USER MOD reduce.3.24.130724 H: found=0, std=0, add=987, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 987 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 78 TYR OH : rot 166:sc= 0.35 USER MOD Set 1.2: A 82 LYS NZ :NH3+ -165:sc= 0.899 (180deg=0.473) USER MOD Set 2.1: A 69 HIS : no HE2:sc= -1.96! C(o=-1.8!,f=-2.5!) USER MOD Set 2.2: A 71 GLN : amide:sc= 0.149 K(o=-1.8,f=-7.3!) USER MOD Set 3.1: A 23 THR OG1 : rot 132:sc= 0.21 USER MOD Set 3.2: A 37 ASN : amide:sc= 0.111 K(o=0.98,f=-8!) USER MOD Set 3.3: A 127 HIS : no HE2:sc= 0.656 K(o=0.98,f=-3.5!) USER MOD Set 4.1: A 27 LYS NZ :NH3+ -170:sc= -0.0131 (180deg=-0.126) USER MOD Set 4.2: A 28 ASN : amide:sc= 0 X(o=-0.013,f=-0.33) USER MOD Single : A 1 MET CE :methyl -105:sc= -0.362 (180deg=-1.86) USER MOD Single : A 1 MET N :NH3+ -109:sc= 0.685 (180deg=-0.0468) USER MOD Single : A 2 LYS NZ :NH3+ -159:sc= -0.109 (180deg=-0.583) USER MOD Single : A 5 THR OG1 : rot 155:sc= 0.244 USER MOD Single : A 6 TYR OH : rot 159:sc= 0.0943 USER MOD Single : A 7 TYR OH : rot 172:sc= 0.644 USER MOD Single : A 16 SER OG : rot -82:sc= -1.55 USER MOD Single : A 19 LYS NZ :NH3+ 179:sc= 1.92 (180deg=1.92) USER MOD Single : A 21 THR OG1 : rot 154:sc= -0.963 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= -0.0141 USER MOD Single : A 40 ASN : amide:sc= -3.62! C(o=-3.6!,f=-4.3!) USER MOD Single : A 41 LYS NZ :NH3+ -172:sc=-0.00143 (180deg=-0.0961) USER MOD Single : A 47 LYS NZ :NH3+ 160:sc= 0.45 (180deg=0.147) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 56 TYR OH : rot -139:sc= -0.658 USER MOD Single : A 57 LYS NZ :NH3+ -167:sc= 0.815 (180deg=0.667) USER MOD Single : A 58 MET CE :methyl -119:sc= -1.11 (180deg=-1.51) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.0534 X(o=-0.053,f=-0.053) USER MOD Single : A 74 LYS NZ :NH3+ 177:sc= 0.275 (180deg=0.219) USER MOD Single : A 83 GLN : amide:sc= -2.95! C(o=-2.9!,f=-5.2!) USER MOD Single : A 86 THR OG1 : rot -11:sc= 0.318 USER MOD Single : A 89 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.062) USER MOD Single : A 90 TYR OH : rot 38:sc= -0.603 USER MOD Single : A 91 LYS NZ :NH3+ 141:sc= -0.41 (180deg=-2.21!) USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 HIS : no HD1:sc= 0.412 K(o=0.41,f=-2.6!) USER MOD Single : A 97 THR OG1 : rot -160:sc= 0 USER MOD Single : A 101 SER OG : rot -18:sc= 0.0179 USER MOD Single : A 104 THR OG1 : rot -33:sc= 0.35 USER MOD Single : A 106 LYS NZ :NH3+ 171:sc= -0.0188 (180deg=-0.15) USER MOD Single : A 108 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0222) USER MOD Single : A 109 LYS NZ :NH3+ -112:sc= 0.125 (180deg=0) USER MOD Single : A 115 GLN : amide:sc= -0.111 X(o=-0.11,f=-0.53) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 LYS NZ :NH3+ 141:sc= 0.0918 (180deg=0) USER MOD Single : A 126 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 128 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 129 HIS : no HD1:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 130 HIS : no HD1:sc= 0 X(o=0,f=-0.002) USER MOD Single : A 131 HIS : no HD1:sc= -0.0139 X(o=-0.014,f=-0.012) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.655 -8.160 16.095 1.00 50.35 N ATOM 2 CA MET A 1 3.842 -8.978 14.880 1.00 32.40 C ATOM 3 C MET A 1 5.069 -9.857 15.033 1.00 42.43 C ATOM 4 O MET A 1 6.015 -9.493 15.737 1.00 31.02 O ATOM 5 CB MET A 1 4.016 -8.107 13.629 1.00 33.10 C ATOM 6 CG MET A 1 2.904 -7.102 13.391 1.00 54.11 C ATOM 7 SD MET A 1 3.204 -5.510 14.190 1.00 23.15 S ATOM 8 CE MET A 1 4.677 -4.969 13.319 1.00 63.13 C ATOM 0 H1 MET A 1 2.826 -8.504 16.621 1.00 50.35 H new ATOM 0 H2 MET A 1 4.501 -8.233 16.696 1.00 50.35 H new ATOM 0 H3 MET A 1 3.506 -7.167 15.825 1.00 50.35 H new ATOM 0 HA MET A 1 2.947 -9.588 14.758 1.00 32.40 H new ATOM 0 HB2 MET A 1 4.961 -7.570 13.707 1.00 33.10 H new ATOM 0 HB3 MET A 1 4.090 -8.758 12.758 1.00 33.10 H new ATOM 0 HG2 MET A 1 2.786 -6.947 12.319 1.00 54.11 H new ATOM 0 HG3 MET A 1 1.965 -7.515 13.759 1.00 54.11 H new ATOM 0 HE1 MET A 1 5.546 -5.084 13.967 1.00 63.13 H new ATOM 0 HE2 MET A 1 4.811 -5.573 12.421 1.00 63.13 H new ATOM 0 HE3 MET A 1 4.570 -3.921 13.039 1.00 63.13 H new ATOM 20 N LYS A 2 5.051 -11.006 14.378 1.00 14.22 N ATOM 21 CA LYS A 2 6.206 -11.892 14.341 1.00 71.23 C ATOM 22 C LYS A 2 6.893 -11.767 12.995 1.00 74.42 C ATOM 23 O LYS A 2 6.455 -10.974 12.159 1.00 14.54 O ATOM 24 CB LYS A 2 5.783 -13.337 14.593 1.00 23.35 C ATOM 25 CG LYS A 2 5.224 -13.558 15.982 1.00 20.45 C ATOM 26 CD LYS A 2 5.087 -15.027 16.300 1.00 32.01 C ATOM 27 CE LYS A 2 4.694 -15.241 17.750 1.00 12.42 C ATOM 28 NZ LYS A 2 5.696 -14.667 18.690 1.00 61.14 N ATOM 0 H LYS A 2 4.243 -11.350 13.860 1.00 14.22 H new ATOM 0 HA LYS A 2 6.903 -11.603 15.128 1.00 71.23 H new ATOM 0 HB2 LYS A 2 5.033 -13.624 13.856 1.00 23.35 H new ATOM 0 HB3 LYS A 2 6.642 -13.992 14.445 1.00 23.35 H new ATOM 0 HG2 LYS A 2 5.876 -13.086 16.716 1.00 20.45 H new ATOM 0 HG3 LYS A 2 4.250 -13.075 16.064 1.00 20.45 H new ATOM 0 HD2 LYS A 2 4.337 -15.474 15.648 1.00 32.01 H new ATOM 0 HD3 LYS A 2 6.030 -15.535 16.097 1.00 32.01 H new ATOM 0 HE2 LYS A 2 3.722 -14.784 17.933 1.00 12.42 H new ATOM 0 HE3 LYS A 2 4.586 -16.308 17.943 1.00 12.42 H new ATOM 0 HZ1 LYS A 2 5.599 -15.121 19.621 1.00 61.14 H new ATOM 0 HZ2 LYS A 2 6.654 -14.835 18.322 1.00 61.14 H new ATOM 0 HZ3 LYS A 2 5.536 -13.644 18.785 1.00 61.14 H new ATOM 42 N ASP A 3 7.960 -12.539 12.771 1.00 43.40 N ATOM 43 CA ASP A 3 8.638 -12.507 11.484 1.00 44.45 C ATOM 44 C ASP A 3 7.752 -13.175 10.428 1.00 33.10 C ATOM 45 O ASP A 3 7.297 -14.314 10.570 1.00 14.10 O ATOM 46 CB ASP A 3 10.070 -13.100 11.549 1.00 22.12 C ATOM 47 CG ASP A 3 10.158 -14.618 11.569 1.00 32.00 C ATOM 48 OD1 ASP A 3 9.852 -15.229 12.611 1.00 32.44 O ATOM 49 OD2 ASP A 3 10.556 -15.201 10.538 1.00 52.34 O ATOM 0 H ASP A 3 8.363 -13.181 13.454 1.00 43.40 H new ATOM 0 HA ASP A 3 8.788 -11.468 11.191 1.00 44.45 H new ATOM 0 HB2 ASP A 3 10.634 -12.734 10.691 1.00 22.12 H new ATOM 0 HB3 ASP A 3 10.562 -12.715 12.442 1.00 22.12 H new ATOM 54 N GLY A 4 7.419 -12.381 9.437 1.00 63.42 N ATOM 55 CA GLY A 4 6.516 -12.780 8.394 1.00 2.31 C ATOM 56 C GLY A 4 6.068 -11.571 7.619 1.00 30.22 C ATOM 57 O GLY A 4 6.040 -10.459 8.159 1.00 73.34 O ATOM 0 H GLY A 4 7.774 -11.430 9.335 1.00 63.42 H new ATOM 0 HA2 GLY A 4 7.006 -13.490 7.728 1.00 2.31 H new ATOM 0 HA3 GLY A 4 5.653 -13.289 8.823 1.00 2.31 H new ATOM 61 N THR A 5 5.734 -11.765 6.365 1.00 53.30 N ATOM 62 CA THR A 5 5.349 -10.664 5.522 1.00 4.45 C ATOM 63 C THR A 5 3.831 -10.600 5.452 1.00 41.33 C ATOM 64 O THR A 5 3.176 -11.505 4.937 1.00 34.50 O ATOM 65 CB THR A 5 5.957 -10.803 4.124 1.00 41.33 C ATOM 66 OG1 THR A 5 7.269 -11.381 4.208 1.00 25.10 O ATOM 67 CG2 THR A 5 6.066 -9.457 3.444 1.00 4.21 C ATOM 0 H THR A 5 5.722 -12.677 5.908 1.00 53.30 H new ATOM 0 HA THR A 5 5.729 -9.736 5.948 1.00 4.45 H new ATOM 0 HB THR A 5 5.300 -11.449 3.541 1.00 41.33 H new ATOM 0 HG1 THR A 5 7.482 -11.834 3.365 1.00 25.10 H new ATOM 0 HG21 THR A 5 6.501 -9.584 2.453 1.00 4.21 H new ATOM 0 HG22 THR A 5 5.074 -9.015 3.351 1.00 4.21 H new ATOM 0 HG23 THR A 5 6.702 -8.800 4.037 1.00 4.21 H new ATOM 75 N TYR A 6 3.295 -9.544 6.023 1.00 73.51 N ATOM 76 CA TYR A 6 1.868 -9.395 6.213 1.00 44.44 C ATOM 77 C TYR A 6 1.306 -8.418 5.214 1.00 72.11 C ATOM 78 O TYR A 6 1.617 -7.246 5.272 1.00 12.15 O ATOM 79 CB TYR A 6 1.590 -8.892 7.630 1.00 60.11 C ATOM 80 CG TYR A 6 2.144 -9.787 8.708 1.00 23.24 C ATOM 81 CD1 TYR A 6 1.742 -11.107 8.808 1.00 71.23 C ATOM 82 CD2 TYR A 6 3.074 -9.313 9.616 1.00 42.15 C ATOM 83 CE1 TYR A 6 2.257 -11.932 9.776 1.00 63.10 C ATOM 84 CE2 TYR A 6 3.592 -10.134 10.594 1.00 33.34 C ATOM 85 CZ TYR A 6 3.181 -11.445 10.670 1.00 41.54 C ATOM 86 OH TYR A 6 3.690 -12.271 11.645 1.00 73.42 O ATOM 0 H TYR A 6 3.842 -8.757 6.372 1.00 73.51 H new ATOM 0 HA TYR A 6 1.391 -10.364 6.067 1.00 44.44 H new ATOM 0 HB2 TYR A 6 2.016 -7.895 7.743 1.00 60.11 H new ATOM 0 HB3 TYR A 6 0.513 -8.796 7.767 1.00 60.11 H new ATOM 0 HD1 TYR A 6 1.011 -11.494 8.113 1.00 71.23 H new ATOM 0 HD2 TYR A 6 3.399 -8.285 9.557 1.00 42.15 H new ATOM 0 HE1 TYR A 6 1.937 -12.962 9.835 1.00 63.10 H new ATOM 0 HE2 TYR A 6 4.317 -9.751 11.297 1.00 33.34 H new ATOM 0 HH TYR A 6 4.541 -11.909 11.969 1.00 73.42 H new ATOM 96 N TYR A 7 0.496 -8.893 4.296 1.00 10.44 N ATOM 97 CA TYR A 7 -0.126 -8.009 3.332 1.00 61.21 C ATOM 98 C TYR A 7 -1.603 -7.830 3.674 1.00 32.45 C ATOM 99 O TYR A 7 -2.187 -8.642 4.400 1.00 51.53 O ATOM 100 CB TYR A 7 0.058 -8.544 1.886 1.00 1.15 C ATOM 101 CG TYR A 7 -1.044 -9.455 1.376 1.00 71.13 C ATOM 102 CD1 TYR A 7 -1.110 -10.786 1.749 1.00 51.54 C ATOM 103 CD2 TYR A 7 -2.035 -8.953 0.546 1.00 24.14 C ATOM 104 CE1 TYR A 7 -2.133 -11.595 1.310 1.00 15.01 C ATOM 105 CE2 TYR A 7 -3.065 -9.746 0.110 1.00 25.13 C ATOM 106 CZ TYR A 7 -3.111 -11.073 0.493 1.00 24.15 C ATOM 107 OH TYR A 7 -4.141 -11.879 0.067 1.00 5.10 O ATOM 0 H TYR A 7 0.252 -9.878 4.195 1.00 10.44 H new ATOM 0 HA TYR A 7 0.362 -7.035 3.380 1.00 61.21 H new ATOM 0 HB2 TYR A 7 0.141 -7.692 1.211 1.00 1.15 H new ATOM 0 HB3 TYR A 7 1.003 -9.084 1.836 1.00 1.15 H new ATOM 0 HD1 TYR A 7 -0.347 -11.196 2.394 1.00 51.54 H new ATOM 0 HD2 TYR A 7 -1.995 -7.919 0.237 1.00 24.14 H new ATOM 0 HE1 TYR A 7 -2.169 -12.633 1.605 1.00 15.01 H new ATOM 0 HE2 TYR A 7 -3.834 -9.337 -0.528 1.00 25.13 H new ATOM 0 HH TYR A 7 -4.813 -11.335 -0.393 1.00 5.10 H new ATOM 117 N ALA A 8 -2.187 -6.770 3.157 1.00 23.45 N ATOM 118 CA ALA A 8 -3.624 -6.612 3.153 1.00 60.24 C ATOM 119 C ALA A 8 -4.050 -6.001 1.846 1.00 3.43 C ATOM 120 O ALA A 8 -3.358 -5.149 1.305 1.00 33.35 O ATOM 121 CB ALA A 8 -4.085 -5.760 4.302 1.00 30.44 C ATOM 0 H ALA A 8 -1.680 -5.996 2.729 1.00 23.45 H new ATOM 0 HA ALA A 8 -4.083 -7.594 3.268 1.00 60.24 H new ATOM 0 HB1 ALA A 8 -5.170 -5.661 4.269 1.00 30.44 H new ATOM 0 HB2 ALA A 8 -3.791 -6.227 5.242 1.00 30.44 H new ATOM 0 HB3 ALA A 8 -3.629 -4.773 4.229 1.00 30.44 H new ATOM 127 N GLU A 9 -5.192 -6.422 1.354 1.00 34.20 N ATOM 128 CA GLU A 9 -5.680 -5.976 0.066 1.00 32.44 C ATOM 129 C GLU A 9 -6.922 -5.131 0.237 1.00 23.53 C ATOM 130 O GLU A 9 -7.665 -5.288 1.219 1.00 53.52 O ATOM 131 CB GLU A 9 -5.980 -7.182 -0.830 1.00 11.44 C ATOM 132 CG GLU A 9 -6.889 -8.217 -0.193 1.00 11.44 C ATOM 133 CD GLU A 9 -7.072 -9.442 -1.055 1.00 31.44 C ATOM 134 OE1 GLU A 9 -6.089 -10.159 -1.295 1.00 24.00 O ATOM 