00 0.14 C ATOM 1071 C ALA A 116 9.566 -8.096 -2.025 1.00 0.16 C ATOM 1072 O ALA A 116 10.770 -7.879 -1.934 1.00 0.18 O ATOM 1073 CB ALA A 116 7.949 -6.199 -1.833 1.00 0.15 C ATOM 0 H ALA A 116 6.717 -7.719 -3.311 1.00 0.13 H new ATOM 0 HA ALA A 116 9.301 -6.564 -3.458 1.00 0.14 H new ATOM 0 HB1 ALA A 116 8.685 -5.677 -1.221 1.00 0.15 H new ATOM 0 HB2 ALA A 116 7.369 -5.472 -2.402 1.00 0.15 H new ATOM 0 HB3 ALA A 116 7.281 -6.771 -1.189 1.00 0.15 H new ATOM 1079 N ARG A 117 8.989 -9.149 -1.473 1.00 0.19 N ATOM 1080 CA ARG A 117 9.779 -10.135 -0.746 1.00 0.24 C ATOM 1081 C ARG A 117 10.687 -10.902 -1.691 1.00 0.26 C ATOM 1082 O ARG A 117 11.754 -11.382 -1.306 1.00 0.32 O ATOM 1083 CB ARG A 117 8.889 -11.103 0.018 1.00 0.28 C ATOM 1084 CG ARG A 117 8.433 -10.555 1.350 1.00 0.61 C ATOM 1085 CD ARG A 117 6.982 -10.123 1.316 1.00 0.34 C ATOM 1086 NE ARG A 117 6.084 -11.249 1.052 1.00 1.22 N ATOM 1087 CZ ARG A 117 4.991 -11.517 1.768 1.00 1.38 C ATOM 1088 NH1 ARG A 117 4.668 -10.762 2.808 1.00 1.30 N ATOM 1089 NH2 ARG A 117 4.230 -12.556 1.455 1.00 2.33 N ATOM 0 H ARG A 117 7.989 -9.345 -1.511 1.00 0.19 H new ATOM 0 HA ARG A 117 10.394 -9.594 -0.027 1.00 0.24 H new ATOM 0 HB2 ARG A 117 8.016 -11.342 -0.589 1.00 0.28 H new ATOM 0 HB3 ARG A 117 9.430 -12.035 0.180 1.00 0.28 H new ATOM 0 HG2 ARG A 117 8.568 -11.314 2.120 1.00 0.61 H new ATOM 0 HG3 ARG A 117 9.058 -9.706 1.627 1.00 0.61 H new ATOM 0 HD2 ARG A 117 6.718 -9.663 2.268 1.00 0.34 H new ATOM 0 HD3 ARG A 117 6.847 -9.363 0.547 1.00 0.34 H new ATOM 0 HE ARG A 117 6.308 -11.867 0.272 1.00 1.22 H new ATOM 0 HH11 ARG A 117 5.257 -9.970 3.066 1.00 1.30 H new ATOM 0 HH12 ARG A 117 3.831 -10.973 3.351 1.00 1.30 H new ATOM 0 HH21 ARG A 117 4.480 -13.152 0.666 1.00 2.33 H new ATOM 0 HH22 ARG A 117 3.394 -12.760 2.003 1.00 2.33 H new ATOM 1103 N SER A 118 10.257 -11.000 -2.932 1.00 0.26 N ATOM 1104 CA SER A 118 11.008 -11.704 -3.954 1.00 0.31 C ATOM 1105 C SER A 118 12.038 -10.784 -4.573 1.00 0.28 C ATOM 1106 O SER A 118 13.129 -11.207 -4.960 1.00 0.32 O ATOM 1107 CB SER A 118 10.058 -12.197 -5.030 1.00 0.37 C ATOM 1108 OG SER A 118 10.461 -13.454 -5.547 1.00 0.68 O ATOM 0 H SER A 118 9.380 -10.596 -3.261 1.00 0.26 H new ATOM 0 HA SER A 118 11.519 -12.552 -3.498 1.00 0.31 H new ATOM 0 HB2 SER A 118 9.052 -12.278 -4.618 1.00 0.37 H new ATOM 0 HB3 SER A 118 10.014 -11.468 -5.839 1.00 0.37 H new ATOM 0 HG SER A 118 9.827 -13.743 -6.236 1.00 0.68 H new ATOM 1114 N ARG A 119 11.677 -9.525 -4.653 1.00 0.23 N ATOM 1115 CA ARG A 119 12.498 -8.525 -5.272 1.00 0.20 C ATOM 1116 C ARG A 119 12.555 -7.274 -4.426 1.00 0.18 C ATOM 1117 O ARG A 119 11.909 -6.271 -4.726 1.00 0.17 O ATOM 1118 CB ARG A 119 11.939 -8.218 -6.643 1.00 0.25 C ATOM 1119 CG ARG A 119 12.463 -9.154 -7.697 1.00 0.33 C ATOM 1120 CD ARG A 119 13.855 -8.740 -8.133 1.00 0.33 C ATOM 1121 NE ARG A 119 14.564 -9.810 -8.831 1.00 0.55 N ATOM 1122 CZ ARG A 119 15.796 -9.682 -9.313 1.00 0.97 C ATOM 1123 NH1 ARG A 119 16.406 -8.504 -9.269 1.00 1.48 N ATOM 1124 NH2 ARG A 119 16.419 -10.725 -9.854 1.00 1.19 N ATOM 0 H ARG A 119 10.795 -9.168 -4.285 1.00 0.23 H new ATOM 0 HA ARG A 119 13.517 -8.901 -5.367 1.00 0.20 H new ATOM 0 HB2 ARG A 119 10.851 -8.282 -6.612 1.00 0.25 H new ATOM 0 HB3 ARG A 119 12.190 -7.193 -6.914 1.00 0.25 H new ATOM 0 HG2 ARG A 119 12.485 -10.172 -7.308 1.00 0.33 H new ATOM 0 HG3 ARG A 119 11.792 -9.155 -8.556 1.00 0.33 H new ATOM 0 HD2 ARG A 119 13.784 -7.870 -8.785 1.00 0.33 H new ATOM 0 HD3 ARG A 119 14.431 -8.437 -7.259 1.00 0.33 H new ATOM 0 HE ARG A 119 14.088 -10.703 -8.955 1.00 0.55 H new ATOM 0 HH11 ARG A 119 15.929 -7.698 -8.865 1.00 1.48 H new ATOM 0 HH12 ARG A 119 17.351 -8.405 -9.639 1.00 1.48 H new ATOM 0 HH21 ARG A 119 15.951 -11.630 -9.901 1.00 1.19 H new ATOM 0 HH22 ARG A 119 17.364 -10.620 -10.222 1.00 1.19 H new ATOM 1138 N PRO A 120 13.329 -7.327 -3.345 1.00 0.19 N ATOM 1139 CA PRO A 120 13.519 -6.194 -2.445 1.00 0.19 C ATOM 1140 C PRO A 120 14.304 -5.049 -3.086 1.00 0.20 C ATOM 1141 O PRO A 120 14.456 -3.984 -2.490 1.00 0.21 O ATOM 1142 CB PRO A 120 14.291 -6.809 -1.287 1.00 0.23 C ATOM 1143 CG PRO A 120 15.034 -7.923 -1.913 1.00 0.25 C ATOM 1144 CD PRO A 120 14.057 -8.517 -2.873 1.00 0.22 C ATOM 0 HA PRO A 120 12.574 -5.736 -2.153 1.00 0.19 H new ATOM 0 HB2 PRO A 120 14.965 -6.087 -0.827 1.00 0.23 H new ATOM 0 HB3 PRO A 120 13.622 -7.164 -0.504 1.00 0.23 H new ATOM 0 HG2 PRO A 120 15.929 -7.568 -2.424 1.00 0.25 H new ATOM 0 HG3 PRO A 120 15.358 -8.653 -1.171 1.00 0.25 H new ATOM 0 HD2 PRO A 120 14.554 -9.041 -3.689 1.00 0.22 H new ATOM 0 HD3 PRO A 120 13.395 -9.235 -2.389 1.00 0.22 H new ATOM 1152 N ALA A 121 14.815 -5.272 -4.295 1.00 0.20 N ATOM 1153 CA ALA A 121 15.400 -4.190 -5.078 1.00 0.22 C ATOM 1154 C ALA A 121 14.287 -3.459 -5.792 1.00 0.19 C ATOM 1155 O ALA A 121 14.285 -2.237 -5.923 1.00 0.21 O ATOM 1156 CB ALA A 121 16.397 -4.724 -6.089 1.00 0.25 C ATOM 0 H ALA A 121 14.835 -6.185 -4.749 1.00 0.20 H new ATOM 0 HA ALA A 121 15.933 -3.513 -4.410 1.00 0.22 H new ATOM 0 HB1 ALA A 121 16.817 -3.895 -6.658 1.00 0.25 H new ATOM 0 HB2 ALA A 121 17.198 -5.249 -5.568 1.00 0.25 H new ATOM 0 HB3 ALA A 121 15.894 -5.412 -6.768 1.00 0.25 H new ATOM 1162 N LYS A 122 13.330 -4.250 -6.234 1.00 0.16 N ATOM 1163 CA LYS A 122 12.137 -3.752 -6.870 1.00 0.16 C ATOM 1164 C LYS A 122 11.197 -3.117 -5.856 1.00 0.11 C ATOM 1165 O LYS A 122 10.177 -2.554 -6.226 1.00 0.11 O ATOM 1166 CB LYS A 122 11.439 -4.892 -7.558 1.00 0.20 C ATOM 1167 CG LYS A 122 12.086 -5.265 -8.856 1.00 0.27 C ATOM 1168 CD LYS A 122 11.421 -4.573 -10.018 1.00 0.41 C ATOM 1169 CE LYS A 122 10.087 -5.200 -10.342 1.00 0.79 C ATOM 1170 NZ LYS A 122 9.495 -4.653 -11.591 1.00 1.07 N ATOM 0 H LYS A 122 13.364 -5.267 -6.159 1.00 0.16 H new ATOM 0 HA LYS A 122 12.420 -2.988 -7.594 1.00 0.16 H new ATOM 0 HB2 LYS A 122 11.431 -5.759 -6.898 1.00 0.20 H new ATOM 0 HB3 LYS A 122 10.399 -4.620 -7.740 1.00 0.20 H new ATOM 0 HG2 LYS A 122 13.143 -4.999 -8.828 1.00 0.27 H new ATOM 0 HG3 LYS A 122 12.033 -6.345 -8.994 1.00 0.27 H new ATOM 0 HD2 LYS A 122 11.281 -3.518 -9.784 1.00 0.41 H new ATOM 0 HD3 LYS A 122 12.070 -4.622 -10.892 1.00 0.41 H new ATOM 0 HE2 LYS A 122 10.210 -6.278 -10.443 1.00 0.79 H new ATOM 0 HE3 LYS A 122 9.399 -5.034 -9.513 1.00 0.79 H new ATOM 0 HZ1 LYS A 122 8.580 -5.113 -11.772 1.00 1.07 H new ATOM 0 HZ2 LYS A 122 9.352 -3.628 -11.488 1.00 1.07 H new ATOM 0 HZ3 LYS A 122 10.138 -4.834 -12.388 1.00 1.07 H new ATOM 1184 N LEU A 123 11.526 -3.254 -4.575 1.00 0.10 N ATOM 1185 CA LEU A 123 10.735 -2.687 -3.490 1.00 0.08 C ATOM 1186 C LEU A 123 10.311 -1.250 -3.754 1.00 0.08 C ATOM 1187 O LEU A 123 9.157 -0.917 -3.559 1.00 0.13 O ATOM 1188 CB LEU A 123 11.526 -2.751 -2.198 1.00 0.12 C ATOM 1189 CG LEU A 123 10.786 -2.238 -0.973 1.00 0.14 C ATOM 1190 CD1 LEU A 123 9.491 -2.995 -0.768 1.00 0.12 C ATOM 1191 CD2 LEU A 123 11.660 -2.352 