135 OE2 GLU A 9 -8.211 -9.712 -1.470 1.00 50.33 O ATOM 0 H GLU A 9 -5.808 -7.080 1.831 1.00 34.20 H new ATOM 0 HA GLU A 9 -4.909 -5.368 -0.408 1.00 32.44 H new ATOM 0 HB2 GLU A 9 -6.440 -6.830 -1.753 1.00 11.44 H new ATOM 0 HB3 GLU A 9 -5.040 -7.660 -1.104 1.00 11.44 H new ATOM 0 HG2 GLU A 9 -6.475 -8.514 0.770 1.00 11.44 H new ATOM 0 HG3 GLU A 9 -7.862 -7.768 0.004 1.00 11.44 H new ATOM 142 N ALA A 10 -7.111 -4.196 -0.694 1.00 41.34 N ATOM 143 CA ALA A 10 -8.305 -3.362 -0.739 1.00 64.40 C ATOM 144 C ALA A 10 -9.536 -4.226 -0.966 1.00 1.45 C ATOM 145 O ALA A 10 -9.445 -5.252 -1.636 1.00 50.20 O ATOM 146 CB ALA A 10 -8.169 -2.319 -1.834 1.00 22.12 C ATOM 0 H ALA A 10 -6.440 -3.998 -1.436 1.00 41.34 H new ATOM 0 HA ALA A 10 -8.418 -2.847 0.215 1.00 64.40 H new ATOM 0 HB1 ALA A 10 -9.066 -1.700 -1.860 1.00 22.12 H new ATOM 0 HB2 ALA A 10 -7.301 -1.691 -1.633 1.00 22.12 H new ATOM 0 HB3 ALA A 10 -8.042 -2.816 -2.796 1.00 22.12 H new ATOM 152 N ASP A 11 -10.659 -3.838 -0.364 1.00 23.41 N ATOM 153 CA ASP A 11 -11.900 -4.627 -0.427 1.00 30.42 C ATOM 154 C ASP A 11 -12.376 -4.798 -1.861 1.00 64.24 C ATOM 155 O ASP A 11 -12.544 -5.922 -2.334 1.00 31.32 O ATOM 156 CB ASP A 11 -13.003 -3.986 0.424 1.00 21.32 C ATOM 157 CG ASP A 11 -12.656 -3.952 1.898 1.00 73.31 C ATOM 158 OD1 ASP A 11 -12.928 -4.943 2.605 1.00 13.22 O ATOM 159 OD2 ASP A 11 -12.091 -2.939 2.350 1.00 54.52 O ATOM 0 H ASP A 11 -10.740 -2.977 0.177 1.00 23.41 H new ATOM 0 HA ASP A 11 -11.678 -5.614 -0.022 1.00 30.42 H new ATOM 0 HB2 ASP A 11 -13.183 -2.970 0.073 1.00 21.32 H new ATOM 0 HB3 ASP A 11 -13.932 -4.540 0.286 1.00 21.32 H new ATOM 164 N ASP A 12 -12.530 -3.685 -2.557 1.00 23.55 N ATOM 165 CA ASP A 12 -12.901 -3.699 -3.963 1.00 21.55 C ATOM 166 C ASP A 12 -11.829 -2.992 -4.790 1.00 32.40 C ATOM 167 O ASP A 12 -10.871 -2.445 -4.235 1.00 13.14 O ATOM 168 CB ASP A 12 -14.281 -3.052 -4.174 1.00 25.12 C ATOM 169 CG ASP A 12 -14.336 -1.576 -3.812 1.00 72.03 C ATOM 170 OD1 ASP A 12 -14.437 -1.259 -2.610 1.00 41.52 O ATOM 171 OD2 ASP A 12 -14.294 -0.737 -4.731 1.00 0.45 O ATOM 0 H ASP A 12 -12.403 -2.751 -2.167 1.00 23.55 H new ATOM 0 HA ASP A 12 -12.971 -4.734 -4.297 1.00 21.55 H new ATOM 0 HB2 ASP A 12 -14.570 -3.170 -5.218 1.00 25.12 H new ATOM 0 HB3 ASP A 12 -15.018 -3.589 -3.577 1.00 25.12 H new ATOM 176 N PHE A 13 -11.987 -3.025 -6.108 1.00 1.41 N ATOM 177 CA PHE A 13 -11.027 -2.418 -7.026 1.00 15.42 C ATOM 178 C PHE A 13 -11.211 -0.907 -7.058 1.00 74.04 C ATOM 179 O PHE A 13 -12.253 -0.406 -7.476 1.00 43.20 O ATOM 180 CB PHE A 13 -11.188 -3.001 -8.433 1.00 31.44 C ATOM 181 CG PHE A 13 -10.973 -4.487 -8.504 1.00 0.22 C ATOM 182 CD1 PHE A 13 -9.694 -5.006 -8.555 1.00 64.44 C ATOM 183 CD2 PHE A 13 -12.049 -5.364 -8.528 1.00 41.42 C ATOM 184 CE1 PHE A 13 -9.488 -6.368 -8.628 1.00 34.55 C ATOM 185 CE2 PHE A 13 -11.848 -6.727 -8.600 1.00 32.24 C ATOM 186 CZ PHE A 13 -10.564 -7.230 -8.652 1.00 51.13 C ATOM 0 H PHE A 13 -12.780 -3.471 -6.570 1.00 1.41 H new ATOM 0 HA PHE A 13 -10.021 -2.641 -6.672 1.00 15.42 H new ATOM 0 HB2 PHE A 13 -12.188 -2.770 -8.799 1.00 31.44 H new ATOM 0 HB3 PHE A 13 -10.482 -2.509 -9.103 1.00 31.44 H new ATOM 0 HD1 PHE A 13 -8.846 -4.338 -8.538 1.00 64.44 H new ATOM 0 HD2 PHE A 13 -13.056 -4.975 -8.490 1.00 41.42 H new ATOM 0 HE1 PHE A 13 -8.482 -6.760 -8.666 1.00 34.55 H new ATOM 0 HE2 PHE A 13 -12.694 -7.399 -8.616 1.00 32.24 H new ATOM 0 HZ PHE A 13 -10.402 -8.296 -8.711 1.00 51.13 H new ATOM 196 N ASP A 14 -10.184 -0.192 -6.628 1.00 54.41 N ATOM 197 CA ASP A 14 -10.269 1.251 -6.456 1.00 61.02 C ATOM 198 C ASP A 14 -9.604 1.968 -7.628 1.00 74.21 C ATOM 199 O ASP A 14 -8.727 1.406 -8.283 1.00 12.42 O ATOM 200 CB ASP A 14 -9.599 1.670 -5.144 1.00 44.11 C ATOM 201 CG ASP A 14 -10.323 2.801 -4.429 1.00 44.02 C ATOM 202 OD1 ASP A 14 -10.059 3.977 -4.733 1.00 41.35 O ATOM 203 OD2 ASP A 14 -11.148 2.515 -3.540 1.00 60.23 O ATOM 0 H ASP A 14 -9.275 -0.590 -6.390 1.00 54.41 H new ATOM 0 HA ASP A 14 -11.322 1.531 -6.423 1.00 61.02 H new ATOM 0 HB2 ASP A 14 -9.545 0.807 -4.481 1.00 44.11 H new ATOM 0 HB3 ASP A 14 -8.574 1.978 -5.350 1.00 44.11 H new ATOM 208 N GLU A 15 -10.045 3.215 -7.812 1.00 64.44 N ATOM 209 CA GLU A 15 -9.629 4.171 -8.859 1.00 32.21 C ATOM 210 C GLU A 15 -9.478 3.587 -10.265 1.00 11.24 C ATOM 211 O GLU A 15 -10.430 3.573 -11.040 1.00 10.51 O ATOM 212 CB GLU A 15 -8.360 4.918 -8.427 1.00 63.14 C ATOM 213 CG GLU A 15 -8.509 5.681 -7.115 1.00 22.22 C ATOM 214 CD GLU A 15 -9.516 6.820 -7.182 1.00 53.54 C ATOM 215 OE1 GLU A 15 -10.734 6.552 -7.192 1.00 44.33 O ATOM 216 OE2 GLU A 15 -9.087 7.991 -7.225 1.00 21.03 O ATOM 0 H GLU A 15 -10.750 3.618 -7.195 1.00 64.44 H new ATOM 0 HA GLU A 15 -10.460 4.870 -8.951 1.00 32.21 H new ATOM 0 HB2 GLU A 15 -7.544 4.202 -8.329 1.00 63.14 H new ATOM 0 HB3 GLU A 15 -8.077 5.618 -9.213 1.00 63.14 H new ATOM 0 HG2 GLU A 15 -8.812 4.985 -6.332 1.00 22.22 H new ATOM 0 HG3 GLU A 15 -7.538 6.083 -6.826 1.00 22.22 H new ATOM 223 N SER A 16 -8.297 3.082 -10.561 1.00 45.54 N ATOM 224 CA SER A 16 -7.938 2.615 -11.898 1.00 32.21 C ATOM 225 C SER A 16 -8.088 1.095 -12.035 1.00 54.03 C ATOM 226 O SER A 16 -7.520 0.477 -12.946 1.00 53.45 O ATOM 227 CB SER A 16 -6.508 3.059 -12.220 1.00 42.24 C ATOM 228 OG SER A 16 -5.658 2.856 -11.107 1.00 55.03 O ATOM 0 H SER A 16 -7.547 2.980 -9.877 1.00 45.54 H new ATOM 0 HA SER A 16 -8.627 3.060 -12.616 1.00 32.21 H new ATOM 0 HB2 SER A 16 -6.133 2.500 -13.077 1.00 42.24 H new ATOM 0 HB3 SER A 16 -6.503 4.112 -12.500 1.00 42.24 H new ATOM 0 HG SER A 16 -5.753 3.605 -10.482 1.00 55.03 H new ATOM 234 N GLY A 17 -8.899 0.510 -11.157 1.00 62.42 N ATOM 235 CA GLY A 17 -9.206 -0.905 -11.228 1.00 20.11 C ATOM 236 C GLY A 17 -8.135 -1.769 -10.611 1.00 2.50 C ATOM 237 O GLY A 17 -7.697 -2.756 -11.208 1.00 5.01 O ATOM 0 H GLY A 17 -9.354 1.001 -10.388 1.00 62.42 H new ATOM 0 HA2 GLY A 17 -10.153 -1.092 -10.722 1.00 20.11 H new ATOM 0 HA3 GLY A 17 -9.340 -1.191 -12.271 1.00 20.11 H new ATOM 241 N TRP A 18 -7.694 -1.382 -9.426 1.00 53.15 N ATOM 242 CA TRP A 18 -6.694 -2.138 -8.700 1.00 44.53 C ATOM 243 C TRP A 18 -7.126 -2.327 -7.256 1.00 73.04 C ATOM 244 O TRP A 18 -7.515 -1.373 -6.584 1.00 35.22 O ATOM 245 CB TRP A 18 -5.321 -1.439 -8.737 1.00 22.12 C ATOM 246 CG TRP A 18 -4.711 -1.297 -10.105 1.00 12.52 C ATOM 247 CD1 TRP A 18 -4.784 -0.204 -10.910 1.00 23.51 C ATOM 248 CD2 TRP A 18 -3.935 -2.267 -10.826 1.00 14.41 C ATOM 249 NE1 TRP A 18 -4.103 -0.424 -12.077 1.00 24.22 N ATOM 250 CE2 TRP A 18 -3.570 -1.678 -12.051 1.00 13.50 C ATOM 251 CE3 TRP A 18 -3.506 -3.570 -10.558 1.00 64.44 C ATOM 252 CZ2 TRP A 18 -2.801 -2.344 -13.000 1.00 73.54 C ATOM 253 CZ3 TRP A 18 -2.743 -4.225 -11.501 1.00 15.01 C ATOM 254 CH2 TRP A 18 -2.398 -3.612 -12.708 1.00 60.00 C ATOM 0 H TRP A 18 -8.017 -0.542 -8.946 1.00 53.15 H new ATOM 0 HA TRP A 18 -6.598 -3.109 -9.186 1.00 44.53 H new ATOM 0 HB2 TRP A 18 -5.424 -0.447 -8.298 1.00 22.12 H new ATOM 0 HB3 TRP A 18 -4.630 -1.997 -8.105 1.00 22.12 H new ATOM 0 HD1 TRP A 18 -5.306 0.709 -10.664 1.00 23.51 H new ATOM 0 HE1 TRP A 18 -4.010 0.243 -12.843 1.00 24.22 H new ATOM 0 HE3 TRP A 18 -3.768 -4.055 -9.629 1.00 64.44 H new ATOM 0 HZ2 TRP A 18 -2.533 -1.873 -13.934 1.00 73.54 H new ATOM 0 HZ3 TRP A 18 -2.405 -5.232 -11.303 1.00 15.01 H new ATOM 0 HH2 TRP A 18 -1.799 -4.155 -13.425 1.00 60.00 H new ATOM 265 N LYS A 19 -7.099 -3.568 -6.792 1.00 60.30 N ATOM 266 CA LYS A 19 -7.221 -3.853 -5.374 1.00 42.42 C ATOM 267 C LYS A 19 -5.850 -3.672 -4.761 1.00 2.32 C ATOM 268 O LYS A 19 -5.049 -4.601 -4.765 1.00 63.35 O ATOM 269 CB LYS A 19 -7.710 -5.290 -5.157 1.00 20.11 C ATOM 270 CG LYS A 19 -9.206 -5.429 -4.946 1.00 24.11 C ATOM 271 CD LYS A 19 -9.675 -6.866 -5.165 1.00 32.14 C ATOM 272 CE LYS A 19 -9.141 -7.850 -4.138 1.00 64.12 C ATOM 273 NZ LYS A 19 -9.880 -7.781 -2.856 1.00 40.02 N ATOM 0 H LYS A 19 -6.993 -4.394 -7.381 1.00 60.30 H new ATOM 0 HA LYS A 19 -7.945 -3.183 -4.910 1.00 42.42 H new ATOM 0 HB2 LYS A 19 -7.422 -5.891 -6.020 1.00 20.11 H new ATOM 0 HB3 LYS A 19 -7.195 -5.707 -4.292 1.00 20.11 H new ATOM 0 HG2 LYS A 19 -9.462 -5.112 -3.935 1.00 24.11 H new ATOM 0 HG3 LYS A 19 -9.734 -4.765 -5.631 1.00 24.11 H new ATOM 0 HD2 LYS A 19 -10.765 -6.890 -5.144 1.00 32.14 H new ATOM 0 HD3 LYS A 19 -9.368 -7.191 -6.159 1.00 32.14 H new ATOM 0 HE2 LYS A 19 -9.207 -8.862 -4.539 1.00 64.12 H new ATOM 0 HE3 LYS A 19 -8.085 -7.647 -3.958 1.00 64.12 H new ATOM 0 HZ1 LYS A 19 -9.491 -8.482 -2.193 1.00 40.02 H new ATOM 0 HZ2 LYS A 19 -9.782 -6.829 -2.450 1.00 40.02 H new ATOM 0 HZ3 LYS A 19 -10.886 -7.984 -3.024 1.00 40.02 H new ATOM 287 N ASP A 20 -5.584 -2.471 -4.254 1.00 34.24 N ATOM 288 CA ASP A 20 -4.237 -2.103 -3.843 1.00 4.13 C ATOM 289 C ASP A 20 -3.863 -2.763 -2.535 1.00 25.10 C ATOM 290 O ASP A 20 -4.587 -2.687 -1.541 1.00 45.35 O ATOM 291 CB ASP A 20 -4.072 -0.585 -3.770 1.00 23.22 C ATOM 292 CG ASP A 20 -3.965 0.053 -5.149 1.00 25.42 C ATOM 293 OD1 ASP A 20 -2.879 -0.045 -5.772 1.00 3.34 O ATOM 294 OD2 ASP A 20 -4.959 0.647 -5.607 1.00 40.45 O ATOM 0 H ASP A 20 -6.282 -1.740 -4.119 1.00 34.24 H new ATOM 0 HA ASP A 20 -3.549 -2.470 -4.604 1.00 4.13 H new ATOM 0 HB2 ASP A 20 -4.921 -0.155 -3.238 1.00 23.22 H new ATOM 0 HB3 ASP A 20 -3.179 -0.346 -3.192 1.00 23.22 H new ATOM 299 N THR A 21 -2.714 -3.407 -2.561 1.00 3.24 N ATOM 300 CA THR A 21 -2.266 -4.228 -1.462 1.00 63.33 C ATOM 301 C THR A 21 -1.026 -3.607 -0.848 1.00 43.03 C ATOM 302 O THR A 21 -0.130 -3.135 -1.560 1.00 44.14 O ATOM 303 CB THR A 21 -1.960 -5.703 -1.877 1.00 23.43 C ATOM 304 OG1 THR A 21 -0.771 -5.777 -2.663 1.00 72.24 O ATOM 305 CG2 THR A 21 -3.095 -6.325 -2.676 1.00 0.14 C ATOM 0 H THR A 21 -2.066 -3.374 -3.348 1.00 3.24 H new ATOM 0 HA THR A 21 -3.082 -4.268 -0.740 1.00 63.33 H new ATOM 0 HB THR A 21 -1.835 -6.258 -0.947 1.00 23.43 H new ATOM 0 HG1 THR A 21 -0.369 -6.666 -2.566 1.00 72.24 H new ATOM 0 HG21 THR A 21 -2.835 -7.350 -2.941 1.00 0.14 H new ATOM 0 HG22 THR A 21 -4.005 -6.325 -2.076 1.00 0.14 H new ATOM 0 HG23 THR A 21 -3.260 -5.746 -3.585 1.00 0.14 H new ATOM 313 N VAL A 22 -0.985 -3.600 0.464 1.00 65.43 N ATOM 314 CA VAL A 22 0.147 -3.050 1.184 1.00 5.10 C ATOM 315 C VAL A 22 0.779 -4.159 2.004 1.00 12.54 C ATOM 316 O VAL A 22 0.198 -4.657 2.971 1.00 31.32 O ATOM 317 CB VAL A 22 -0.239 -1.827 2.069 1.00 5.02 C ATOM 318 CG1 VAL A 22 0.957 -1.322 2.864 1.00 31.44 C ATOM 319 CG2 VAL A 22 -0.790 -0.693 1.213 1.00 74.30 C ATOM 0 H VAL A 22 -1.725 -3.970 1.060 1.00 65.43 H new ATOM 0 HA VAL A 22 0.868 -2.666 0.463 1.00 5.10 H new ATOM 0 HB VAL A 22 -1.009 -2.160 2.765 1.00 5.02 H new ATOM 0 HG11 VAL A 22 0.656 -0.469 3.472 1.00 31.44 H new ATOM 0 HG12 VAL A 22 1.325 -2.117 3.512 1.00 31.44 H new ATOM 0 HG13 VAL A 22 1.748 -1.018 2.178 1.00 31.44 H new ATOM 0 HG21 VAL A 22 -1.053 0.150 1.852 1.00 74.30 H new ATOM 0 HG22 VAL A 22 -0.034 -0.381 0.492 1.00 74.30 H new ATOM 0 HG23 VAL A 22 -1.678 -1.036 0.682 1.00 74.30 H new ATOM 329 N THR A 23 1.949 -4.571 1.558 1.00 24.21 N ATOM 330 CA THR A 23 2.642 -5.697 2.130 1.00 21.24 C ATOM 331 C THR A 23 3.726 -5.215 3.088 1.00 71.13 C ATOM 332 O THR A 23 4.710 -4.630 2.674 1.00 42.31 O ATOM 333 CB THR A 23 3.276 -6.552 1.021 1.00 25.45 C ATOM 334 OG1 THR A 23 2.390 -6.649 -0.107 1.00 51.01 O ATOM 335 CG2 THR A 23 3.577 -7.939 1.539 1.00 41.23 C ATOM 0 H THR A 23 2.444 -4.128 0.784 1.00 24.21 H new ATOM 0 HA THR A 23 1.922 -6.304 2.679 1.00 21.24 H new ATOM 0 HB THR A 23 4.203 -6.072 0.708 1.00 25.45 H new ATOM 0 HG1 THR A 23 2.888 -6.465 -0.931 1.00 51.01 H new ATOM 0 HG21 THR A 23 4.026 -8.535 0.744 1.00 41.23 H new ATOM 0 HG22 THR A 23 4.270 -7.872 2.378 1.00 41.23 H new ATOM 0 HG23 THR A 23 2.653 -8.412 1.870 1.00 41.23 H new ATOM 343 N ILE A 24 3.538 -5.455 4.363 1.00 42.33 N ATOM 344 CA ILE A 24 4.471 -5.016 5.382 1.00 70.31 C ATOM 345 C ILE A 24 5.379 -6.176 5.772 1.00 1.32 C ATOM 346 O ILE A 24 4.910 -7.185 6.294 1.00 63.30 O ATOM 347 CB ILE A 24 3.729 -4.496 6.639 1.00 71.24 C ATOM 348 CG1 ILE A 24 2.647 -3.469 6.251 1.00 24.25 C ATOM 349 CG2 ILE A 24 4.715 -3.898 7.639 1.00 44.53 C ATOM 350 CD1 ILE A 24 3.177 -2.169 5.673 1.00 73.41 C ATOM 0 H ILE A 24 2.732 -5.962 4.728 1.00 42.33 H new ATOM 0 HA ILE A 24 5.063 -4.197 4.973 1.00 70.31 H new ATOM 0 HB ILE A 24 3.234 -5.342 7.116 1.00 71.24 H new ATOM 0 HG12 ILE A 24 1.977 -3.927 5.523 1.00 24.25 H new ATOM 0 HG13 ILE A 24 2.050 -3.240 7.134 1.00 24.25 H new ATOM 0 HG21 ILE A 24 4.173 -3.539 8.514 1.00 44.53 H new ATOM 0 HG22 ILE A 24 5.432 -4.661 7.944 1.00 44.53 H new ATOM 0 HG23 ILE A 24 5.245 -3.067 7.174 1.00 44.53 H new ATOM 0 HD11 ILE A 24 2.342 -1.511 5.431 1.00 73.41 H new ATOM 0 HD12 ILE A 24 3.822 -1.682 6.404 1.00 73.41 H new ATOM 0 HD13 ILE A 24 3.748 -2.379 4.768 1.00 73.41 H new ATOM 362 N GLU A 25 6.668 -6.025 5.537 1.00 1.32 N ATOM 363 CA GLU A 25 7.614 -7.091 5.802 1.00 33.33 C ATOM 364 C GLU A 25 8.224 -6.928 7.185 1.00 24.15 C ATOM 365 O GLU A 25 9.002 -6.006 7.441 1.00 50.32 O ATOM 366 CB GLU A 25 8.696 -7.127 4.720 1.00 71.11 C ATOM 367 CG GLU A 25 9.707 -8.246 4.902 1.00 25.32 C ATOM 368 CD GLU A 25 10.692 -8.339 3.766 1.00 1.45 C ATOM 369 OE1 GLU A 25 10.284 -8.714 2.654 1.00 62.10 O ATOM 370 OE2 GLU A 25 11.887 -8.054 3.990 1.00 24.03 O ATOM 0 H GLU A 25 7.085 -5.173 5.162 1.00 1.32 H new ATOM 0 HA GLU A 25 7.084 -8.043 5.779 1.00 33.33 H new ATOM 0 HB2 GLU A 25 8.219 -7.235 3.746 1.00 71.11 H new ATOM 0 HB3 GLU A 25 9.222 -6.172 4.713 1.00 71.11 H new ATOM 0 HG2 GLU A 25 10.250 -8.090 5.834 1.00 25.32 H new ATOM 0 HG3 GLU A 25 9.178 -9.194 4.996 1.00 25.32 H new ATOM 377 N VAL A 26 7.825 -7.821 8.073 1.00 52.12 N ATOM 378 CA VAL A 26 8.322 -7.845 9.432 1.00 33.10 C ATOM 379 C VAL A 26 9.377 -8.946 9.560 1.00 21.11 C ATOM 380 O VAL A 26 9.148 -10.085 9.172 1.00 5.15 O ATOM 381 CB VAL A 26 7.163 -8.069 10.452 1.00 60.04 C ATOM 382 CG1 VAL A 26 7.654 -7.994 11.889 1.00 11.53 C ATOM 383 CG2 VAL A 26 6.042 -7.061 10.232 1.00 1.24 C ATOM 0 H VAL A 26 7.144 -8.552 7.868 1.00 52.12 H new ATOM 0 HA VAL A 26 8.774 -6.880 9.662 1.00 33.10 H new ATOM 0 HB VAL A 26 6.775 -9.073 10.279 1.00 60.04 H new ATOM 0 HG11 VAL A 26 6.817 -8.155 12.568 1.00 11.53 H new ATOM 0 HG12 VAL A 26 8.410 -8.762 12.056 1.00 11.53 H new ATOM 0 HG13 VAL A 26 8.088 -7.011 12.074 1.00 11.53 H new ATOM 0 HG21 VAL A 26 5.246 -7.238 10.955 1.00 1.24 H new ATOM 0 HG22 VAL A 26 6.431 -6.051 10.360 1.00 1.24 H new ATOM 0 HG23 VAL A 26 5.646 -7.172 9.223 1.00 1.24 H new ATOM 393 N LYS A 27 10.538 -8.572 10.060 1.00 50.11 N ATOM 394 CA LYS A 27 11.620 -9.498 10.320 1.00 4.21 C ATOM 395 C LYS A 27 12.321 -9.062 11.598 1.00 21.24 C ATOM 396 O LYS A 27 12.542 -7.866 11.791 1.00 25.31 O ATOM 397 CB LYS A 27 12.595 -9.512 9.136 1.00 63.23 C ATOM 398 CG LYS A 27 13.741 -10.497 9.277 1.00 21.52 C ATOM 399 CD LYS A 27 14.677 -10.434 8.086 1.00 71.00 C ATOM 400 CE LYS A 27 15.802 -11.448 8.211 1.00 73.11 C ATOM 401 NZ LYS A 27 16.674 -11.185 9.388 1.00 32.32 N ATOM 0 H LYS A 27 10.758 -7.605 10.300 1.00 50.11 H new ATOM 0 HA LYS A 27 11.235 -10.510 10.443 1.00 4.21 H new ATOM 0 HB2 LYS A 27 12.040 -9.747 8.227 1.00 63.23 H new ATOM 0 HB3 LYS A 27 13.007 -8.511 9.008 1.00 63.23 H new ATOM 0 HG2 LYS A 27 14.297 -10.282 10.190 1.00 21.52 H new ATOM 0 HG3 LYS A 27 13.344 -11.507 9.376 1.00 21.52 H new ATOM 0 HD2 LYS A 27 14.116 -10.621 7.170 1.00 71.00 H new ATOM 0 HD3 LYS A 27 15.096 -9.431 8.003 1.00 71.00 H new ATOM 0 HE2 LYS A 27 15.378 -12.449 8.293 1.00 73.11 H new ATOM 0 HE3 LYS A 27 16.406 -11.431 7.304 1.00 73.11 H new ATOM 0 HZ1 LYS A 27 17.517 -11.792 9.338 1.00 32.32 H new ATOM 0 HZ2 LYS A 27 16.965 -10.187 9.388 1.00 32.32 H new ATOM 0 HZ3 LYS A 27 16.150 -11.393 10.262 1.00 32.32 H new ATOM 415 N ASN A 28 12.634 -10.040 12.469 1.00 64.53 N ATOM 416 CA ASN A 28 13.295 -9.813 13.778 1.00 51.22 C ATOM 417 C ASN A 28 12.356 -9.088 14.760 1.00 20.34 C ATOM 418 O ASN A 28 12.809 -8.435 15.703 1.00 62.12 O ATOM 419 CB ASN A 28 14.620 -9.022 13.636 1.00 42.34 C ATOM 420 CG ASN A 28 15.648 -9.682 12.730 1.00 72.41 C ATOM 421 OD1 ASN A 28 15.737 -10.907 12.636 1.00 63.12 O ATOM 422 ND2 ASN A 28 16.418 -8.863 12.030 1.00 25.12 N ATOM 0 H ASN A 28 12.435 -11.023 12.286 1.00 64.53 H new ATOM 0 HA ASN A 28 13.533 -10.799 14.178 1.00 51.22 H new ATOM 0 HB2 ASN A 28 14.397 -8.028 13.249 1.00 42.34 H new ATOM 0 HB3 ASN A 28 15.057 -8.888 14.625 1.00 42.34 H new ATOM 0 HD21 ASN A 28 17.113 -9.242 11.387 1.00 25.12 H new ATOM 0 HD22 ASN A 28 16.316 -7.853 12.134 1.00 25.12 H new ATOM 429 N GLY A 29 11.044 -9.240 14.545 1.00 21.43 N ATOM 430 CA GLY A 29 10.050 -8.580 15.382 1.00 62.11 C ATOM 431 C GLY A 29 9.697 -7.159 14.961 1.00 1.03 C ATOM 432 O GLY A 29 8.795 -6.559 15.544 1.00 21.13 O ATOM 0 H GLY A 29 10.652 -9.814 13.799 1.00 21.43 H new ATOM 0 HA2 GLY A 29 9.140 -9.180 15.381 1.00 62.11 H new ATOM 0 HA3 GLY A 29 10.417 -8.559 16.408 1.00 62.11 H new ATOM 436 N LYS A 30 10.384 -6.616 13.958 1.00 22.35 N ATOM 437 CA LYS A 30 10.154 -5.234 13.539 1.00 31.42 C ATOM 438 C LYS A 30 10.055 -5.114 12.018 1.00 63.13 C ATOM 439 O LYS A 30 10.457 -6.013 11.301 1.00 21.25 O ATOM 440 CB LYS A 30 11.270 -4.332 14.088 1.00 4.13 C ATOM 441 CG LYS A 30 12.679 -4.704 13.630 1.00 43.21 C ATOM 442 CD LYS A 30 13.730 -3.825 14.292 1.00 53.53 C ATOM 443 CE LYS A 30 13.581 -2.359 13.902 1.00 31.23 C ATOM 444 NZ LYS A 30 14.463 -1.479 14.706 1.00 42.12 N ATOM 0 H LYS A 30 11.100 -7.108 13.423 1.00 22.35 H new ATOM 0 HA LYS A 30 9.198 -4.908 13.949 1.00 31.42 H new ATOM 0 HB2 LYS A 30 11.066 -3.304 13.790 1.00 4.13 H new ATOM 0 HB3 LYS A 30 11.238 -4.361 15.177 1.00 4.13 H new ATOM 0 HG2 LYS A 30 12.876 -5.750 13.867 1.00 43.21 H new ATOM 0 HG3 LYS A 30 12.749 -4.604 12.547 1.00 43.21 H new ATOM 0 HD2 LYS A 30 13.652 -3.921 15.375 1.00 53.53 H new ATOM 0 HD3 LYS A 30 14.723 -4.175 14.011 1.00 53.53 H new ATOM 0 HE2 LYS A 30 13.816 -2.239 12.844 1.00 31.23 H new ATOM 0 HE3 LYS A 30 12.544 -2.052 14.035 1.00 31.23 H new ATOM 0 HZ1 LYS A 30 14.331 -0.491 14.409 1.00 42.12 H new ATOM 0 HZ2 LYS A 30 14.222 -1.573 15.713 1.00 42.12 H new ATOM 0 HZ3 LYS A 30 15.455 -1.755 14.560 1.00 42.12 H new ATOM 458 N ILE A 31 9.516 -4.002 11.534 1.00 44.42 N ATOM 459 CA ILE A 31 9.368 -3.772 10.095 1.00 63.43 C ATOM 460 C ILE A 31 10.724 -3.429 9.474 1.00 63.51 C ATOM 461 O ILE A 31 11.372 -2.458 9.862 1.00 34.22 O ATOM 462 CB ILE A 31 8.360 -2.627 9.799 1.00 20.24 C ATOM 463 CG1 ILE A 31 7.023 -2.881 10.516 1.00 71.33 C ATOM 464 CG2 ILE A 31 8.145 -2.466 8.293 1.00 42.44 C ATOM 465 CD1 ILE A 31 6.061 -1.709 10.463 1.00 62.13 C ATOM 0 H ILE A 31 9.171 -3.239 12.117 1.00 44.42 H new ATOM 0 HA ILE A 31 8.981 -4.691 9.654 1.00 63.43 H new ATOM 0 HB ILE A 31 8.781 -1.697 10.182 1.00 20.24 H new ATOM 0 HG12 ILE A 31 6.543 -3.752 10.070 1.00 71.33 H new ATOM 0 HG13 ILE A 31 7.223 -3.127 11.559 1.00 71.33 H new ATOM 0 HG21 ILE A 31 7.436 -1.659 8.111 1.00 42.44 H new ATOM 0 HG22 ILE A 31 9.095 -2.230 7.813 1.00 42.44 H new ATOM 0 HG23 ILE A 31 7.751 -3.395 7.880 1.00 42.44 H new ATOM 0 HD11 ILE A 31 5.143 -1.968 10.991 1.00 62.13 H new ATOM 0 HD12 ILE A 31 6.519 -0.841 10.936 1.00 62.13 H new ATOM 0 HD13 ILE A 31 5.829 -1.476 9.424 1.00 62.13 H new ATOM 477 N VAL A 32 11.155 -4.244 8.526 1.00 13.34 N ATOM 478 CA VAL A 32 12.424 -4.018 7.847 1.00 73.52 C ATOM 479 C VAL A 32 12.210 -3.544 6.405 1.00 3.05 C ATOM 480 O VAL A 32 13.089 -2.904 5.822 1.00 11.32 O ATOM 481 CB VAL A 32 13.329 -5.285 7.857 1.00 75.23 C ATOM 482 CG1 VAL A 32 13.737 -5.647 9.277 1.00 33.25 C ATOM 483 CG2 VAL A 32 12.648 -6.477 7.187 1.00 10.10 C ATOM 0 H VAL A 32 10.646 -5.069 8.208 1.00 13.34 H new ATOM 0 HA VAL A 32 12.935 -3.233 8.404 1.00 73.52 H new ATOM 0 HB VAL A 32 14.223 -5.044 7.282 1.00 75.23 H new ATOM 0 HG11 VAL A 32 14.369 -6.535 9.259 1.00 33.25 H new ATOM 0 HG12 VAL A 32 14.289 -4.818 9.719 1.00 33.25 H new ATOM 0 HG13 VAL A 32 12.846 -5.848 9.872 1.00 33.25 H new ATOM 0 HG21 VAL A 32 13.314 -7.340 7.216 1.00 10.10 H new ATOM 0 HG22 VAL A 32 11.725 -6.713 7.716 1.00 10.10 H new ATOM 0 HG23 VAL A 32 12.419 -6.230 6.150 1.00 10.10 H new ATOM 493 N SER A 33 11.032 -3.831 5.848 1.00 62.13 N ATOM 494 CA SER A 33 10.776 -3.609 4.429 1.00 22.53 C ATOM 495 C SER A 33 9.279 -3.441 4.190 1.00 0.13 C ATOM 496 O SER A 33 8.467 -3.721 5.072 1.00 54.42 O ATOM 497 CB SER A 33 11.345 -4.798 3.627 1.00 35.14 C ATOM 498 OG SER A 33 11.132 -4.678 2.230 1.00 20.31 O ATOM 0 H SER A 33 10.240 -4.218 6.362 1.00 62.13 H new ATOM 0 HA SER A 33 11.268 -2.695 4.096 1.00 22.53 H new ATOM 0 HB2 SER A 33 12.415 -4.880 3.820 1.00 35.14 H new ATOM 0 HB3 SER A 33 10.885 -5.721 3.981 1.00 35.14 H new ATOM 0 HG SER A 33 11.514 -5.456 1.773 1.00 20.31 H new ATOM 504 N VAL A 34 8.925 -2.952 3.012 1.00 42.32 N ATOM 505 CA VAL A 34 7.536 -2.791 2.617 1.00 