0.247 1.00 0.23 C ATOM 0 H LEU A 123 12.352 -3.763 -4.260 1.00 0.10 H new ATOM 0 HA LEU A 123 9.825 -3.282 -3.414 1.00 0.08 H new ATOM 0 HB2 LEU A 123 11.822 -3.785 -2.020 1.00 0.12 H new ATOM 0 HB3 LEU A 123 12.442 -2.174 -2.320 1.00 0.12 H new ATOM 0 HG LEU A 123 10.542 -1.188 -1.134 1.00 0.14 H new ATOM 0 HD11 LEU A 123 8.980 -2.610 0.114 1.00 0.12 H new ATOM 0 HD12 LEU A 123 8.852 -2.867 -1.642 1.00 0.12 H new ATOM 0 HD13 LEU A 123 9.707 -4.054 -0.629 1.00 0.12 H new ATOM 0 HD21 LEU A 123 11.119 -1.982 1.118 1.00 0.23 H new ATOM 0 HD22 LEU A 123 11.930 -3.396 0.405 1.00 0.23 H new ATOM 0 HD23 LEU A 123 12.564 -1.761 0.103 1.00 0.23 H new ATOM 1203 N TYR A 124 11.223 -0.407 -4.216 1.00 0.11 N ATOM 1204 CA TYR A 124 10.892 0.958 -4.531 1.00 0.10 C ATOM 1205 C TYR A 124 9.866 1.031 -5.637 1.00 0.11 C ATOM 1206 O TYR A 124 9.050 1.924 -5.654 1.00 0.14 O ATOM 1207 CB TYR A 124 12.155 1.715 -4.905 1.00 0.14 C ATOM 1208 CG TYR A 124 13.064 1.835 -3.730 1.00 0.57 C ATOM 1209 CD1 TYR A 124 12.507 1.952 -2.488 1.00 0.33 C ATOM 1210 CD2 TYR A 124 14.442 1.832 -3.843 1.00 1.30 C ATOM 1211 CE1 TYR A 124 13.275 2.058 -1.366 1.00 0.74 C ATOM 1212 CE2 TYR A 124 15.240 1.939 -2.722 1.00 1.74 C ATOM 1213 CZ TYR A 124 14.651 2.054 -1.477 1.00 1.45 C ATOM 1214 OH TYR A 124 15.433 2.161 -0.350 1.00 1.89 O ATOM 0 H TYR A 124 12.199 -0.654 -4.378 1.00 0.11 H new ATOM 0 HA TYR A 124 10.449 1.424 -3.651 1.00 0.10 H new ATOM 0 HB2 TYR A 124 12.668 1.199 -5.717 1.00 0.14 H new ATOM 0 HB3 TYR A 124 11.895 2.708 -5.273 1.00 0.14 H new ATOM 0 HD1 TYR A 124 11.431 1.961 -2.392 1.00 0.33 H new ATOM 0 HD2 TYR A 124 14.898 1.745 -4.818 1.00 1.30 H new ATOM 0 HE1 TYR A 124 12.809 2.145 -0.396 1.00 0.74 H new ATOM 0 HE2 TYR A 124 16.316 1.933 -2.817 1.00 1.74 H new ATOM 0 HH TYR A 124 16.379 2.141 -0.605 1.00 1.89 H new ATOM 1224 N VAL A 125 9.857 0.054 -6.516 1.00 0.10 N ATOM 1225 CA VAL A 125 8.878 0.025 -7.589 1.00 0.12 C ATOM 1226 C VAL A 125 7.510 -0.173 -6.975 1.00 0.11 C ATOM 1227 O VAL A 125 6.532 0.470 -7.332 1.00 0.14 O ATOM 1228 CB VAL A 125 9.139 -1.144 -8.551 1.00 0.15 C ATOM 1229 CG1 VAL A 125 8.142 -1.142 -9.684 1.00 0.20 C ATOM 1230 CG2 VAL A 125 10.556 -1.109 -9.075 1.00 0.18 C ATOM 0 H VAL A 125 10.511 -0.729 -6.513 1.00 0.10 H new ATOM 0 HA VAL A 125 8.943 0.960 -8.145 1.00 0.12 H new ATOM 0 HB VAL A 125 9.012 -2.072 -7.994 1.00 0.15 H new ATOM 0 HG11 VAL A 125 8.348 -1.979 -10.351 1.00 0.20 H new ATOM 0 HG12 VAL A 125 7.134 -1.238 -9.281 1.00 0.20 H new ATOM 0 HG13 VAL A 125 8.223 -0.207 -10.239 1.00 0.20 H new ATOM 0 HG21 VAL A 125 10.714 -1.947 -9.753 1.00 0.18 H new ATOM 0 HG22 VAL A 125 10.723 -0.174 -9.609 1.00 0.18 H new ATOM 0 HG23 VAL A 125 11.254 -1.181 -8.241 1.00 0.18 H new ATOM 1240 N TYR A 126 7.503 -1.076 -6.025 1.00 0.07 N ATOM 1241 CA TYR A 126 6.318 -1.495 -5.304 1.00 0.08 C ATOM 1242 C TYR A 126 5.870 -0.424 -4.314 1.00 0.08 C ATOM 1243 O TYR A 126 4.680 -0.147 -4.178 1.00 0.10 O ATOM 1244 CB TYR A 126 6.683 -2.800 -4.608 1.00 0.11 C ATOM 1245 CG TYR A 126 7.276 -3.812 -5.565 1.00 0.15 C ATOM 1246 CD1 TYR A 126 6.871 -3.872 -6.900 1.00 0.18 C ATOM 1247 CD2 TYR A 126 8.244 -4.696 -5.139 1.00 0.21 C ATOM 1248 CE1 TYR A 126 7.423 -4.796 -7.771 1.00 0.25 C ATOM 1249 CE2 TYR A 126 8.787 -5.628 -6.003 1.00 0.27 C ATOM 1250 CZ TYR A 126 8.376 -5.670 -7.312 1.00 0.28 C ATOM 1251 OH TYR A 126 8.905 -6.614 -8.161 1.00 0.36 O ATOM 0 H TYR A 126 8.349 -1.558 -5.720 1.00 0.07 H new ATOM 0 HA TYR A 126 5.473 -1.644 -5.977 1.00 0.08 H new ATOM 0 HB2 TYR A 126 7.396 -2.597 -3.809 1.00 0.11 H new ATOM 0 HB3 TYR A 126 5.793 -3.222 -4.141 1.00 0.11 H new ATOM 0 HD1 TYR A 126 6.116 -3.188 -7.258 1.00 0.18 H new ATOM 0 HD2 TYR A 126 8.583 -4.660 -4.114 1.00 0.21 H new ATOM 0 HE1 TYR A 126 7.106 -4.829 -8.803 1.00 0.25 H new ATOM 0 HE2 TYR A 126 9.534 -6.323 -5.649 1.00 0.27 H new ATOM 0 HH TYR A 126 8.235 -6.864 -8.831 1.00 0.36 H new ATOM 1261 N ILE A 127 6.835 0.171 -3.633 1.00 0.08 N ATOM 1262 CA ILE A 127 6.598 1.310 -2.764 1.00 0.11 C ATOM 1263 C ILE A 127 6.029 2.461 -3.569 1.00 0.12 C ATOM 1264 O ILE A 127 4.993 3.025 -3.226 1.00 0.14 O ATOM 1265 CB ILE A 127 7.917 1.751 -2.107 1.00 0.11 C ATOM 1266 CG1 ILE A 127 8.391 0.687 -1.134 1.00 0.12 C ATOM 1267 CG2 ILE A 127 7.775 3.085 -1.395 1.00 0.12 C ATOM 1268 CD1 ILE A 127 9.845 0.830 -0.777 1.00 0.13 C ATOM 0 H ILE A 127 7.811 -0.125 -3.668 1.00 0.08 H new ATOM 0 HA ILE A 127 5.887 1.021 -1.990 1.00 0.11 H new ATOM 0 HB ILE A 127 8.657 1.878 -2.898 1.00 0.11 H new ATOM 0 HG12 ILE A 127 7.792 0.739 -0.225 1.00 0.12 H new ATOM 0 HG13 ILE A 127 8.224 -0.298 -1.570 1.00 0.12 H new ATOM 0 HG21 ILE A 127 8.729 3.360 -0.945 1.00 0.12 H new ATOM 0 HG22 ILE A 127 7.478 3.850 -2.112 1.00 0.12 H new ATOM 0 HG23 ILE A 127 7.016 3.003 -0.617 1.00 0.12 H new ATOM 0 HD11 ILE A 127 10.127 0.042 -0.079 1.00 0.13 H new ATOM 0 HD12 ILE A 127 10.451 0.749 -1.679 1.00 0.13 H new ATOM 0 HD13 ILE A 127 10.012 1.802 -0.314 1.00 0.13 H new ATOM 1280 N ASN A 128 6.720 2.791 -4.656 1.00 0.12 N ATOM 1281 CA ASN A 128 6.252 3.828 -5.576 1.00 0.15 C ATOM 1282 C ASN A 128 4.875 3.468 -6.118 1.00 0.12 C ATOM 1283 O ASN A 128 4.011 4.330 -6.238 1.00 0.12 O ATOM 1284 CB ASN A 128 7.216 4.023 -6.756 1.00 0.20 C ATOM 1285 CG ASN A 128 8.565 4.636 -6.391 1.00 0.30 C ATOM 1286 OD1 ASN A 128 9.002 4.479 -5.148 1.00 0.82 O flip ATOM 1287 ND2 ASN A 128 9.209 5.260 -7.233 1.00 0.42 N flip ATOM 0 H ASN A 128 7.604 2.358 -4.923 1.00 0.12 H new ATOM 0 HA ASN A 128 6.203 4.760 -5.012 1.00 0.15 H new ATOM 0 HB2 ASN A 128 7.389 3.056 -7.228 1.00 0.20 H new ATOM 0 HB3 ASN A 128 6.734 4.659 -7.499 1.00 0.20 H new ATOM 0 HD21 ASN A 128 8.845 5.363 -8.180 1.00 0.42 H new ATOM 0 HD22 ASN A 128 10.107 5.675 -6.984 1.00 0.42 H new ATOM 1294 N GLU A 129 4.687 2.194 -6.453 1.00 0.11 N ATOM 1295 CA GLU A 129 3.406 1.693 -6.930 1.00 0.10 C ATOM 1296 C GLU A 129 2.299 1.998 -5.949 1.00 0.09 C ATOM 1297 O GLU A 129 1.354 2.699 -6.267 1.00 0.14 O ATOM 1298 CB GLU A 129 3.468 0.191 -7.120 1.00 0.14 C ATOM 1299 CG GLU A 129 2.823 -0.272 -8.396 1.00 0.26 C ATOM 1300 CD GLU A 129 1.383 0.171 -8.568 1.00 1.41 C ATOM 1301 OE1 GLU A 129 1.149 1.283 -9.087 1.00 2.29 O ATOM 1302 OE2 GLU A 129 0.479 -0.615 -8.214 1.00 1.55 O ATOM 0 H GLU A 129 5.417 1.484 -6.401 1.00 0.11 H new ATOM 0 HA GLU A 129 3.197 2.188 -7.878 1.00 0.10 H new ATOM 0 HB2 GLU A 129 4.511 -0.127 -7.111 1.00 0.14 H new ATOM 0 HB3 GLU A 129 2.979 -0.296 -6.276 1.00 0.14 H new ATOM 0 HG2 GLU A 129 3.407 0.098 -9.239 1.00 0.26 H new ATOM 0 HG3 GLU A 129 2.862 -1.361 -8.434 1.00 0.26 H new ATOM 1309 N LEU A 130 2.460 1.487 -4.748 1.00 0.07 N ATOM 1310 CA LEU A 130 1.466 1.631 -3.708 1.00 0.08 C ATOM 1311 C LEU A 130 1.258 3.104 -3.394 1.00 0.09 C ATOM 1312 O LEU A 130 0.135 3.555 -3.213 1.00 0.10 O ATOM 1313 CB LEU A 130 1.910 0.878 -2.464 1.00 0.08 C ATOM 1314 CG LEU A 130 0.771 