74.14 C ATOM 506 C VAL A 34 7.412 -2.901 1.084 1.00 54.30 C ATOM 507 O VAL A 34 8.265 -2.435 0.331 1.00 2.35 O ATOM 508 CB VAL A 34 6.941 -1.459 3.182 1.00 64.43 C ATOM 509 CG1 VAL A 34 7.728 -0.265 2.706 1.00 3.23 C ATOM 510 CG2 VAL A 34 5.463 -1.287 2.850 1.00 25.51 C ATOM 0 H VAL A 34 9.595 -2.655 2.302 1.00 42.32 H new ATOM 0 HA VAL A 34 6.941 -3.595 3.051 1.00 74.14 H new ATOM 0 HB VAL A 34 7.022 -1.524 4.267 1.00 64.43 H new ATOM 0 HG11 VAL A 34 7.291 0.646 3.115 1.00 3.23 H new ATOM 0 HG12 VAL A 34 8.761 -0.353 3.041 1.00 3.23 H new ATOM 0 HG13 VAL A 34 7.702 -0.223 1.617 1.00 3.23 H new ATOM 0 HG21 VAL A 34 5.104 -0.346 3.267 1.00 25.51 H new ATOM 0 HG22 VAL A 34 5.332 -1.278 1.768 1.00 25.51 H new ATOM 0 HG23 VAL A 34 4.895 -2.114 3.278 1.00 25.51 H new ATOM 520 N ASP A 35 6.357 -3.563 0.655 1.00 21.11 N ATOM 521 CA ASP A 35 6.071 -3.822 -0.747 1.00 71.04 C ATOM 522 C ASP A 35 4.725 -3.205 -1.115 1.00 21.12 C ATOM 523 O ASP A 35 3.781 -3.231 -0.325 1.00 42.34 O ATOM 524 CB ASP A 35 6.070 -5.349 -0.988 1.00 23.41 C ATOM 525 CG ASP A 35 5.546 -5.773 -2.356 1.00 31.03 C ATOM 526 OD1 ASP A 35 6.340 -5.845 -3.312 1.00 35.11 O ATOM 527 OD2 ASP A 35 4.335 -6.066 -2.465 1.00 33.31 O ATOM 0 H ASP A 35 5.654 -3.947 1.286 1.00 21.11 H new ATOM 0 HA ASP A 35 6.836 -3.370 -1.379 1.00 71.04 H new ATOM 0 HB2 ASP A 35 7.087 -5.723 -0.871 1.00 23.41 H new ATOM 0 HB3 ASP A 35 5.464 -5.825 -0.217 1.00 23.41 H new ATOM 532 N TRP A 36 4.658 -2.624 -2.300 1.00 34.23 N ATOM 533 CA TRP A 36 3.401 -2.148 -2.849 1.00 2.20 C ATOM 534 C TRP A 36 3.048 -2.944 -4.093 1.00 53.03 C ATOM 535 O TRP A 36 3.874 -3.147 -4.986 1.00 1.43 O ATOM 536 CB TRP A 36 3.419 -0.628 -3.128 1.00 75.31 C ATOM 537 CG TRP A 36 4.765 -0.057 -3.476 1.00 3.42 C ATOM 538 CD1 TRP A 36 5.661 0.489 -2.604 1.00 3.05 C ATOM 539 CD2 TRP A 36 5.362 0.045 -4.778 1.00 43.42 C ATOM 540 NE1 TRP A 36 6.777 0.909 -3.275 1.00 21.04 N ATOM 541 CE2 TRP A 36 6.620 0.645 -4.609 1.00 11.54 C ATOM 542 CE3 TRP A 36 4.957 -0.320 -6.064 1.00 74.30 C ATOM 543 CZ2 TRP A 36 7.481 0.889 -5.677 1.00 13.54 C ATOM 544 CZ3 TRP A 36 5.808 -0.079 -7.121 1.00 71.31 C ATOM 545 CH2 TRP A 36 7.058 0.519 -6.921 1.00 13.34 C ATOM 0 H TRP A 36 5.465 -2.470 -2.904 1.00 34.23 H new ATOM 0 HA TRP A 36 2.625 -2.306 -2.101 1.00 2.20 H new ATOM 0 HB2 TRP A 36 2.730 -0.417 -3.946 1.00 75.31 H new ATOM 0 HB3 TRP A 36 3.038 -0.109 -2.248 1.00 75.31 H new ATOM 0 HD1 TRP A 36 5.511 0.577 -1.538 1.00 3.05 H new ATOM 0 HE1 TRP A 36 7.594 1.348 -2.850 1.00 21.04 H new ATOM 0 HE3 TRP A 36 3.995 -0.783 -6.227 1.00 74.30 H new ATOM 0 HZ2 TRP A 36 8.445 1.352 -5.527 1.00 13.54 H new ATOM 0 HZ3 TRP A 36 5.506 -0.356 -8.120 1.00 71.31 H new ATOM 0 HH2 TRP A 36 7.702 0.692 -7.770 1.00 13.34 H new ATOM 556 N ASN A 37 1.820 -3.418 -4.120 1.00 11.01 N ATOM 557 CA ASN A 37 1.321 -4.261 -5.195 1.00 1.24 C ATOM 558 C ASN A 37 -0.179 -3.988 -5.327 1.00 15.02 C ATOM 559 O ASN A 37 -0.710 -3.142 -4.600 1.00 64.02 O ATOM 560 CB ASN A 37 1.599 -5.740 -4.845 1.00 74.20 C ATOM 561 CG ASN A 37 1.808 -6.664 -6.039 1.00 41.51 C ATOM 562 OD1 ASN A 37 1.266 -6.467 -7.130 1.00 71.01 O ATOM 563 ND2 ASN A 37 2.589 -7.706 -5.827 1.00 60.11 N ATOM 0 H ASN A 37 1.131 -3.229 -3.392 1.00 11.01 H new ATOM 0 HA ASN A 37 1.814 -4.046 -6.143 1.00 1.24 H new ATOM 0 HB2 ASN A 37 2.485 -5.786 -4.212 1.00 74.20 H new ATOM 0 HB3 ASN A 37 0.765 -6.119 -4.255 1.00 74.20 H new ATOM 0 HD21 ASN A 37 2.759 -8.377 -6.576 1.00 60.11 H new ATOM 0 HD22 ASN A 37 3.023 -7.841 -4.914 1.00 60.11 H new ATOM 570 N ALA A 38 -0.843 -4.655 -6.263 1.00 4.52 N ATOM 571 CA ALA A 38 -2.297 -4.604 -6.389 1.00 21.21 C ATOM 572 C ALA A 38 -2.793 -5.775 -7.218 1.00 55.34 C ATOM 573 O ALA A 38 -1.999 -6.454 -7.859 1.00 70.44 O ATOM 574 CB ALA A 38 -2.748 -3.301 -7.026 1.00 71.33 C ATOM 0 H ALA A 38 -0.389 -5.248 -6.958 1.00 4.52 H new ATOM 0 HA ALA A 38 -2.721 -4.663 -5.387 1.00 21.21 H new ATOM 0 HB1 ALA A 38 -3.835 -3.292 -7.106 1.00 71.33 H new ATOM 0 HB2 ALA A 38 -2.423 -2.463 -6.409 1.00 71.33 H new ATOM 0 HB3 ALA A 38 -2.310 -3.211 -8.020 1.00 71.33 H new ATOM 580 N ILE A 39 -4.095 -6.011 -7.194 1.00 63.01 N ATOM 581 CA ILE A 39 -4.710 -7.069 -7.987 1.00 51.12 C ATOM 582 C ILE A 39 -5.546 -6.421 -9.093 1.00 5.23 C ATOM 583 O ILE A 39 -6.226 -5.432 -8.852 1.00 60.13 O ATOM 584 CB ILE A 39 -5.594 -8.007 -7.115 1.00 52.30 C ATOM 585 CG1 ILE A 39 -4.867 -8.373 -5.807 1.00 22.42 C ATOM 586 CG2 ILE A 39 -5.930 -9.277 -7.896 1.00 31.25 C ATOM 587 CD1 ILE A 39 -5.732 -9.077 -4.785 1.00 33.43 C ATOM 0 H ILE A 39 -4.755 -5.478 -6.627 1.00 63.01 H new ATOM 0 HA ILE A 39 -3.924 -7.689 -8.420 1.00 51.12 H new ATOM 0 HB ILE A 39 -6.517 -7.483 -6.865 1.00 52.30 H new ATOM 0 HG12 ILE A 39 -4.016 -9.011 -6.045 1.00 22.42 H new ATOM 0 HG13 ILE A 39 -4.468 -7.462 -5.361 1.00 22.42 H new ATOM 0 HG21 ILE A 39 -6.549 -9.930 -7.280 1.00 31.25 H new ATOM 0 HG22 ILE A 39 -6.472 -9.013 -8.804 1.00 31.25 H new ATOM 0 HG23 ILE A 39 -5.009 -9.795 -8.162 1.00 31.25 H new ATOM 0 HD11 ILE A 39 -5.140 -9.297 -3.897 1.00 33.43 H new ATOM 0 HD12 ILE A 39 -6.570 -8.435 -4.513 1.00 33.43 H new ATOM 0 HD13 ILE A 39 -6.111 -10.007 -5.208 1.00 33.43 H new ATOM 599 N ASN A 40 -5.480 -6.976 -10.295 1.00 74.31 N ATOM 600 CA ASN A 40 -6.067 -6.354 -11.479 1.00 12.21 C ATOM 601 C ASN A 40 -7.567 -6.665 -11.635 1.00 23.44 C ATOM 602 O ASN A 40 -7.998 -7.796 -11.418 1.00 50.05 O ATOM 603 CB ASN A 40 -5.270 -6.802 -12.702 1.00 61.31 C ATOM 604 CG ASN A 40 -5.673 -6.088 -13.957 1.00 62.23 C ATOM 605 OD1 ASN A 40 -6.392 -6.624 -14.777 1.00 51.23 O ATOM 606 ND2 ASN A 40 -5.231 -4.857 -14.086 1.00 34.41 N ATOM 0 H ASN A 40 -5.020 -7.868 -10.479 1.00 74.31 H new ATOM 0 HA ASN A 40 -6.008 -5.271 -11.371 1.00 12.21 H new ATOM 0 HB2 ASN A 40 -4.209 -6.633 -12.519 1.00 61.31 H new ATOM 0 HB3 ASN A 40 -5.402 -7.875 -12.842 1.00 61.31 H new ATOM 0 HD21 ASN A 40 -5.490 -4.305 -14.904 1.00 34.41 H new ATOM 0 HD22 ASN A 40 -4.629 -4.453 -13.368 1.00 34.41 H new ATOM 613 N LYS A 41 -8.340 -5.630 -12.028 1.00 12.00 N ATOM 614 CA LYS A 41 -9.816 -5.686 -12.115 1.00 10.02 C ATOM 615 C LYS A 41 -10.313 -6.579 -13.255 1.00 24.22 C ATOM 616 O LYS A 41 -11.363 -7.216 -13.134 1.00 65.41 O ATOM 617 CB LYS A 41 -10.376 -4.269 -12.295 1.00 70.24 C ATOM 618 CG LYS A 41 -11.878 -4.163 -12.100 1.00 54.41 C ATOM 619 CD LYS A 41 -12.366 -2.735 -12.214 1.00 74.11 C ATOM 620 CE LYS A 41 -13.837 -2.616 -11.847 1.00 13.32 C ATOM 621 NZ LYS A 41 -14.703 -3.473 -12.697 1.00 14.51 N ATOM 0 H LYS A 41 -7.954 -4.725 -12.296 1.00 12.00 H new ATOM 0 HA LYS A 41 -10.173 -6.125 -11.183 1.00 10.02 H new ATOM 0 HB2 LYS A 41 -9.881 -3.603 -11.588 1.00 70.24 H new ATOM 0 HB3 LYS A 41 -10.125 -3.916 -13.295 1.00 70.24 H new ATOM 0 HG2 LYS A 41 -12.384 -4.779 -12.843 1.00 54.41 H new ATOM 0 HG3 LYS A 41 -12.145 -4.560 -11.121 1.00 54.41 H new ATOM 0 HD2 LYS A 41 -11.774 -2.094 -11.560 1.00 74.11 H new ATOM 0 HD3 LYS A 41 -12.214 -2.378 -13.233 1.00 74.11 H new ATOM 0 HE2 LYS A 41 -13.971 -2.892 -10.801 1.00 13.32 H new ATOM 0 HE3 LYS A 41 -14.150 -1.577 -11.945 1.00 13.32 H new ATOM 0 HZ1 LYS A 41 -15.702 -3.258 -12.503 1.00 14.51 H new ATOM 0 HZ2 LYS A 41 -14.498 -3.288 -13.700 1.00 14.51 H new ATOM 0 HZ3 LYS A 41 -14.517 -4.474 -12.485 1.00 14.51 H new ATOM 635 N ASP A 42 -9.552 -6.618 -14.349 1.00 71.40 N ATOM 636 CA ASP A 42 -9.854 -7.474 -15.504 1.00 30.32 C ATOM 637 C ASP A 42 -9.818 -8.961 -15.110 1.00 73.21 C ATOM 638 O ASP A 42 -10.609 -9.769 -15.608 1.00 72.13 O ATOM 639 CB ASP A 42 -8.858 -7.150 -16.635 1.00 22.34 C ATOM 640 CG ASP A 42 -8.705 -8.238 -17.686 1.00 11.01 C ATOM 641 OD1 ASP A 42 -9.530 -8.298 -18.613 1.00 13.23 O ATOM 642 OD2 ASP A 42 -7.731 -9.016 -17.594 1.00 61.43 O ATOM 0 H ASP A 42 -8.707 -6.058 -14.463 1.00 71.40 H new ATOM 0 HA ASP A 42 -10.864 -7.274 -15.860 1.00 30.32 H new ATOM 0 HB2 ASP A 42 -9.177 -6.232 -17.128 1.00 22.34 H new ATOM 0 HB3 ASP A 42 -7.881 -6.952 -16.193 1.00 22.34 H new ATOM 647 N GLY A 43 -8.918 -9.298 -14.189 1.00 41.54 N ATOM 648 CA GLY A 43 -8.841 -10.649 -13.676 1.00 25.11 C ATOM 649 C GLY A 43 -7.676 -11.412 -14.248 1.00 63.15 C ATOM 650 O GLY A 43 -7.689 -12.639 -14.261 1.00 4.51 O ATOM 0 H GLY A 43 -8.238 -8.652 -13.789 1.00 41.54 H new ATOM 0 HA2 GLY A 43 -8.754 -10.618 -12.590 1.00 25.11 H new ATOM 0 HA3 GLY A 43 -9.767 -11.176 -13.907 1.00 25.11 H new ATOM 654 N GLY A 44 -6.672 -10.682 -14.735 1.00 42.25 N ATOM 655 CA GLY A 44 -5.471 -11.308 -15.245 1.00 72.32 C ATOM 656 C GLY A 44 -4.454 -11.564 -14.156 1.00 75.24 C ATOM 657 O GLY A 44 -4.665 -12.407 -13.282 1.00 22.41 O ATOM 0 H GLY A 44 -6.674 -9.663 -14.783 1.00 42.25 H new ATOM 0 HA2 GLY A 44 -5.731 -12.251 -15.726 1.00 72.32 H new ATOM 0 HA3 GLY A 44 -5.028 -10.671 -16.011 1.00 72.32 H new ATOM 661 N ASP A 45 -3.362 -10.819 -14.197 1.00 42.02 N ATOM 662 CA ASP A 45 -2.269 -10.992 -13.242 1.00 25.34 C ATOM 663 C ASP A 45 -2.349 -9.933 -12.145 1.00 44.52 C ATOM 664 O ASP A 45 -3.384 -9.286 -11.967 1.00 21.03 O ATOM 665 CB ASP A 45 -0.911 -10.902 -13.965 1.00 62.10 C ATOM 666 CG ASP A 45 -0.729 -11.960 -15.030 1.00 53.11 C ATOM 667 OD1 ASP A 45 -0.289 -13.077 -14.698 1.00 4.42 O ATOM 668 OD2 ASP A 45 -1.015 -11.671 -16.207 1.00 52.12 O ATOM 0 H ASP A 45 -3.204 -10.082 -14.885 1.00 42.02 H new ATOM 0 HA ASP A 45 -2.361 -11.977 -12.785 1.00 25.34 H new ATOM 0 HB2 ASP A 45 -0.815 -9.917 -14.421 1.00 62.10 H new ATOM 0 HB3 ASP A 45 -0.110 -10.993 -13.231 1.00 62.10 H new ATOM 673 N ASP A 46 -1.267 -9.777 -11.397 1.00 33.53 N ATOM 674 CA ASP A 46 -1.167 -8.720 -10.390 1.00 3.40 C ATOM 675 C ASP A 46 -0.399 -7.529 -10.957 1.00 31.33 C ATOM 676 O ASP A 46 0.039 -7.572 -12.094 1.00 42.44 O ATOM 677 CB ASP A 46 -0.479 -9.243 -9.123 1.00 1.43 C ATOM 678 CG ASP A 46 -1.316 -10.259 -8.384 1.00 14.43 C ATOM 679 OD1 ASP A 46 -2.311 -9.868 -7.750 1.00 55.05 O ATOM 680 OD2 ASP A 46 -0.976 -11.454 -8.430 1.00 5.14 O ATOM 0 H ASP A 46 -0.440 -10.370 -11.466 1.00 33.53 H new ATOM 0 HA ASP A 46 -2.174 -8.397 -10.124 1.00 3.40 H new ATOM 0 HB2 ASP A 46 0.477 -9.692 -9.392 1.00 1.43 H new ATOM 0 HB3 ASP A 46 -0.262 -8.405 -8.460 1.00 1.43 H new ATOM 685 N LYS A 47 -0.252 -6.468 -10.162 1.00 21.45 N ATOM 686 CA LYS A 47 0.523 -5.274 -10.543 1.00 73.34 C ATOM 687 C LYS A 47 2.000 -5.626 -10.788 1.00 11.01 C ATOM 688 O LYS A 47 2.620 -5.110 -11.722 1.00 61.24 O ATOM 689 CB LYS A 47 0.360 -4.203 -9.452 