0.318 -1.623 1.00 0.09 C ATOM 1315 CD1 LEU A 130 0.047 -0.784 -2.370 1.00 0.10 C ATOM 1316 CD2 LEU A 130 1.304 -0.196 -0.302 1.00 0.08 C ATOM 0 H LEU A 130 3.286 0.959 -4.465 1.00 0.07 H new ATOM 0 HA LEU A 130 0.520 1.211 -4.051 1.00 0.08 H new ATOM 0 HB2 LEU A 130 2.560 0.056 -2.765 1.00 0.08 H new ATOM 0 HB3 LEU A 130 2.507 1.547 -1.844 1.00 0.08 H new ATOM 0 HG LEU A 130 0.058 1.118 -1.425 1.00 0.09 H new ATOM 0 HD11 LEU A 130 -0.763 -1.171 -1.752 1.00 0.10 H new ATOM 0 HD12 LEU A 130 -0.363 -0.386 -3.298 1.00 0.10 H new ATOM 0 HD13 LEU A 130 0.746 -1.589 -2.598 1.00 0.10 H new ATOM 0 HD21 LEU A 130 0.481 -0.594 0.292 1.00 0.08 H new ATOM 0 HD22 LEU A 130 2.034 -0.984 -0.486 1.00 0.08 H new ATOM 0 HD23 LEU A 130 1.781 0.620 0.240 1.00 0.08 H new ATOM 1328 N CYS A 131 2.352 3.853 -3.365 1.00 0.11 N ATOM 1329 CA CYS A 131 2.300 5.295 -3.180 1.00 0.13 C ATOM 1330 C CYS A 131 1.456 5.944 -4.278 1.00 0.13 C ATOM 1331 O CYS A 131 0.607 6.794 -4.011 1.00 0.14 O ATOM 1332 CB CYS A 131 3.721 5.860 -3.197 1.00 0.18 C ATOM 1333 SG CYS A 131 3.824 7.649 -3.374 1.00 1.39 S ATOM 0 H CYS A 131 3.296 3.480 -3.469 1.00 0.11 H new ATOM 0 HA CYS A 131 1.836 5.517 -2.219 1.00 0.13 H new ATOM 0 HB2 CYS A 131 4.222 5.572 -2.273 1.00 0.18 H new ATOM 0 HB3 CYS A 131 4.271 5.396 -4.016 1.00 0.18 H new ATOM 0 HG CYS A 131 4.392 8.157 -2.321 1.00 1.39 H new ATOM 1339 N THR A 132 1.704 5.528 -5.509 1.00 0.12 N ATOM 1340 CA THR A 132 0.959 6.020 -6.661 1.00 0.14 C ATOM 1341 C THR A 132 -0.495 5.571 -6.576 1.00 0.11 C ATOM 1342 O THR A 132 -1.411 6.363 -6.759 1.00 0.15 O ATOM 1343 CB THR A 132 1.588 5.531 -7.980 1.00 0.17 C ATOM 1344 OG1 THR A 132 2.956 5.960 -8.044 1.00 0.20 O ATOM 1345 CG2 THR A 132 0.822 6.060 -9.184 1.00 0.24 C ATOM 0 H THR A 132 2.424 4.843 -5.740 1.00 0.12 H new ATOM 0 HA THR A 132 0.999 7.109 -6.650 1.00 0.14 H new ATOM 0 HB THR A 132 1.541 4.442 -8.003 1.00 0.17 H new ATOM 0 HG1 THR A 132 3.522 5.320 -7.564 1.00 0.20 H new ATOM 0 HG21 THR A 132 1.289 5.698 -10.100 1.00 0.24 H new ATOM 0 HG22 THR A 132 -0.210 5.711 -9.141 1.00 0.24 H new ATOM 0 HG23 THR A 132 0.837 7.150 -9.175 1.00 0.24 H new ATOM 1353 N VAL A 133 -0.675 4.295 -6.283 1.00 0.09 N ATOM 1354 CA VAL A 133 -1.976 3.709 -5.994 1.00 0.07 C ATOM 1355 C VAL A 133 -2.761 4.542 -4.995 1.00 0.07 C ATOM 1356 O VAL A 133 -3.919 4.892 -5.220 1.00 0.08 O ATOM 1357 CB VAL A 133 -1.780 2.295 -5.422 1.00 0.07 C ATOM 1358 CG1 VAL A 133 -3.003 1.807 -4.672 1.00 0.08 C ATOM 1359 CG2 VAL A 133 -1.421 1.330 -6.527 1.00 0.10 C ATOM 0 H VAL A 133 0.091 3.623 -6.238 1.00 0.09 H new ATOM 0 HA VAL A 133 -2.541 3.674 -6.925 1.00 0.07 H new ATOM 0 HB VAL A 133 -0.960 2.344 -4.706 1.00 0.07 H new ATOM 0 HG11 VAL A 133 -2.817 0.804 -4.286 1.00 0.08 H new ATOM 0 HG12 VAL A 133 -3.214 2.482 -3.842 1.00 0.08 H new ATOM 0 HG13 VAL A 133 -3.858 1.783 -5.347 1.00 0.08 H new ATOM 0 HG21 VAL A 133 -1.285 0.333 -6.109 1.00 0.10 H new ATOM 0 HG22 VAL A 133 -2.223 1.308 -7.265 1.00 0.10 H new ATOM 0 HG23 VAL A 133 -0.496 1.652 -7.005 1.00 0.10 H new ATOM 1369 N LEU A 134 -2.118 4.866 -3.899 1.00 0.10 N ATOM 1370 CA LEU A 134 -2.766 5.590 -2.830 1.00 0.11 C ATOM 1371 C LEU A 134 -2.970 7.046 -3.217 1.00 0.14 C ATOM 1372 O LEU A 134 -3.905 7.683 -2.762 1.00 0.18 O ATOM 1373 CB LEU A 134 -1.946 5.452 -1.557 1.00 0.12 C ATOM 1374 CG LEU A 134 -1.727 4.005 -1.111 1.00 0.12 C ATOM 1375 CD1 LEU A 134 -0.738 3.939 0.035 1.00 0.17 C ATOM 1376 