1.00 23.41 C ATOM 690 CG LYS A 47 1.114 -2.905 -9.690 1.00 32.45 C ATOM 691 CD LYS A 47 0.667 -1.811 -8.727 1.00 14.04 C ATOM 692 CE LYS A 47 -0.707 -1.256 -9.096 1.00 73.31 C ATOM 693 NZ LYS A 47 -1.137 -0.143 -8.205 1.00 71.10 N ATOM 0 H LYS A 47 -0.666 -6.407 -9.232 1.00 21.45 H new ATOM 0 HA LYS A 47 0.141 -4.876 -11.483 1.00 73.34 H new ATOM 0 HB2 LYS A 47 -0.700 -3.973 -9.349 1.00 23.41 H new ATOM 0 HB3 LYS A 47 0.688 -4.624 -8.502 1.00 23.41 H new ATOM 0 HG2 LYS A 47 2.184 -3.078 -9.573 1.00 32.45 H new ATOM 0 HG3 LYS A 47 0.955 -2.574 -10.716 1.00 32.45 H new ATOM 0 HD2 LYS A 47 0.637 -2.210 -7.713 1.00 14.04 H new ATOM 0 HD3 LYS A 47 1.398 -1.003 -8.731 1.00 14.04 H new ATOM 0 HE2 LYS A 47 -0.686 -0.903 -10.127 1.00 73.31 H new ATOM 0 HE3 LYS A 47 -1.443 -2.059 -9.049 1.00 73.31 H new ATOM 0 HZ1 LYS A 47 -1.880 0.412 -8.676 1.00 71.10 H new ATOM 0 HZ2 LYS A 47 -1.508 -0.534 -7.316 1.00 71.10 H new ATOM 0 HZ3 LYS A 47 -0.323 0.472 -8.000 1.00 71.10 H new ATOM 707 N ASP A 48 2.515 -6.537 -9.958 1.00 21.04 N ATOM 708 CA ASP A 48 3.855 -7.122 -10.102 1.00 72.03 C ATOM 709 C ASP A 48 4.032 -7.834 -11.455 1.00 24.54 C ATOM 710 O ASP A 48 4.969 -7.544 -12.208 1.00 5.10 O ATOM 711 CB ASP A 48 4.072 -8.117 -8.947 1.00 11.35 C ATOM 712 CG ASP A 48 5.317 -8.978 -9.096 1.00 23.33 C ATOM 713 OD1 ASP A 48 6.413 -8.507 -8.754 1.00 2.13 O ATOM 714 OD2 ASP A 48 5.185 -10.143 -9.544 1.00 62.24 O ATOM 0 H ASP A 48 2.005 -6.897 -9.151 1.00 21.04 H new ATOM 0 HA ASP A 48 4.594 -6.322 -10.067 1.00 72.03 H new ATOM 0 HB2 ASP A 48 4.137 -7.562 -8.011 1.00 11.35 H new ATOM 0 HB3 ASP A 48 3.200 -8.767 -8.873 1.00 11.35 H new ATOM 719 N THR A 49 3.109 -8.739 -11.756 1.00 53.30 N ATOM 720 CA THR A 49 3.248 -9.631 -12.898 1.00 20.41 C ATOM 721 C THR A 49 2.878 -8.948 -14.222 1.00 14.20 C ATOM 722 O THR A 49 3.424 -9.289 -15.254 1.00 42.52 O ATOM 723 CB THR A 49 2.401 -10.897 -12.683 1.00 30.43 C ATOM 724 OG1 THR A 49 2.415 -11.231 -11.287 1.00 33.14 O ATOM 725 CG2 THR A 49 2.948 -12.079 -13.480 1.00 63.31 C ATOM 0 H THR A 49 2.251 -8.874 -11.221 1.00 53.30 H new ATOM 0 HA THR A 49 4.299 -9.909 -12.971 1.00 20.41 H new ATOM 0 HB THR A 49 1.387 -10.694 -13.026 1.00 30.43 H new ATOM 0 HG1 THR A 49 1.876 -12.036 -11.138 1.00 33.14 H new ATOM 0 HG21 THR A 49 2.325 -12.956 -13.304 1.00 63.31 H new ATOM 0 HG22 THR A 49 2.941 -11.836 -14.543 1.00 63.31 H new ATOM 0 HG23 THR A 49 3.969 -12.290 -13.163 1.00 63.31 H new ATOM 733 N LEU A 50 1.974 -7.968 -14.184 1.00 21.14 N ATOM 734 CA LEU A 50 1.622 -7.173 -15.371 1.00 5.03 C ATOM 735 C LEU A 50 2.744 -6.224 -15.781 1.00 22.23 C ATOM 736 O LEU A 50 2.902 -5.930 -16.965 1.00 31.23 O ATOM 737 CB LEU A 50 0.314 -6.405 -15.179 1.00 2.42 C ATOM 738 CG LEU A 50 -0.945 -7.274 -15.143 1.00 20.03 C ATOM 739 CD1 LEU A 50 -2.163 -6.406 -14.957 1.00 55.21 C ATOM 740 CD2 LEU A 50 -1.075 -8.106 -16.413 1.00 11.51 C ATOM 0 H LEU A 50 1.467 -7.701 -13.340 1.00 21.14 H new ATOM 0 HA LEU A 50 1.476 -7.887 -16.182 1.00 5.03 H new ATOM 0 HB2 LEU A 50 0.375 -5.840 -14.249 1.00 2.42 H new ATOM 0 HB3 LEU A 50 0.214 -5.679 -15.986 1.00 2.42 H new ATOM 0 HG LEU A 50 -0.864 -7.961 -14.300 1.00 20.03 H new ATOM 0 HD11 LEU A 50 -3.055 -7.032 -14.932 1.00 55.21 H new ATOM 0 HD12 LEU A 50 -2.079 -5.857 -14.019 1.00 55.21 H new ATOM 0 HD13 LEU A 50 -2.237 -5.701 -15.785 1.00 55.21 H new ATOM 0 HD21 LEU A 50 -1.979 -8.713 -16.359 1.00 11.51 H new ATOM 0 HD22 LEU A 50 -1.134 -7.444 -17.277 1.00 11.51 H new ATOM 0 HD23 LEU A 50 -0.206 -8.756 -16.512 1.00 11.51 H new ATOM 752 N SER A 51 3.504 -5.737 -14.794 1.00 50.33 N ATOM 753 CA SER A 51 4.705 -4.936 -15.042 1.00 11.33 C ATOM 754 C SER A 51 5.800 -5.789 -15.721 1.00 3.34 C ATOM 755 O SER A 51 6.632 -5.268 -16.461 1.00 53.13 O ATOM 756 CB SER A 51 5.213 -4.345 -13.719 1.00 24.04 C ATOM 757 OG SER A 51 6.231 -3.385 -13.930 1.00 62.23 O ATOM 0 H SER A 51 3.304 -5.887 -13.805 1.00 50.33 H new ATOM 0 HA SER A 51 4.454 -4.119 -15.719 1.00 11.33 H new ATOM 0 HB2 SER A 51 4.383 -3.883 -13.184 1.00 24.04 H new ATOM 0 HB3 SER A 51 5.594 -5.146 -13.085 1.00 24.04 H new ATOM 0 HG SER A 51 6.529 -3.029 -13.067 1.00 62.23 H new ATOM 763 N ARG A 52 5.780 -7.102 -15.462 1.00 22.12 N ATOM 764 CA ARG A 52 6.706 -8.050 -16.081 1.00 41.11 C ATOM 765 C ARG A 52 6.234 -8.422 -17.504 1.00 75.14 C ATOM 766 O ARG A 52 7.032 -8.447 -18.440 1.00 2.24 O ATOM 767 CB ARG A 52 6.782 -9.316 -15.203 1.00 53.41 C ATOM 768 CG ARG A 52 8.154 -10.002 -15.117 1.00 0.11 C ATOM 769 CD ARG A 52 8.629 -10.601 -16.441 1.00 63.23 C ATOM 770 NE ARG A 52 7.685 -11.588 -16.999 1.00 5.14 N ATOM 771 CZ ARG A 52 7.675 -11.994 -18.284 1.00 23.55 C ATOM 772 NH1 ARG A 52 8.546 -11.501 -19.154 1.00 45.51 N ATOM 773 NH2 ARG A 52 6.775 -12.879 -18.691 1.00 45.52 N ATOM 0 H ARG A 52 5.120 -7.535 -14.816 1.00 22.12 H new ATOM 0 HA ARG A 52 7.692 -7.592 -16.160 1.00 41.11 H new ATOM 0 HB2 ARG A 52 6.467 -9.052 -14.193 1.00 53.41 H new ATOM 0 HB3 ARG A 52 6.061 -10.040 -15.582 1.00 53.41 H new ATOM 0 HG2 ARG A 52 8.891 -9.277 -14.772 1.00 0.11 H new ATOM 0 HG3 ARG A 52 8.108 -10.792 -14.367 1.00 0.11 H new ATOM 0 HD2 ARG A 52 8.777 -9.799 -17.164 1.00 63.23 H new ATOM 0 HD3 ARG A 52 9.598 -11.078 -16.291 1.00 63.23 H new ATOM 0 HE ARG A 52 6.992 -11.991 -16.368 1.00 5.14 H new ATOM 0 HH11 ARG A 52 9.231 -10.808 -18.853 1.00 45.51 H new ATOM 0 HH12 ARG A 52 8.531 -11.815 -20.124 1.00 45.51 H new ATOM 0 HH21 ARG A 52 6.092 -13.251 -18.032 1.00 45.52 H new ATOM 0 HH22 ARG A 52 6.766 -13.187 -19.663 1.00 45.52 H new ATOM 787 N ASN A 53 4.931 -8.687 -17.655 1.00 53.33 N ATOM 788 CA ASN A 53 4.370 -9.225 -18.905 1.00 15.44 C ATOM 789 C ASN A 53 4.176 -8.140 -19.967 1.00 73.52 C ATOM 790 O ASN A 53 4.063 -8.443 -21.158 1.00 22.34 O ATOM 791 CB ASN A 53 3.015 -9.918 -18.657 1.00 75.42 C ATOM 792 CG ASN A 53 3.096 -11.153 -17.772 1.00 42.15 C ATOM 793 OD1 ASN A 53 4.117 -11.830 -17.701 1.00 44.40 O ATOM 794 ND2 ASN A 53 1.999 -11.463 -17.102 1.00 33.33 N ATOM 0 H ASN A 53 4.238 -8.537 -16.922 1.00 53.33 H new ATOM 0 HA ASN A 53 5.095 -9.951 -19.272 1.00 15.44 H new ATOM 0 HB2 ASN A 53 2.332 -9.202 -18.200 1.00 75.42 H new ATOM 0 HB3 ASN A 53 2.584 -10.201 -19.617 1.00 75.42 H new ATOM 0 HD21 ASN A 53 1.984 -12.288 -16.502 1.00 33.33 H new ATOM 0 HD22 ASN A 53 1.168 -10.877 -17.185 1.00 33.33 H new ATOM 801 N GLY A 54 4.121 -6.886 -19.525 1.00 2.13 N ATOM 802 CA GLY A 54 3.945 -5.765 -20.430 1.00 14.33 C ATOM 803 C GLY A 54 2.488 -5.490 -20.742 1.00 11.23 C ATOM 804 O GLY A 54 2.145 -5.180 -21.883 1.00 12.33 O ATOM 0 H GLY A 54 4.197 -6.625 -18.542 1.00 2.13 H new ATOM 0 HA2 GLY A 54 4.393 -4.874 -19.990 1.00 14.33 H new ATOM 0 HA3 GLY A 54 4.480 -5.965 -21.358 1.00 14.33 H new ATOM 808 N GLY A 55 1.643 -5.597 -19.728 1.00 41.44 N ATOM 809 CA GLY A 55 0.219 -5.402 -19.912 1.00 10.50 C ATOM 810 C GLY A 55 -0.450 -4.862 -18.679 1.00 72.43 C ATOM 811 O GLY A 55 -1.414 -5.439 -18.203 1.00 25.34 O ATOM 0 H GLY A 55 1.921 -5.818 -18.772 1.00 41.44 H new ATOM 0 HA2 GLY A 55 0.053 -4.715 -20.742 1.00 10.50 H new ATOM 0 HA3 GLY A 55 -0.242 -6.351 -20.186 1.00 10.50 H new ATOM 815 N TYR A 56 0.100 -3.768 -18.162 1.00 32.10 N ATOM 816 CA TYR A 56 -0.431 -3.050 -16.999 1.00 4.20 C ATOM 817 C TYR A 56 -1.820 -2.455 -17.302 1.00 1.23 C ATOM 818 O TYR A 56 -1.933 -1.365 -17.871 1.00 12.42 O ATOM 819 CB TYR A 56 0.576 -1.949 -16.662 1.00 3.44 C ATOM 820 CG TYR A 56 0.490 -1.350 -15.285 1.00 22.12 C ATOM 821 CD1 TYR A 56 1.176 -1.922 -14.225 1.00 54.12 C ATOM 822 CD2 TYR A 56 -0.220 -0.180 -15.059 1.00 54.51 C ATOM 823 CE1 TYR A 56 1.151 -1.347 -12.973 1.00 41.22 C ATOM 824 CE2 TYR A 56 -0.238 0.410 -13.814 1.00 5.04 C ATOM 825 CZ TYR A 56 0.448 -0.177 -12.774 1.00 4.34 C ATOM 826 OH TYR A 56 0.456 0.418 -11.539 1.00 24.50 O ATOM 0 H TYR A 56 0.945 -3.344 -18.545 1.00 32.10 H new ATOM 0 HA TYR A 56 -0.562 -3.726 -16.154 1.00 4.20 H new ATOM 0 HB2 TYR A 56 1.579 -2.354 -16.794 1.00 3.44 H new ATOM 0 HB3 TYR A 56 0.458 -1.146 -17.390 1.00 3.44 H new ATOM 0 HD1 TYR A 56 1.738 -2.831 -14.383 1.00 54.12 H new ATOM 0 HD2 TYR A 56 -0.767 0.275 -15.871 1.00 54.51 H new ATOM 0 HE1 TYR A 56 1.679 -1.810 -12.152 1.00 41.22 H new ATOM 0 HE2 TYR A 56 -0.786 1.327 -13.655 1.00 5.04 H new ATOM 0 HH TYR A 56 -0.442 0.752 -11.331 1.00 24.50 H new ATOM 836 N LYS A 57 -2.870 -3.205 -16.958 1.00 45.11 N ATOM 837 CA LYS A 57 -4.237 -2.845 -17.329 1.00 4.23 C ATOM 838 C LYS A 57 -4.868 -1.883 -16.333 1.00 61.11 C ATOM 839 O LYS A 57 -5.299 -2.275 -15.254 1.00 74.55 O ATOM 840 CB LYS A 57 -5.122 -4.095 -17.466 1.00 25.33 C ATOM 841 CG LYS A 57 -4.624 -5.114 -18.475 1.00 54.14 C ATOM 842 CD LYS A 57 -5.630 -6.232 -18.678 1.00 23.51 C ATOM 843 CE LYS A 57 -5.079 -7.322 -19.584 1.00 71.31 C ATOM 844 NZ LYS A 57 -6.116 -8.329 -19.929 1.00 72.45 N ATOM 0 H LYS A 57 -2.797 -4.069 -16.421 1.00 45.11 H new ATOM 0 HA LYS A 57 -4.172 -2.342 -18.294 1.00 4.23 H new ATOM 0 HB2 LYS A 57 -5.201 -4.577 -16.491 1.00 25.33 H new ATOM 0 HB3 LYS A 57 -6.127 -3.783 -17.750 1.00 25.33 H new ATOM 0 HG2 LYS A 57 -4.430 -4.620 -19.427 1.00 54.14 H new ATOM 0 HG3 LYS A 57 -3.677 -5.532 -18.134 1.00 54.14 H new ATOM 0 HD2 LYS A 57 -5.898 -6.661 -17.713 1.00 23.51 H new ATOM 0 HD3 LYS A 57 -6.544 -5.826 -19.111 1.00 23.51 H new ATOM 0 HE2 LYS A 57 -4.690 -6.873 -20.498 1.00 71.31 H new ATOM 0 HE3 LYS A 57 -4.242 -7.816 -19.091 1.00 71.31 H new ATOM 0 HZ1 LYS A 57 -5.663 -9.162 -20.357 1.00 72.45 H new ATOM 0 HZ2 LYS A 57 -6.623 -8.615 -19.067 1.00 72.45 H new ATOM 0 HZ3 LYS A 57 -6.790 -7.916 -20.605 1.00 72.45 H new ATOM 858 N MET A 58 -4.907 -0.619 -16.694 1.00 15.33 N ATOM 859 CA MET A 58 -5.683 0.346 -15.938 1.00 12.05 C ATOM 860 C MET A 58 -7.025 0.529 -16.620 1.00 53.21 C ATOM 861 O MET A 58 -7.081 0.712 -17.833 1.00 5.41 O ATOM 862 CB MET A 58 -4.974 1.697 -15.837 1.00 32.13 C ATOM 863 CG MET A 58 -3.632 1.635 -15.138 1.00 43.45 C ATOM 864 SD MET A 58 -2.799 3.229 -15.091 1.00 12.22 S ATOM 865 CE MET A 58 -2.545 3.551 -16.835 1.00 24.22 C ATOM 0 H MET A 58 -4.415 -0.235 -17.501 1.00 15.33 H new ATOM 0 HA MET A 58 -5.810 -0.034 -14.924 1.00 12.05 H new ATOM 0 HB2 MET A 58 -4.832 2.097 -16.841 1.00 32.13 H new ATOM 0 HB3 MET A 58 -5.619 2.396 -15.304 1.00 32.13 H new ATOM 0 HG2 MET A 58 -3.774 1.274 -14.119 1.00 43.45 H new ATOM 0 HG3 MET A 58 -2.995 0.912 -15.647 1.00 43.45 H new ATOM 0 HE1 MET A 58 -1.477 3.632 -17.038 