CD2 LEU A 134 -3.046 3.362 -0.725 1.00 0.16 C ATOM 0 H LEU A 134 -1.140 4.638 -3.723 1.00 0.10 H new ATOM 0 HA LEU A 134 -3.754 5.167 -2.648 1.00 0.11 H new ATOM 0 HB2 LEU A 134 -0.976 5.925 -1.709 1.00 0.12 H new ATOM 0 HB3 LEU A 134 -2.444 5.997 -0.755 1.00 0.12 H new ATOM 0 HG LEU A 134 -1.308 3.448 -1.949 1.00 0.12 H new ATOM 0 HD11 LEU A 134 -0.598 2.901 0.335 1.00 0.17 H new ATOM 0 HD12 LEU A 134 0.217 4.356 -0.284 1.00 0.17 H new ATOM 0 HD13 LEU A 134 -1.121 4.512 0.879 1.00 0.17 H new ATOM 0 HD21 LEU A 134 -2.871 2.333 -0.410 1.00 0.16 H new ATOM 0 HD22 LEU A 134 -3.497 3.921 0.095 1.00 0.16 H new ATOM 0 HD23 LEU A 134 -3.719 3.370 -1.582 1.00 0.16 H new ATOM 1388 N LYS A 135 -2.100 7.563 -4.074 1.00 0.14 N ATOM 1389 CA LYS A 135 -2.256 8.889 -4.621 1.00 0.17 C ATOM 1390 C LYS A 135 -3.428 8.887 -5.585 1.00 0.15 C ATOM 1391 O LYS A 135 -4.123 9.885 -5.757 1.00 0.18 O ATOM 1392 CB LYS A 135 -0.982 9.290 -5.362 1.00 0.23 C ATOM 1393 CG LYS A 135 -0.536 10.703 -5.068 1.00 0.56 C ATOM 1394 CD LYS A 135 -1.643 11.698 -5.354 1.00 0.68 C ATOM 1395 CE LYS A 135 -1.907 11.858 -6.849 1.00 1.32 C ATOM 1396 NZ LYS A 135 -0.726 12.390 -7.579 1.00 1.82 N ATOM 0 H LYS A 135 -1.270 7.070 -4.404 1.00 0.14 H new ATOM 0 HA LYS A 135 -2.440 9.602 -3.817 1.00 0.17 H new ATOM 0 HB2 LYS A 135 -0.182 8.601 -5.092 1.00 0.23 H new ATOM 0 HB3 LYS A 135 -1.146 9.184 -6.434 1.00 0.23 H new ATOM 0 HG2 LYS A 135 -0.233 10.782 -4.024 1.00 0.56 H new ATOM 0 HG3 LYS A 135 0.338 10.944 -5.672 1.00 0.56 H new ATOM 0 HD2 LYS A 135 -2.558 11.373 -4.859 1.00 0.68 H new ATOM 0 HD3 LYS A 135 -1.377 12.666 -4.929 1.00 0.68 H new ATOM 0 HE2 LYS A 135 -2.187 10.893 -7.271 1.00 1.32 H new ATOM 0 HE3 LYS A 135 -2.754 12.528 -6.996 1.00 1.32 H new ATOM 0 HZ1 LYS A 135 -1.022 12.734 -8.515 1.00 1.82 H new ATOM 0 HZ2 LYS A 135 -0.308 13.174 -7.038 1.00 1.82 H new ATOM 0 HZ3 LYS A 135 -0.021 11.635 -7.696 1.00 1.82 H new ATOM 1410 N ALA A 136 -3.648 7.733 -6.181 1.00 0.13 N ATOM 1411 CA ALA A 136 -4.677 7.563 -7.169 1.00 0.14 C ATOM 1412 C ALA A 136 -6.035 7.430 -6.499 1.00 0.16 C ATOM 1413 O ALA A 136 -7.055 7.832 -7.048 1.00 0.21 O ATOM 1414 CB ALA A 136 -4.376 6.325 -8.000 1.00 0.17 C ATOM 0 H ALA A 136 -3.112 6.887 -5.988 1.00 0.13 H new ATOM 0 HA ALA A 136 -4.700 8.438 -7.819 1.00 0.14 H new ATOM 0 HB1 ALA A 136 -5.155 6.193 -8.751 1.00 0.17 H new ATOM 0 HB2 ALA A 136 -3.412 6.444 -8.494 1.00 0.17 H new ATOM 0 HB3 ALA A 136 -4.345 5.450 -7.351 1.00 0.17 H new ATOM 1420 N HIS A 137 -6.035 6.852 -5.306 1.00 0.18 N ATOM 1421 CA HIS A 137 -7.277 6.529 -4.618 1.00 0.23 C ATOM 1422 C HIS A 137 -7.266 7.058 -3.189 1.00 0.24 C ATOM 1423 O HIS A 137 -7.655 6.370 -2.246 1.00 0.25 O ATOM 1424 CB HIS A 137 -7.497 5.013 -4.637 1.00 0.24 C ATOM 1425 CG HIS A 137 -7.247 4.411 -5.988 1.00 0.26 C ATOM 1426 ND1 HIS A 137 -7.891 4.830 -7.129 1.00 0.29 N ATOM 1427 CD2 HIS A 137 -6.352 3.479 -6.388 1.00 0.30 C ATOM 1428 CE1 HIS A 137 -7.399 4.189 -8.171 1.00 0.32 C ATOM 1429 NE2 HIS A 137 -6.463 3.360 -7.748 1.00 0.34 N ATOM 0 H HIS A 137 -5.190 6.597 -4.795 1.00 0.18 H new ATOM 0 HA HIS A 137 -8.102 7.013 -5.140 1.00 0.23 H new ATOM 0 HB2 HIS A 137 -6.837 4.545 -3.907 1.00 0.24 H new ATOM 0 HB3 HIS A 137 -8.519 4.794 -4.329 1.00 0.24 H new ATOM 0 HD2 HIS A 137 -5.674 2.929 -5.752 1.00 0.30 H new ATOM 0 HE1 HIS A 137 -7.709 4.320 -9.197 1.00 0.32 H new ATOM 0 HE2 HIS A 137 -5.913 2.734 -8.337 1.00 0.34 H new ATOM 1438 