1.00 24.22 H new ATOM 0 HE2 MET A 58 -2.965 2.734 -17.421 1.00 24.22 H new ATOM 0 HE3 MET A 58 -3.038 4.484 -17.108 1.00 24.22 H new ATOM 875 N VAL A 59 -8.107 0.458 -15.851 1.00 72.11 N ATOM 876 CA VAL A 59 -9.439 0.733 -16.394 1.00 3.54 C ATOM 877 C VAL A 59 -9.625 2.248 -16.533 1.00 13.12 C ATOM 878 O VAL A 59 -10.412 2.727 -17.345 1.00 61.21 O ATOM 879 CB VAL A 59 -10.584 0.096 -15.544 1.00 21.15 C ATOM 880 CG1 VAL A 59 -10.308 -1.379 -15.280 1.00 44.21 C ATOM 881 CG2 VAL A 59 -10.831 0.825 -14.229 1.00 33.44 C ATOM 0 H VAL A 59 -8.092 0.215 -14.860 1.00 72.11 H new ATOM 0 HA VAL A 59 -9.505 0.265 -17.376 1.00 3.54 H new ATOM 0 HB VAL A 59 -11.492 0.195 -16.138 1.00 21.15 H new ATOM 0 HG11 VAL A 59 -11.119 -1.800 -14.686 1.00 44.21 H new ATOM 0 HG12 VAL A 59 -10.238 -1.911 -16.228 1.00 44.21 H new ATOM 0 HG13 VAL A 59 -9.369 -1.482 -14.736 1.00 44.21 H new ATOM 0 HG21 VAL A 59 -11.638 0.333 -13.686 1.00 33.44 H new ATOM 0 HG22 VAL A 59 -9.923 0.805 -13.626 1.00 33.44 H new ATOM 0 HG23 VAL A 59 -11.109 1.859 -14.433 1.00 33.44 H new ATOM 891 N GLU A 60 -8.840 2.980 -15.747 1.00 4.20 N ATOM 892 CA GLU A 60 -8.797 4.424 -15.779 1.00 34.45 C ATOM 893 C GLU A 60 -7.375 4.837 -16.097 1.00 75.32 C ATOM 894 O GLU A 60 -6.504 4.822 -15.223 1.00 61.13 O ATOM 895 CB GLU A 60 -9.241 5.022 -14.435 1.00 23.42 C ATOM 896 CG GLU A 60 -10.715 4.817 -14.109 1.00 22.24 C ATOM 897 CD GLU A 60 -11.631 5.708 -14.916 1.00 23.12 C ATOM 898 OE1 GLU A 60 -11.910 6.837 -14.468 1.00 61.41 O ATOM 899 OE2 GLU A 60 -12.087 5.283 -15.990 1.00 12.13 O ATOM 0 H GLU A 60 -8.207 2.570 -15.060 1.00 4.20 H new ATOM 0 HA GLU A 60 -9.483 4.797 -16.539 1.00 34.45 H new ATOM 0 HB2 GLU A 60 -8.641 4.580 -13.639 1.00 23.42 H new ATOM 0 HB3 GLU A 60 -9.028 6.091 -14.439 1.00 23.42 H new ATOM 0 HG2 GLU A 60 -10.979 3.775 -14.290 1.00 22.24 H new ATOM 0 HG3 GLU A 60 -10.876 5.007 -13.048 1.00 22.24 H new ATOM 906 N TYR A 61 -7.138 5.153 -17.362 1.00 52.54 N ATOM 907 CA TYR A 61 -5.809 5.536 -17.842 1.00 31.11 C ATOM 908 C TYR A 61 -5.451 6.944 -17.383 1.00 63.43 C ATOM 909 O TYR A 61 -4.283 7.254 -17.149 1.00 1.23 O ATOM 910 CB TYR A 61 -5.741 5.447 -19.370 1.00 33.50 C ATOM 911 CG TYR A 61 -5.972 4.056 -19.922 1.00 42.34 C ATOM 912 CD1 TYR A 61 -4.956 3.109 -19.923 1.00 12.31 C ATOM 913 CD2 TYR A 61 -7.206 3.691 -20.450 1.00 31.31 C ATOM 914 CE1 TYR A 61 -5.161 1.843 -20.431 1.00 61.01 C ATOM 915 CE2 TYR A 61 -7.418 2.425 -20.959 1.00 45.50 C ATOM 916 CZ TYR A 61 -6.392 1.505 -20.947 1.00 13.11 C ATOM 917 OH TYR A 61 -6.598 0.238 -21.449 1.00 32.42 O ATOM 0 H TYR A 61 -7.856 5.153 -18.086 1.00 52.54 H new ATOM 0 HA TYR A 61 -5.085 4.840 -17.418 1.00 31.11 H new ATOM 0 HB2 TYR A 61 -6.483 6.122 -19.795 1.00 33.50 H new ATOM 0 HB3 TYR A 61 -4.764 5.799 -19.700 1.00 33.50 H new ATOM 0 HD1 TYR A 61 -3.989 3.368 -19.519 1.00 12.31 H new ATOM 0 HD2 TYR A 61 -8.012 4.410 -20.462 1.00 31.31 H new ATOM 0 HE1 TYR A 61 -4.359 1.120 -20.424 1.00 61.01 H new ATOM 0 HE2 TYR A 61 -8.383 2.157 -21.364 1.00 45.50 H new ATOM 0 HH TYR A 61 -7.519 0.161 -21.774 1.00 32.42 H new ATOM 927 N GLY A 62 -6.481 7.770 -17.224 1.00 11.51 N ATOM 928 CA GLY A 62 -6.312 9.120 -16.725 1.00 44.12 C ATOM 929 C GLY A 62 -6.239 9.183 -15.204 1.00 13.22 C ATOM 930 O GLY A 62 -5.862 10.211 -14.645 1.00 42.14 O ATOM 0 H GLY A 62 -7.447 7.520 -17.437 1.00 11.51 H new ATOM 0 HA2 GLY A 62 -5.401 9.547 -17.146 1.00 44.12 H new ATOM 0 HA3 GLY A 62 -7.142 9.737 -17.070 1.00 44.12 H new ATOM 934 N GLY A 63 -6.595 8.074 -14.547 1.00 13.25 N ATOM 935 CA GLY A 63 -6.550 7.991 -13.098 1.00 14.42 C ATOM 936 C GLY A 63 -5.400 7.131 -12.611 1.00 4.12 C ATOM 937 O GLY A 63 -5.562 6.321 -11.699 1.00 72.11 O ATOM 0 H GLY A 63 -6.918 7.222 -15.006 1.00 13.25 H new ATOM 0 HA2 GLY A 63 -6.454 8.993 -12.681 1.00 14.42 H new ATOM 0 HA3 GLY A 63 -7.490 7.581 -12.730 1.00 14.42 H new ATOM 941 N ALA A 64 -4.231 7.326 -13.225 1.00 43.54 N ATOM 942 CA ALA A 64 -3.032 6.548 -12.915 1.00 50.13 C ATOM 943 C ALA A 64 -2.336 7.041 -11.645 1.00 53.42 C ATOM 944 O ALA A 64 -1.708 6.265 -10.934 1.00 23.41 O ATOM 945 CB ALA A 64 -2.068 6.611 -14.090 1.00 44.52 C ATOM 0 H ALA A 64 -4.090 8.028 -13.951 1.00 43.54 H new ATOM 0 HA ALA A 64 -3.341 5.518 -12.738 1.00 50.13 H new ATOM 0 HB1 ALA A 64 -1.174 6.031 -13.859 1.00 44.52 H new ATOM 0 HB2 ALA A 64 -2.549 6.199 -14.977 1.00 44.52 H new ATOM 0 HB3 ALA A 64 -1.789 7.648 -14.277 1.00 44.52 H new ATOM 951 N GLN A 65 -2.493 8.332 -11.341 1.00 72.01 N ATOM 952 CA GLN A 65 -1.775 8.984 -10.237 1.00 22.41 C ATOM 953 C GLN A 65 -2.493 8.800 -8.895 1.00 1.44 C ATOM 954 O GLN A 65 -2.179 9.482 -7.922 1.00 31.41 O ATOM 955 CB GLN A 65 -1.606 10.493 -10.509 1.00 52.44 C ATOM 956 CG GLN A 65 -0.455 10.895 -11.435 1.00 34.33 C ATOM 957 CD GLN A 65 -0.531 10.330 -12.841 1.00 34.24 C ATOM 958 OE1 GLN A 65 -1.177 10.896 -13.716 1.00 13.13 O ATOM 959 NE2 GLN A 65 0.169 9.231 -13.075 1.00 64.35 N ATOM 0 H GLN A 65 -3.119 8.955 -11.850 1.00 72.01 H new ATOM 0 HA GLN A 65 -0.797 8.506 -10.177 1.00 22.41 H new ATOM 0 HB2 GLN A 65 -2.535 10.869 -10.937 1.00 52.44 H new ATOM 0 HB3 GLN A 65 -1.468 10.999 -9.553 1.00 52.44 H new ATOM 0 HG2 GLN A 65 -0.424 11.983 -11.499 1.00 34.33 H new ATOM 0 HG3 GLN A 65 0.483 10.575 -10.982 1.00 34.33 H new ATOM 0 HE21 GLN A 65 0.694 8.790 -12.320 1.00 64.35 H new ATOM 0 HE22 GLN A 65 0.184 8.825 -14.011 1.00 64.35 H new ATOM 968 N ALA A 66 -3.439 7.871 -8.837 1.00 21.42 N ATOM 969 CA ALA A 66 -4.189 7.609 -7.620 1.00 64.30 C ATOM 970 C ALA A 66 -3.917 6.198 -7.081 1.00 10.22 C ATOM 971 O ALA A 66 -4.590 5.737 -6.158 1.00 61.31 O ATOM 972 CB ALA A 66 -5.666 7.829 -7.888 1.00 40.43 C ATOM 0 H ALA A 66 -3.705 7.283 -9.627 1.00 21.42 H new ATOM 0 HA ALA A 66 -3.862 8.303 -6.846 1.00 64.30 H new ATOM 0 HB1 ALA A 66 -6.234 7.634 -6.978 1.00 40.43 H new ATOM 0 HB2 ALA A 66 -5.829 8.860 -8.203 1.00 40.43 H new ATOM 0 HB3 ALA A 66 -5.998 7.152 -8.675 1.00 40.43 H new ATOM 978 N GLU A 67 -2.895 5.537 -7.641 1.00 5.54 N ATOM 979 CA GLU A 67 -2.495 4.196 -7.205 1.00 53.42 C ATOM 980 C GLU A 67 -0.965 4.095 -7.063 1.00 74.52 C ATOM 981 O GLU A 67 -0.235 5.016 -7.446 1.00 63.21 O ATOM 982 CB GLU A 67 -3.053 3.128 -8.171 1.00 21.45 C ATOM 983 CG GLU A 67 -2.799 3.424 -9.642 1.00 52.22 C ATOM 984 CD GLU A 67 -1.759 2.522 -10.261 1.00 61.52 C ATOM 985 OE1 GLU A 67 -0.611 2.523 -9.791 1.00 75.51 O ATOM 986 OE2 GLU A 67 -2.093 1.789 -11.202 1.00 32.24 O ATOM 0 H GLU A 67 -2.329 5.913 -8.401 1.00 5.54 H new ATOM 0 HA GLU A 67 -2.921 4.009 -6.219 1.00 53.42 H new ATOM 0 HB2 GLU A 67 -2.609 2.164 -7.924 1.00 21.45 H new ATOM 0 HB3 GLU A 67 -4.127 3.035 -8.011 1.00 21.45 H new ATOM 0 HG2 GLU A 67 -3.734 3.321 -10.193 1.00 52.22 H new ATOM 0 HG3 GLU A 67 -2.480 4.461 -9.747 1.00 52.22 H new ATOM 993 N TRP A 68 -0.487 2.965 -6.536 1.00 41.14 N ATOM 994 CA TRP A 68 0.928 2.798 -6.183 1.00 61.23 C ATOM 995 C TRP A 68 1.749 2.251 -7.343 1.00 32.31 C ATOM 996 O TRP A 68 1.639 1.071 -7.669 1.00 14.43 O ATOM 997 CB TRP A 68 1.066 1.836 -4.990 1.00 22.02 C ATOM 998 CG TRP A 68 0.097 2.108 -3.888 1.00 11.44 C ATOM 999 CD1 TRP A 68 -0.916 1.301 -3.483 1.00 30.34 C ATOM 1000 CD2 TRP A 68 0.037 3.276 -3.071 1.00 0.10 C ATOM 1001 NE1 TRP A 68 -1.627 1.903 -2.481 1.00 54.02 N ATOM 1002 CE2 TRP A 68 -1.054 3.119 -2.208 1.00 21.54 C ATOM 1003 CE3 TRP A 68 0.797 4.443 -2.995 1.00 64.41 C ATOM 1004 CZ2 TRP A 68 -1.402 4.086 -1.282 1.00 52.23 C ATOM 1005 CZ3 TRP A 68 0.454 5.396 -2.073 1.00 15.52 C ATOM 1006 CH2 TRP A 68 -0.637 5.217 -1.228 1.00 33.45 C ATOM 0 H TRP A 68 -1.063 2.146 -6.343 1.00 41.14 H new ATOM 0 HA TRP A 68 1.308 3.786 -5.925 1.00 61.23 H new ATOM 0 HB2 TRP A 68 0.927 0.813 -5.341 1.00 22.02 H new ATOM 0 HB3 TRP A 68 2.080 1.903 -4.596 1.00 22.02 H new ATOM 0 HD1 TRP A 68 -1.130 0.325 -3.892 1.00 30.34 H new ATOM 0 HE1 TRP A 68 -2.446 1.513 -2.015 1.00 54.02 H new ATOM 0 HE3 TRP A 68 1.641 4.593 -3.652 1.00 64.41 H new ATOM 0 HZ2 TRP A 68 -2.249 3.952 -0.625 1.00 52.23 H new ATOM 0 HZ3 TRP A 68 1.040 6.301 -2.001 1.00 15.52 H new ATOM 0 HH2 TRP A 68 -0.884 5.989 -0.514 1.00 33.45 H new ATOM 1017 N HIS A 69 2.567 3.099 -7.968 1.00 3.22 N ATOM 1018 CA HIS A 69 3.546 2.611 -8.949 1.00 13.22 C ATOM 1019 C HIS A 69 4.874 3.385 -8.877 1.00 34.00 C ATOM 1020 O HIS A 69 5.939 2.777 -8.942 1.00 33.23 O ATOM 1021 CB HIS A 69 2.978 2.546 -10.401 1.00 45.03 C ATOM 1022 CG HIS A 69 2.546 3.844 -11.023 1.00 52.03 C ATOM 1023 ND1 HIS A 69 1.307 4.404 -10.817 1.00 41.31 N ATOM 1024 CD2 HIS A 69 3.192 4.678 -11.863 1.00 31.33 C ATOM 1025 CE1 HIS A 69 1.221 5.527 -11.491 1.00 21.34 C ATOM 1026 NE2 HIS A 69 2.347 5.720 -12.136 1.00 61.15 N ATOM 0 H HIS A 69 2.575 4.108 -7.819 1.00 3.22 H new ATOM 0 HA HIS A 69 3.763 1.580 -8.668 1.00 13.22 H new ATOM 0 HB2 HIS A 69 3.738 2.099 -11.042 1.00 45.03 H new ATOM 0 HB3 HIS A 69 2.123 1.870 -10.401 1.00 45.03 H new ATOM 0 HD1 HIS A 69 0.571 4.009 -10.232 1.00 41.31 H new ATOM 0 HD2 HIS A 69 4.192 4.548 -12.249 1.00 31.33 H new ATOM 0 HE1 HIS A 69 0.364 6.184 -11.511 1.00 21.34 H new ATOM 1035 N GLU A 70 4.821 4.709 -8.740 1.00 72.11 N ATOM 1036 CA GLU A 70 6.046 5.510 -8.603 1.00 51.44 C ATOM 1037 C GLU A 70 6.033 6.291 -7.298 1.00 63.43 C ATOM 1038 O GLU A 70 7.004 6.281 -6.546 1.00 24.32 O ATOM 1039 CB GLU A 70 6.219 6.506 -9.768 1.00 11.22 C ATOM 1040 CG GLU A 70 6.409 5.881 -11.147 1.00 45.14 C ATOM 1041 CD GLU A 70 7.590 4.934 -11.230 1.00 1.22 C ATOM 1042 OE1 GLU A 70 8.740 5.386 -11.063 1.00 23.05 O ATOM 1043 OE2 GLU A 70 7.368 3.736 -11.484 1.00 5.42 O ATOM 0 H GLU A 70 3.956 5.249 -8.720 1.00 72.11 H new ATOM 0 HA GLU A 70 6.880 4.808 -8.614 1.00 51.44 H new ATOM 0 HB2 GLU A 70 5.344 7.155 -9.800 1.00 11.22 H new ATOM 0 HB3 GLU A 70 7.079 7.141 -9.555 1.00 11.22 H new ATOM 0 HG2 GLU A 70 5.502 5.341 -11.419 1.00 45.14 H new ATOM 0 HG3 GLU A 70 6.540 6.676 -11.881 1.00 45.14 H new ATOM 1050 N GLN A 71 4.877 6.907 -7.021 1.00 13.52 N ATOM 1051 CA GLN A 71 4.685 7.866 -5.913 1.00 74.41 C ATOM 1052 C GLN A 71 4.684 7.167 -4.547 1.00 2.25 C ATOM 1053 O GLN A 71 4.792 7.815 -3.505 1.00 42.10 O ATOM 1054 CB GLN A 71 3.344 8.623 -6.074 1.00 32.30 C ATOM 1055 CG GLN A 71 2.884 8.853 -7.516 1.00 70.22 C ATOM 1056 CD GLN A 71 1.959 7.750 -8.020 1.00 10.34 C ATOM 1057 OE1 GLN A 71 2.406 6.747 -8.582 1.00 40.33 O ATOM 1058 NE2 GLN A 71 0.669 7.928 -7.825 1.00 10.45 N ATOM 0 H GLN A 71 4.030 6.754 -7.568 1.00 13.52 H new ATOM 0 HA GLN A 71 5.521 8.564 -5.954 1.00 74.41 H new ATOM 0 HB2 GLN A 71 2.568 8.067 -5.548 1.00 32.30 H new ATOM 0 HB3 GLN A 71 3.432 9.591 -5.581 1.00 32.30 H new ATOM 0 HG2 GLN A 71 2.369 9.812 -7.581 1.00 70.22 H new ATOM 0 HG3 GLN A 71 3.757 8.915 -8.166 1.00 70.22 H new ATOM 0 HE21 GLN A 71 0.336 8.770 -7.356 1.00 10.45 H new ATOM 0 HE22 GLN A 71 0.003 7.224 -8.143 1.00 10.45 H new ATOM 1067 N ALA A 72 4.570 5.837 -4.589 1.00 1.54 N ATOM 1068 CA ALA A 72 4.566 4.989 -3.408 1.00 15.42 C ATOM 1069 C ALA A 72 5.928 4.955 -2.712 1.00 10.10 C ATOM 1070 O ALA A 72 5.985 4.702 -1.518 1.00 10.53 O ATOM 1071 CB ALA A 72 4.142 3.588 -3.793 1.00 0.42 C ATOM 0 H ALA A 72 4.477 5.317 -5.461 1.00 1.54 H new ATOM 0 HA ALA A 72 3.855 5.412 -2.698 1.00 15.42 H new ATOM 0 HB1 ALA A 72 4.139 2.952 -2.907 1.00 0.42 H new ATOM 0 HB2 ALA A 72 3.141 3.616 -4.223 1.00 0.42 H new ATOM 0 HB3 ALA A 72 4.840 3.185 -4.526 1.00 0.42 H new ATOM 1077 N GLU A 73 7.010 5.219 -3.471 1.00 32.43 N ATOM 1078 CA GLU A 73 8.390 5.221 -2.952 1.00 61.22 C ATOM 1079 C GLU A 73 8.604 6.283 -1.852 1.00 3.51 C ATOM 1080 O GLU A 73 9.397 6.078 -0.924 1.00 44.31 O ATOM 1081 CB GLU A 73 9.380 5.456 -4.098 1.00 31.12 C ATOM 1082 CG GLU A 73 10.837 5.316 -3.682 1.00 72.25 C ATOM 1083 CD GLU A 73 11.799 5.848 -4.713 1.00 21.55 C ATOM 1084 OE1 GLU A 73 12.143 7.049 -4.644 1.00 41.04 O ATOM 1085 OE2 GLU A 73 12.223 5.075 -5.585 1.00 22.30 O ATOM 0 H GLU A 73 6.950 5.438 -4.465 1.00 32.43 H new ATOM 0 HA GLU A 73 8.566 4.244 -2.502 1.00 61.22 H new ATOM 0 HB2 GLU A 73 9.170 4.748 -4.900 1.00 31.12 H new ATOM 0 HB3 GLU A 73 9.221 6.455 -4.505 1.00 31.12 H new ATOM 0 HG2 GLU A 73 10.993 5.844 -2.741 1.00 72.25 H new ATOM 0 HG3 GLU A 73 11.057 4.264 -3.497 1.00 72.25 H new ATOM 1092 N LYS A 74 7.890 7.403 -1.946 1.00 14.23 N ATOM 1093 CA LYS A 74 7.975 8.445 -0.923 1.00 44.12 C ATOM 1094 C LYS A 74 7.300 7.990 0.368 1.00 73.32 C ATOM 1095 O LYS A 74 7.842 8.159 1.462 1.00 44.32 O ATOM 1096 CB LYS A 74 7.336 9.752 -1.419 1.00 25.12 C ATOM 1097 CG LYS A 74 8.012 10.390 -2.634 1.00 55.24 C ATOM 1098 CD LYS A 74 9.407 10.946 -2.331 1.00 55.23 C ATOM 1099 CE LYS A 74 10.522 9.913 -2.530 1.00 50.52 C ATOM 1100 NZ LYS A 74 10.651 9.482 -3.947 1.00 60.01 N ATOM 0 H LYS A 74 7.251 7.612 -2.713 1.00 14.23 H new ATOM 0 HA LYS A 74 9.030 8.629 -0.720 1.00 44.12 H new ATOM 0 HB2 LYS A 74 6.292 9.556 -1.666 1.00 25.12 H new ATOM 0 HB3 LYS A 74 7.341 10.473 -0.601 1.00 25.12 H new ATOM 0 HG2 LYS A 74 8.089 9.648 -3.429 1.00 55.24 H new ATOM 0 HG3 LYS A 74 7.382 11.196 -3.010 1.00 55.24 H new ATOM 0 HD2 LYS A 74 9.597 11.805 -2.974 1.00 55.23 H new ATOM 0 HD3 LYS A 74 9.433 11.306 -1.302 1.00 55.23 H new ATOM 0 HE2 LYS A 74 11.469 10.336 -2.194 1.00 50.52 H new ATOM 0 HE3 LYS A 74 10.322 9.042 -1.905 1.00 50.52 H new ATOM 0 HZ1 LYS A 74 11.450 8.823 -4.038 1.00 60.01 H new ATOM 0 HZ2 LYS A 74 9.775 9.008 -4.247 1.00 60.01 H new ATOM 0 HZ3 LYS A 74 10.818 10.313 -4.549 1.00 60.01 H new ATOM 1114 N VAL A 75 6.141 7.362 0.198 1.00 63.05 N ATOM 1115 CA VAL A 75 5.263 6.966 1.297 1.00 4.40 C ATOM 1116 C VAL A 75 5.841 5.773 2.090 1.00 51.41 C ATOM 1117 O VAL A 75 5.744 5.720 3.324 1.00 44.04 O ATOM 1118 CB VAL A 75 3.857 6.591 0.750 1.00 10.54 C ATOM 1119 CG1 VAL A 75 2.836 6.561 1.859 1.00 22.42 C ATOM 1120 CG2 VAL A 75 3.396 7.545 -0.349 1.00 61.21 C ATOM 0 H VAL A 75 5.778 7.109 -0.721 1.00 63.05 H new ATOM 0 HA VAL A 75 5.182 7.817 1.974 1.00 4.40 H new ATOM 0 HB VAL A 75 3.945 5.594 0.317 1.00 10.54 H new ATOM 0 HG11 VAL A 75 1.861 6.296 1.449 1.00 22.42 H new ATOM 0 HG12 VAL A 75 3.130 5.821 2.604 1.00 22.42 H new ATOM 0 HG13 VAL A 75 2.778 7.544 2.327 1.00 22.42 H new ATOM 0 HG21 VAL A 75 2.409 7.245 -0.701 1.00 61.21 H new ATOM 0 HG22 VAL A 75 3.347 8.559 0.047 1.00 61.21 H new ATOM 0 HG23 VAL A 75 4.102 7.513 -1.178 1.00 61.21 H new ATOM 1130 N GLU A 76 6.459 4.833 1.363 1.00 71.01 N ATOM 1131 CA GLU A 76 6.997 3.597 1.941 1.00 22.11 C ATOM 1132 C GLU A 76 8.207 3.848 2.862 1.00 50.50 C ATOM 1133 O GLU A 76 8.357 3.170 3.879 1.00 41.50 O ATOM 1134 CB GLU A 76 7.378 2.597 0.837 1.00 13.33 C ATOM 1135 CG GLU A 76 8.432 3.101 -0.129 1.00 33.14 C ATOM 1136 CD GLU A 76 9.359 2.026 -0.635 1.00 33.31 C ATOM 1137 OE1 GLU A 76 10.380 1.771 0.028 1.00 21.42 O ATOM 1138 OE2 GLU A 76 9.098 1.461 -1.702 1.00 70.15 O ATOM 0 H GLU A 76 6.600 4.909 0.356 1.00 71.01 H new ATOM 0 HA GLU A 76 6.202 3.173 2.555 1.00 22.11 H new ATOM 0 HB2 GLU A 76 7.739 1.680 1.303 1.00 13.33 H new ATOM 0 HB3 GLU A 76 6.481 2.337 0.274 1.00 13.33 H new ATOM 0 HG2 GLU A 76 7.937 3.570 -0.979 1.00 33.14 H new ATOM 0 HG3 GLU A 76 9.022 3.874 0.363 1.00 33.14 H new ATOM 1145 N ALA A 77 9.060 4.825 2.497 1.00 61.35 N ATOM 1146 CA ALA A 77 10.250 5.179 3.284 1.00 64.01 C ATOM 1147 C ALA A 77 9.883 5.723 4.661 1.00 52.54 C ATOM 1148 O ALA A 77 10.576 5.460 5.648 1.00 64.14 O ATOM 1149 CB ALA A 77 11.088 6.195 2.535 1.00 41.41 C ATOM 0 H ALA A 77 8.942 5.386 1.653 1.00 61.35 H new ATOM 0 HA ALA A 77 10.827 4.266 3.431 1.00 64.01 H new ATOM 0 HB1 ALA A 77 11.967 6.450 3.128 1.00 41.41 H new ATOM 0 HB2 ALA A 77 11.404 5.774 1.581 1.00 41.41 H new ATOM 0 HB3 ALA A 77 10.497 7.094 2.357 1.00 41.41 H new ATOM 1155 N TYR A 78 8.768 6.458 4.709 1.00 73.02 N ATOM 1156 CA TYR A 78 8.235 7.005 5.950 1.00 1.40 C ATOM 1157 C TYR A 78 7.715 5.888 6.873 1.00 64.03 C ATOM 1158 O TYR A 78 7.828 5.992 8.078 1.00 71.31 O ATOM 1159 CB TYR A 78 7.131 8.017 5.632 1.00 43.31 C ATOM 1160 CG TYR A 78 6.631 8.816 6.820 1.00 31.13 C ATOM 1161 CD1 TYR A 78 7.385 9.856 7.348 1.00 42.24 C ATOM 1162 CD2 TYR A 78 5.398 8.541 7.400 1.00 24.02 C ATOM 1163 CE1 TYR A 78 6.927 10.596 8.421 1.00 3.53 C ATOM 1164 CE2 TYR A 78 4.933 9.277 8.469 1.00 22.11 C ATOM 1165 CZ TYR A 78 5.701 10.305 8.976 1.00 24.12 C ATOM 1166 OH TYR A 78 5.240 11.031 10.053 1.00 74.31 O ATOM 0 H TYR A 78 8.213 6.688 3.885 1.00 73.02 H new ATOM 0 HA TYR A 78 9.038 7.515 6.483 1.00 1.40 H new ATOM 0 HB2 TYR A 78 7.501 8.711 4.877 1.00 43.31 H new ATOM 0 HB3 TYR A 78 6.288 7.485 5.190 1.00 43.31 H new ATOM 0 HD1 TYR A 78 8.345 10.090 6.913 1.00 42.24 H new ATOM 0 HD2 TYR A 78 4.794 7.737 7.006 1.00 24.02 H new ATOM 0 HE1 TYR A 78 7.528 11.399 8.822 1.00 3.53 H new ATOM 0 HE2 TYR A 78 3.972 9.050 8.907 1.00 22.11 H new ATOM 0 HH TYR A 78 4.283 10.860 10.178 1.00 74.31 H new ATOM 1176 N LEU A 79 7.171 4.817 6.302 1.00 4.44 N ATOM 1177 CA LEU A 79 6.648 3.696 7.091 1.00 52.53 C ATOM 1178 C LEU A 79 7.788 2.916 7.774 1.00 25.30 C ATOM 1179 O LEU A 79 7.651 2.515 8.933 1.00 54.40 O ATOM 1180 CB LEU A 79 5.799 2.783 6.179 1.00 62.44 C ATOM 1181 CG LEU A 79 4.877 1.723 6.842 1.00 41.02 C ATOM 1182 CD1 LEU A 79 5.610 0.422 7.134 1.00 25.34 C ATOM 1183 CD2 LEU A 79 4.222 2.263 8.110 1.00 24.14 C ATOM 0 H LEU A 79 7.079 4.698 5.293 1.00 4.44 H new ATOM 0 HA LEU A 79 6.012 4.083 7.887 1.00 52.53 H new ATOM 0 HB2 LEU A 79 5.173 3.424 5.558 1.00 62.44 H new ATOM 0 HB3 LEU A 79 6.480 2.258 5.510 1.00 62.44 H new ATOM 0 HG LEU A 79 4.092 1.503 6.118 1.00 41.02 H new ATOM 0 HD11 LEU A 79 4.923 -0.287 7.597 1.00 25.34 H new ATOM 0 HD12 LEU A 79 5.991 0.002 6.203 1.00 25.34 H new ATOM 0 HD13 LEU A 79 6.441 0.617 7.811 1.00 25.34 H new ATOM 0 HD21 LEU A 79 3.584 1.494 8.546 1.00 24.14 H new ATOM 0 HD22 LEU A 79 4.994 2.544 8.827 1.00 24.14 H new ATOM 0 HD23 LEU A 79 3.619 3.137 7.864 1.00 24.14 H new ATOM 1195 N VAL A 80 8.901 2.726 7.060 1.00 63.53 N ATOM 1196 CA VAL A 80 10.055 1.975 7.585 1.00 33.23 C ATOM 1197 C VAL A 80 10.735 2.722 8.756 1.00 73.03 C ATOM 1198 O VAL A 80 11.175 2.096 9.720 1.00 50.23 O ATOM 1199 CB VAL A 80 11.089 1.657 6.455 1.00 64.21 C ATOM 1200 CG1 VAL A 80 12.270 0.829 6.962 1.00 11.33 C ATOM 1201 CG2 VAL A 80 10.418 0.921 5.302 1.00 5.52 C ATOM 0 H VAL A 80 9.032 3.082 6.113 1.00 63.53 H new ATOM 0 HA VAL A 80 9.674 1.029 7.970 1.00 33.23 H new ATOM 0 HB VAL A 80 11.473 2.616 6.108 1.00 64.21 H new ATOM 0 HG11 VAL A 80 12.958 0.635 6.139 1.00 11.33 H new ATOM 0 HG12 VAL A 80 12.789 1.378 7.748 1.00 11.33 H new ATOM 0 HG13 VAL A 80 11.906 -0.118 7.361 1.00 11.33 H new ATOM 0 HG21 VAL A 80 11.155 0.710 4.527 1.00 5.52 H new ATOM 0 HG22 VAL A 80 9.995 -0.015 5.665 1.00 5.52 H new ATOM 0 HG23 VAL A 80 9.624 1.542 4.887 1.00 5.52 H new ATOM 1211 N GLU A 81 10.789 4.055 8.691 1.00 40.44 N ATOM 1212 CA GLU A 81 11.359 4.843 9.789 1.00 62.11 C ATOM 1213 C GLU A 81 10.390 4.982 10.980 1.00 31.41 C ATOM 1214 O GLU A 81 10.833 5.047 12.124 1.00 15.23 O ATOM 1215 CB GLU A 81 11.841 6.223 9.310 1.00 51.24 C ATOM 1216 CG GLU A 81 10.775 7.076 8.649 1.00 41.55 C ATOM 1217 CD GLU A 81 11.273 8.446 8.257 1.00 71.02 C ATOM 1218 OE1 GLU A 81 12.091 8.545 7.323 1.00 71.14 O ATOM 1219 OE2 GLU A 81 10.842 9.435 8.883 1.00 41.41 O ATOM 0 H GLU A 81 10.450 4.606 7.902 1.00 40.44 H new ATOM 0 HA GLU A 81 12.227 4.288 10.144 1.00 62.11 H new ATOM 0 HB2 GLU A 81 12.244 6.768 10.164 1.00 51.24 H new ATOM 0 HB3 GLU A 81 12.661 6.081 8.606 1.00 51.24 H new ATOM 0 HG2 GLU A 81 10.406 6.562 7.761 1.00 41.55 H new ATOM 0 HG3 GLU A 81 9.930 7.184 9.330 1.00 41.55 H new ATOM 1226 N LYS A 82 9.075 5.019 10.718 1.00 72.12 N ATOM 1227 CA LYS A 82 8.081 5.235 11.780 1.00 75.02 C ATOM 1228 C LYS A 82 7.771 3.970 12.560 1.00 14.43 C ATOM 1229 O LYS A 82 7.465 4.047 13.752 1.00 3.10 O ATOM 1230 CB LYS A 82 6.765 5.775 11.200 1.00 22.44 C ATOM 1231 CG LYS A 82 6.831 7.219 10.725 1.00 61.22 C ATOM 1232 CD LYS A 82 7.192 8.198 11.832 1.00 24.34 C ATOM 1233 CE LYS A 82 6.072 8.366 12.850 1.00 51.42 C ATOM 1234 NZ LYS A 82 4.824 8.889 12.234 1.00 63.14 N ATOM 0 H LYS A 82 8.677 4.903 9.786 1.00 72.12 H new ATOM 0 HA LYS A 82 8.527 5.963 12.458 1.00 75.02 H new ATOM 0 HB2 LYS A 82 6.465 5.144 10.363 1.00 22.44 H new ATOM 0 HB3 LYS A 82 5.987 5.690 11.958 1.00 22.44 H new ATOM 0 HG2 LYS A 82 7.567 7.298 9.925 1.00 61.22 H new ATOM 0 HG3 LYS A 82 5.867 7.500 10.301 1.00 61.22 H new ATOM 0 HD2 LYS A 82 8.092 7.851 12.340 1.00 24.34 H new ATOM 0 HD3 LYS A 82 7.428 9.167 11.393 1.00 24.34 H new ATOM 0 HE2 LYS A 82 5.866 7.406 13.323 1.00 51.42 H new ATOM 0 HE3 LYS A 82 6.398 9.045 13.637 1.00 51.42 H new ATOM 0 HZ1 LYS A 82 4.183 9.225 12.981 1.00 63.14 H new ATOM 0 HZ2 LYS A 82 5.056 9.677 11.596 1.00 63.14 H new ATOM 0 HZ3 LYS A 82 4.359 8.131 11.694 1.00 63.14 H new ATOM 1248 N GLN A 83 7.823 2.819 11.854 1.00 