N SER A 138 -6.805 8.288 -3.044 1.00 0.26 N ATOM 1439 CA SER A 138 -6.793 8.962 -1.761 1.00 0.30 C ATOM 1440 C SER A 138 -8.055 9.792 -1.568 1.00 0.36 C ATOM 1441 O SER A 138 -8.455 10.547 -2.456 1.00 0.56 O ATOM 1442 CB SER A 138 -5.559 9.844 -1.669 1.00 0.40 C ATOM 1443 OG SER A 138 -5.017 10.085 -2.954 1.00 1.23 O ATOM 0 H SER A 138 -6.430 8.845 -3.811 1.00 0.26 H new ATOM 0 HA SER A 138 -6.765 8.213 -0.970 1.00 0.30 H new ATOM 0 HB2 SER A 138 -5.818 10.791 -1.195 1.00 0.40 H new ATOM 0 HB3 SER A 138 -4.811 9.365 -1.037 1.00 0.40 H new ATOM 0 HG SER A 138 -4.495 9.306 -3.240 1.00 1.23 H new ATOM 1449 N ALA A 139 -8.670 9.664 -0.399 1.00 0.26 N ATOM 1450 CA ALA A 139 -9.914 10.352 -0.106 1.00 0.34 C ATOM 1451 C ALA A 139 -9.649 11.735 0.482 1.00 0.72 C ATOM 1452 O ALA A 139 -10.569 12.526 0.682 1.00 1.10 O ATOM 1453 CB ALA A 139 -10.733 9.533 0.878 1.00 0.26 C ATOM 0 H ALA A 139 -8.322 9.085 0.365 1.00 0.26 H new ATOM 0 HA ALA A 139 -10.466 10.472 -1.038 1.00 0.34 H new ATOM 0 HB1 ALA A 139 -11.666 10.053 1.096 1.00 0.26 H new ATOM 0 HB2 ALA A 139 -10.953 8.557 0.445 1.00 0.26 H new ATOM 0 HB3 ALA A 139 -10.168 9.401 1.800 1.00 0.26 H new ATOM 1459 N LYS A 140 -8.379 12.024 0.731 1.00 1.04 N ATOM 1460 CA LYS A 140 -7.997 13.209 1.487 1.00 1.45 C ATOM 1461 C LYS A 140 -7.008 14.070 0.699 1.00 1.34 C ATOM 1462 O LYS A 140 -6.138 14.722 1.271 1.00 1.80 O ATOM 1463 CB LYS A 140 -7.393 12.761 2.828 1.00 2.25 C ATOM 1464 CG LYS A 140 -7.171 13.874 3.846 1.00 3.01 C ATOM 1465 CD LYS A 140 -8.450 14.639 4.139 1.00 3.61 C ATOM 1466 CE LYS A 140 -8.340 15.435 5.430 1.00 4.40 C ATOM 1467 NZ LYS A 140 -7.162 16.344 5.439 1.00 4.94 N ATOM 0 H LYS A 140 -7.594 11.452 0.420 1.00 1.04 H new ATOM 0 HA LYS A 140 -8.878 13.824 1.671 1.00 1.45 H new ATOM 0 HB2 LYS A 140 -8.049 12.011 3.271 1.00 2.25 H new ATOM 0 HB3 LYS A 140 -6.438 12.274 2.633 1.00 2.25 H new ATOM 0 HG2 LYS A 140 -6.783 13.447 4.771 1.00 3.01 H new ATOM 0 HG3 LYS A 140 -6.414 14.563 3.471 1.00 3.01 H new ATOM 0 HD2 LYS A 140 -8.669 15.314 3.312 1.00 3.61 H new ATOM 0 HD3 LYS A 140 -9.284 13.941 4.211 1.00 3.61 H new ATOM 0 HE2 LYS A 140 -9.248 16.021 5.571 1.00 4.40 H new ATOM 0 HE3 LYS A 140 -8.271 14.747 6.273 1.00 4.40 H new ATOM 0 HZ1 LYS A 140 -7.223 16.983 6.257 1.00 4.94 H new ATOM 0 HZ2 LYS A 140 -6.290 15.781 5.503 1.00 4.94 H new ATOM 0 HZ3 LYS A 140 -7.149 16.904 4.563 1.00 4.94 H new ATOM 1481 N LYS A 141 -7.126 14.063 -0.622 1.00 1.51 N ATOM 1482 CA LYS A 141 -6.248 14.875 -1.452 1.00 2.10 C ATOM 1483 C LYS A 141 -6.561 16.360 -1.307 1.00 2.90 C ATOM 1484 O LYS A 141 -5.741 17.118 -0.783 1.00 3.44 O ATOM 1485 CB LYS A 141 -6.355 14.473 -2.926 1.00 2.17 C ATOM 1486 CG LYS A 141 -5.979 13.029 -3.201 1.00 2.04 C ATOM 1487 CD LYS A 141 -5.972 12.725 -4.692 1.00 2.31 C ATOM 1488 CE LYS A 141 -7.344 12.930 -5.317 1.00 3.03 C ATOM 1489 NZ LYS A 141 -8.334 11.933 -4.835 1.00 3.84 N ATOM 0 H LYS A 141 -7.812 13.511 -1.137 1.00 1.51 H new ATOM 0 HA LYS A 141 -5.229 14.697 -1.107 1.00 2.10 H new ATOM 0 HB2 LYS A 141 -7.377 14.642 -3.265 1.00 2.17 H new ATOM 0 HB3 LYS A 141 -5.711 15.124 -3.517 1.00 2.17 H new ATOM 0 HG2 LYS A 141 -4.994 12.823 -2.783 1.00 2.04 H new ATOM 0 HG3 LYS A 141 -6.684 12.367 -2.698 1.00 2.04 H new ATOM 0 HD2 LYS A 141 -5.246 13.367 -5.190 1.00 2.31 H new ATOM 0 HD3 LYS A 141 -5.650 11.696 -4.852 1.00 2.31 H new ATOM 0 HE2 LYS A 141 -7.700 13.934 -5.087 1.00 3.03 H new ATOM 0 HE3 LYS A 141 -7.261 12.862 -6.402 1.00 3.03 H new ATOM 0 HZ1 LYS A 141 -9.202 12.422 -4.537 1.00 3.84 H new ATOM 0 HZ2 LYS A 141 -8.557 11.267 -5.602 1.00 3.84 H new ATOM 0 HZ3 LYS A 141 -7.937 11.411 -4.028 1.00 3.84 H new ATOM 1503 N LYS A 142 -7.740 16.762 -1.810 1.00 3.43 N ATOM 1504 CA LYS A 142 -8.182 18.169 -1.813 1.00 4.37 C ATOM 1505 C LYS A 142 -7.442 18.916 -2.917 1.00 4.96 C ATOM 1506 O LYS A 142 -8.044 19.482 -3.829 1.00 5.45 O ATOM 1507 CB LYS A 142 -7.916 18.860 -0.463 1.00 5.00 C ATOM 1508 CG LYS A 142 -8.564 18.200 0.734 1.00 5.31 C ATOM 1509 CD LYS A 142 -9.954 18.753 1.025 1.00 5.43 C ATOM 1510 CE LYS A 142 -10.922 18.537 -0.125 1.00 6.16 C ATOM 1511 NZ LYS A 142 -12.257 19.118 0.165 1.00 6.56 N ATOM 0 H LYS A 142 -8.415 16.121 -2.227 1.00 3.43 H new ATOM 0 HA LYS A 142 -9.258 18.186 -1.987 1.00 4.37 H new ATOM 0 HB2 LYS A 142 -6.839 18.899 -0.298 1.00 5.00 H new ATOM 0 HB3 LYS A 142 -8.267 19.890 -0.524 1.00 5.00 H new ATOM 0 HG2 LYS A 142 -8.633 17.126 0.559 1.00 5.31 H new ATOM 0 HG3 LYS A 142 -7.930 18.341 1.610 1.00 5.31 H new ATOM 0 HD2 LYS A 142 -10.350 18.277 1.922 1.00 5.43 H new ATOM 0 HD3 LYS A 142 -9.879 19.820 1.237 1.00 5.43 H new ATOM 0 HE2 LYS A 142 -10.518 18.989 -1.031 1.00 6.16 H new ATOM 0 HE3 LYS A 142 -11.024 17.469 -0.319 1.00 6.16 H new ATOM 0 HZ1 LYS A 142 -12.891 18.951 -0.642 1.00 6.56 H new ATOM 0 HZ2 LYS A 142 -12.654 18.669 1.015 1.00 6.56 H new ATOM 0 HZ3 LYS A 142 -12.163 20.141 0.326 1.00 6.56 H new ATOM 1525 N LEU A 143 -6.126 18.879 -2.804 1.00 5.33 N ATOM 1526 CA LEU A 143 -5.209 19.449 -3.781 1.00 6.23 C ATOM 1527 C LEU A 143 -3.788 19.021 -3.419 1.00 7.01 C ATOM 1528 O LEU A 143 -2.974 18.732 -4.296 1.00 7.76 O ATOM 1529 CB LEU A 143 -5.309 20.988 -3.851 1.00 6.61 C ATOM 1530 CG LEU A 143 -4.738 21.774 -2.659 1.00 6.79 C ATOM 1531 CD1 LEU A 143 -4.602 23.245 -3.020 1.00 7.64 C ATOM 1532 CD2 LEU A 143 -5.613 21.624 -1.424 1.00 6.92 C ATOM 0 H LEU A 143 -5.652 18.442 -2.013 1.00 5.33 H new ATOM 0 HA LEU A 143 -5.479 19.076 -4.769 1.00 6.23 H new ATOM 0 HB2 LEU A 143 -4.798 21.321 -4.754 1.00 6.61 H new ATOM 0 HB3 LEU A 143 -6.360 21.256 -3.963 1.00 6.61 H new ATOM 0 HG LEU A 143 -3.755 21.364 -2.429 1.00 6.79 H new ATOM 0 HD11 LEU A 143 -4.197 23.793 -2.169 1.00 7.64 H new ATOM 0 HD12 LEU A 143 -3.930 23.350 -3.872 1.00 7.64 H new ATOM 0 HD13 LEU A 143 -5.581 23.648 -3.278 1.00 7.64 H new ATOM 0 HD21 LEU A 143 -5.180 22.192 -0.600 1.00 6.92 H new ATOM 0 HD22 LEU A 143 -6.613 22.001 -1.639 1.00 6.92 H new ATOM 0 HD23 LEU A 143 -5.673 20.572 -1.147 1.00 6.92 H new ATOM 1544 N ASN A 144 -3.526 18.961 -2.106 1.00 7.08 N ATOM 1545 CA ASN A 144 -2.250 18.494 -1.566 1.00 8.03 C ATOM 1546 C ASN A 144 -1.094 19.362 -2.049 1.00 8.20 C ATOM 1547 O ASN A 144 -0.836 20.400 -1.411 1.00 8.61 O ATOM 1548 CB ASN A 144 -2.006 17.025 -1.934 1.00 8.72 C ATOM 1549 CG ASN A 144 -0.744 16.462 -1.309 1.00 9.25 C ATOM 1550 OD1 ASN A 144 -0.096 15.576 -1.873 1.00 9.46 O ATOM 1551 ND2 ASN A 144 -0.392 16.947 -0.125 1.00 9.73 N ATOM 1552 OXT ASN A 144 -0.439 18.999 -3.051 1.00 8.17 O ATOM 0 H ASN A 144 -4.198 19.237 -1.390 1.00 7.08 H new ATOM 0 HA ASN A 144 -2.303 18.575 -0.480 1.00 8.03 H new ATOM 0 HB2 ASN A 144 -2.861 16.429 -1.615 1.00 8.72 H new ATOM 0 HB3 ASN A 144 -1.941 16.933 -3.018 1.00 8.72 H new ATOM 0 HD21 ASN A 144 0.437 16.587 0.347 1.00 9.73 H new ATOM 0 HD22 ASN A 144 -0.951 17.680 0.313 1.00 9.73 H new TER 1559 ASN A 144