34.21 N ATOM 1249 CA GLN A 83 7.500 1.482 12.397 1.00 13.54 C ATOM 1250 C GLN A 83 6.024 1.357 12.808 1.00 2.41 C ATOM 1251 O GLN A 83 5.649 0.401 13.479 1.00 24.22 O ATOM 1252 CB GLN A 83 8.401 1.114 13.596 1.00 30.44 C ATOM 1253 CG GLN A 83 9.862 0.927 13.247 1.00 25.34 C ATOM 1254 CD GLN A 83 10.103 -0.314 12.427 1.00 73.13 C ATOM 1255 OE1 GLN A 83 10.302 -1.392 12.967 1.00 32.30 O ATOM 1256 NE2 GLN A 83 10.099 -0.172 11.119 1.00 0.54 N ATOM 0 H GLN A 83 8.096 2.793 10.872 1.00 34.21 H new ATOM 0 HA GLN A 83 7.690 0.780 11.585 1.00 13.54 H new ATOM 0 HB2 GLN A 83 8.318 1.896 14.351 1.00 30.44 H new ATOM 0 HB3 GLN A 83 8.027 0.195 14.047 1.00 30.44 H new ATOM 0 HG2 GLN A 83 10.215 1.798 12.695 1.00 25.34 H new ATOM 0 HG3 GLN A 83 10.448 0.872 14.165 1.00 25.34 H new ATOM 0 HE21 GLN A 83 9.929 0.745 10.706 1.00 0.54 H new ATOM 0 HE22 GLN A 83 10.266 -0.979 10.518 1.00 0.54 H new ATOM 1265 N ASP A 84 5.183 2.296 12.380 1.00 40.01 N ATOM 1266 CA ASP A 84 3.817 2.354 12.861 1.00 0.25 C ATOM 1267 C ASP A 84 2.861 2.657 11.713 1.00 32.31 C ATOM 1268 O ASP A 84 2.956 3.711 11.078 1.00 54.32 O ATOM 1269 CB ASP A 84 3.688 3.409 13.962 1.00 10.13 C ATOM 1270 CG ASP A 84 2.540 3.113 14.902 1.00 50.43 C ATOM 1271 OD1 ASP A 84 1.387 3.396 14.548 1.00 31.52 O ATOM 1272 OD2 ASP A 84 2.797 2.592 16.002 1.00 62.52 O ATOM 0 H ASP A 84 5.428 3.020 11.705 1.00 40.01 H new ATOM 0 HA ASP A 84 3.552 1.383 13.279 1.00 0.25 H new ATOM 0 HB2 ASP A 84 4.618 3.456 14.529 1.00 10.13 H new ATOM 0 HB3 ASP A 84 3.541 4.389 13.509 1.00 10.13 H new ATOM 1277 N PRO A 85 1.921 1.724 11.433 1.00 35.21 N ATOM 1278 CA PRO A 85 0.974 1.836 10.306 1.00 61.12 C ATOM 1279 C PRO A 85 -0.218 2.778 10.564 1.00 42.14 C ATOM 1280 O PRO A 85 -0.969 3.081 9.646 1.00 70.12 O ATOM 1281 CB PRO A 85 0.472 0.402 10.169 1.00 73.40 C ATOM 1282 CG PRO A 85 0.497 -0.137 11.553 1.00 21.32 C ATOM 1283 CD PRO A 85 1.722 0.455 12.182 1.00 2.31 C ATOM 0 HA PRO A 85 1.457 2.260 9.425 1.00 61.12 H new ATOM 0 HB2 PRO A 85 -0.534 0.372 9.750 1.00 73.40 H new ATOM 0 HB3 PRO A 85 1.111 -0.180 9.505 1.00 73.40 H new ATOM 0 HG2 PRO A 85 -0.402 0.144 12.101 1.00 21.32 H new ATOM 0 HG3 PRO A 85 0.542 -1.226 11.551 1.00 21.32 H new ATOM 0 HD2 PRO A 85 1.578 0.636 13.247 1.00 2.31 H new ATOM 0 HD3 PRO A 85 2.582 -0.207 12.085 1.00 2.31 H new ATOM 1291 N THR A 86 -0.395 3.216 11.806 1.00 15.32 N ATOM 1292 CA THR A 86 -1.549 4.029 12.163 1.00 60.44 C ATOM 1293 C THR A 86 -1.135 5.407 12.702 1.00 50.24 C ATOM 1294 O THR A 86 -1.979 6.296 12.868 1.00 52.42 O ATOM 1295 CB THR A 86 -2.501 3.269 13.148 1.00 31.31 C ATOM 1296 OG1 THR A 86 -3.548 4.117 13.635 1.00 31.44 O ATOM 1297 CG2 THR A 86 -1.763 2.650 14.323 1.00 21.11 C ATOM 0 H THR A 86 0.243 3.022 12.578 1.00 15.32 H new ATOM 0 HA THR A 86 -2.114 4.211 11.249 1.00 60.44 H new ATOM 0 HB THR A 86 -2.939 2.460 12.563 1.00 31.31 H new ATOM 0 HG1 THR A 86 -3.355 5.047 13.393 1.00 31.44 H new ATOM 0 HG21 THR A 86 -2.475 2.137 14.970 1.00 21.11 H new ATOM 0 HG22 THR A 86 -1.027 1.935 13.955 1.00 21.11 H new ATOM 0 HG23 THR A 86 -1.257 3.433 14.888 1.00 21.11 H new ATOM 1305 N ASP A 87 0.162 5.612 12.940 1.00 41.24 N ATOM 1306 CA ASP A 87 0.640 6.917 13.374 1.00 51.04 C ATOM 1307 C ASP A 87 0.969 7.783 12.158 1.00 2.11 C ATOM 1308 O ASP A 87 2.074 7.733 11.600 1.00 72.02 O ATOM 1309 CB ASP A 87 1.842 6.799 14.314 1.00 22.42 C ATOM 1310 CG ASP A 87 2.167 8.118 14.988 1.00 44.43 C ATOM 1311 OD1 ASP A 87 1.426 8.522 15.905 1.00 62.02 O ATOM 1312 OD2 ASP A 87 3.164 8.753 14.607 1.00 65.44 O ATOM 0 H ASP A 87 0.886 4.901 12.840 1.00 41.24 H new ATOM 0 HA ASP A 87 -0.156 7.399 13.942 1.00 51.04 H new ATOM 0 HB2 ASP A 87 1.636 6.045 15.073 1.00 22.42 H new ATOM 0 HB3 ASP A 87 2.710 6.456 13.751 1.00 22.42 H new ATOM 1317 N ILE A 88 -0.042 8.530 11.740 1.00 61.21 N ATOM 1318 CA ILE A 88 0.025 9.419 10.591 1.00 14.11 C ATOM 1319 C ILE A 88 -1.149 10.404 10.676 1.00 30.02 C ATOM 1320 O ILE A 88 -2.238 10.052 11.143 1.00 13.21 O ATOM 1321 CB ILE A 88 0.016 8.619 9.233 1.00 24.51 C ATOM 1322 CG1 ILE A 88 0.150 9.541 8.006 1.00 35.20 C ATOM 1323 CG2 ILE A 88 -1.239 7.755 9.097 1.00 24.32 C ATOM 1324 CD1 ILE A 88 1.480 10.258 7.896 1.00 54.24 C ATOM 0 H ILE A 88 -0.952 8.535 12.201 1.00 61.21 H new ATOM 0 HA ILE A 88 0.966 9.969 10.610 1.00 14.11 H new ATOM 0 HB ILE A 88 0.890 7.969 9.262 1.00 24.51 H new ATOM 0 HG12 ILE A 88 -0.003 8.948 7.104 1.00 35.20 H new ATOM 0 HG13 ILE A 88 -0.647 10.284 8.038 1.00 35.20 H new ATOM 0 HG21 ILE A 88 -1.210 7.218 8.149 1.00 24.32 H new ATOM 0 HG22 ILE A 88 -1.279 7.039 9.918 1.00 24.32 H new ATOM 0 HG23 ILE A 88 -2.124 8.391 9.127 1.00 24.32 H new ATOM 0 HD11 ILE A 88 1.483 10.883 7.003 1.00 54.24 H new ATOM 0 HD12 ILE A 88 1.631 10.882 8.777 1.00 54.24 H new ATOM 0 HD13 ILE A 88 2.284 9.525 7.829 1.00 54.24 H new ATOM 1336 N LYS A 89 -0.913 11.644 10.281 1.00 31.24 N ATOM 1337 CA LYS A 89 -1.947 12.657 10.300 1.00 12.35 C ATOM 1338 C LYS A 89 -2.156 13.201 8.897 1.00 14.45 C ATOM 1339 O LYS A 89 -1.193 13.538 8.202 1.00 33.02 O ATOM 1340 CB LYS A 89 -1.568 13.779 11.273 1.00 55.12 C ATOM 1341 CG LYS A 89 -2.722 14.720 11.618 1.00 13.01 C ATOM 1342 CD LYS A 89 -2.356 15.696 12.734 1.00 61.02 C ATOM 1343 CE LYS A 89 -2.047 14.983 14.056 1.00 10.14 C ATOM 1344 NZ LYS A 89 -3.218 14.235 14.594 1.00 10.15 N ATOM 0 H LYS A 89 -0.008 11.971 9.942 1.00 31.24 H new ATOM 0 HA LYS A 89 -2.882 12.214 10.643 1.00 12.35 H new ATOM 0 HB2 LYS A 89 -1.188 13.335 12.193 1.00 55.12 H new ATOM 0 HB3 LYS A 89 -0.755 14.362 10.840 1.00 55.12 H new ATOM 0 HG2 LYS A 89 -3.011 15.280 10.728 1.00 13.01 H new ATOM 0 HG3 LYS A 89 -3.589 14.133 11.921 1.00 13.01 H new ATOM 0 HD2 LYS A 89 -1.489 16.283 12.430 1.00 61.02 H new ATOM 0 HD3 LYS A 89 -3.178 16.396 12.885 1.00 61.02 H new ATOM 0 HE2 LYS A 89 -1.218 14.292 13.906 1.00 10.14 H new ATOM 0 HE3 LYS A 89 -1.721 15.717 14.792 1.00 10.14 H new ATOM 0 HZ1 LYS A 89 -2.998 13.887 15.549 1.00 10.15 H new ATOM 0 HZ2 LYS A 89 -4.043 14.866 14.637 1.00 10.15 H new ATOM 0 HZ3 LYS A 89 -3.431 13.429 13.972 1.00 10.15 H new ATOM 1358 N TYR A 90 -3.410 13.251 8.472 1.00 71.14 N ATOM 1359 CA TYR A 90 -3.748 13.794 7.164 1.00 63.41 C ATOM 1360 C TYR A 90 -4.532 15.077 7.302 1.00 63.22 C ATOM 1361 O TYR A 90 -5.246 15.281 8.285 1.00 11.11 O ATOM 1362 CB TYR A 90 -4.578 12.824 6.325 1.00 23.21 C ATOM 1363 CG TYR A 90 -4.002 11.441 6.199 1.00 14.24 C ATOM 1364 CD1 TYR A 90 -2.808 11.225 5.532 1.00 12.43 C ATOM 1365 CD2 TYR A 90 -4.669 10.352 6.733 1.00 61.40 C ATOM 1366 CE1 TYR A 90 -2.296 9.959 5.405 1.00 23.11 C ATOM 1367 CE2 TYR A 90 -4.164 9.082 6.606 1.00 61.33 C ATOM 1368 CZ TYR A 90 -2.979 8.891 5.943 1.00 71.44 C ATOM 1369 OH TYR A 90 -2.481 7.628 5.809 1.00 21.20 O ATOM 0 H TYR A 90 -4.210 12.923 9.013 1.00 71.14 H new ATOM 0 HA TYR A 90 -2.798 13.975 6.660 1.00 63.41 H new ATOM 0 HB2 TYR A 90 -5.573 12.748 6.763 1.00 23.21 H new ATOM 0 HB3 TYR A 90 -4.700 13.243 5.326 1.00 23.21 H new ATOM 0 HD1 TYR A 90 -2.274 12.062 5.107 1.00 12.43 H new ATOM 0 HD2 TYR A 90 -5.601 10.504 7.257 1.00 61.40 H new ATOM 0 HE1 TYR A 90 -1.362 9.800 4.886 1.00 23.11 H new ATOM 0 HE2 TYR A 90 -4.696 8.240 7.025 1.00 61.33 H new ATOM 0 HH TYR A 90 -1.505 7.651 5.894 1.00 21.20 H new ATOM 1379 N LYS A 91 -4.385 15.934 6.307 1.00 31.34 N ATOM 1380 CA LYS A 91 -5.166 17.153 6.212 1.00 10.00 C ATOM 1381 C LYS A 91 -5.588 17.389 4.759 1.00 25.54 C ATOM 1382 O LYS A 91 -4.924 18.112 4.009 1.00 40.12 O ATOM 1383 CB LYS A 91 -4.400 18.377 6.798 1.00 34.34 C ATOM 1384 CG LYS A 91 -2.882 18.193 7.025 1.00 73.12 C ATOM 1385 CD LYS A 91 -2.038 18.337 5.761 1.00 5.33 C ATOM 1386 CE LYS A 91 -1.995 19.778 5.277 1.00 61.13 C ATOM 1387 NZ LYS A 91 -0.939 19.989 4.258 1.00 61.54 N ATOM 0 H LYS A 91 -3.721 15.804 5.543 1.00 31.34 H new ATOM 0 HA LYS A 91 -6.065 17.035 6.817 1.00 10.00 H new ATOM 0 HB2 LYS A 91 -4.545 19.224 6.127 1.00 34.34 H new ATOM 0 HB3 LYS A 91 -4.858 18.643 7.751 1.00 34.34 H new ATOM 0 HG2 LYS A 91 -2.545 18.925 7.759 1.00 73.12 H new ATOM 0 HG3 LYS A 91 -2.707 17.207 7.455 1.00 73.12 H new ATOM 0 HD2 LYS A 91 -1.024 17.989 5.958 1.00 5.33 H new ATOM 0 HD3 LYS A 91 -2.447 17.701 4.976 1.00 5.33 H new ATOM 0 HE2 LYS A 91 -2.964 20.049 4.857 1.00 61.13 H new ATOM 0 HE3 LYS A 91 -1.819 20.440 6.125 1.00 61.13 H new ATOM 0 HZ1 LYS A 91 -1.290 20.635 3.523 1.00 61.54 H new ATOM 0 HZ2 LYS A 91 -0.098 20.403 4.710 1.00 61.54 H new ATOM 0 HZ3 LYS A 91 -0.687 19.077 3.826 1.00 61.54 H new ATOM 1401 N ASP A 92 -6.679 16.721 4.357 1.00 32.15 N ATOM 1402 CA ASP A 92 -7.248 16.836 3.014 1.00 64.22 C ATOM 1403 C ASP A 92 -8.702 16.317 3.056 1.00 41.40 C ATOM 1404 O ASP A 92 -9.299 16.229 4.131 1.00 65.01 O ATOM 1405 CB ASP A 92 -6.406 16.002 2.028 1.00 41.41 C ATOM 1406 CG ASP A 92 -6.508 16.473 0.587 1.00 42.21 C ATOM 1407 OD1 ASP A 92 -5.886 17.497 0.250 1.00 62.10 O ATOM 1408 OD2 ASP A 92 -7.213 15.819 -0.205 1.00 33.23 O ATOM 0 H ASP A 92 -7.193 16.081 4.963 1.00 32.15 H new ATOM 0 HA ASP A 92 -7.241 17.874 2.682 1.00 64.22 H new ATOM 0 HB2 ASP A 92 -5.362 16.034 2.338 1.00 41.41 H new ATOM 0 HB3 ASP A 92 -6.723 14.961 2.084 1.00 41.41 H new ATOM 1413 N ASN A 93 -9.260 15.981 1.892 1.00 42.13 N ATOM 1414 CA ASN A 93 -10.554 15.310 1.794 1.00 45.01 C ATOM 1415 C ASN A 93 -10.387 13.787 1.834 1.00 41.15 C ATOM 1416 O ASN A 93 -11.366 13.061 2.013 1.00 13.24 O ATOM 1417 CB ASN A 93 -11.277 15.694 0.496 1.00 54.32 C ATOM 1418 CG ASN A 93 -11.799 17.116 0.493 1.00 11.54 C ATOM 1419 OD1 ASN A 93 -12.906 17.376 0.953 1.00 14.54 O ATOM 1420 ND2 ASN A 93 -11.024 18.042 -0.047 1.00 11.02 N ATOM 0 H ASN A 93 -8.825 16.168 0.989 1.00 42.13 H new ATOM 0 HA ASN A 93 -11.149 15.633 2.649 1.00 45.01 H new ATOM 0 HB2 ASN A 93 -10.594 15.565 -0.343 1.00 54.32 H new ATOM 0 HB3 ASN A 93 -12.110 15.009 0.337 1.00 54.32 H new ATOM 0 HD21 ASN A 93 -11.341 19.010 -0.091 1.00 11.02 H new ATOM 0 HD22 ASN A 93 -10.109 17.788 -0.419 1.00 11.02 H new ATOM 1427 N ASP A 94 -9.145 13.299 1.681 1.00 33.32 N ATOM 1428 CA ASP A 94 -8.894 11.864 1.630 1.00 4.34 C ATOM 1429 C ASP A 94 -7.771 11.495 2.576 1.00 3.54 C ATOM 1430 O ASP A 94 -7.975 10.765 3.546 1.00 70.25 O ATOM 1431 CB ASP A 94 -8.507 11.392 0.218 1.00 24.41 C ATOM 1432 CG ASP A 94 -8.783 9.915 0.027 1.00 15.41 C ATOM 1433 OD1 ASP A 94 -7.982 9.084 0.499 1.00 22.44 O ATOM 1434 OD2 ASP A 94 -9.814 9.579 -0.581 1.00 42.33 O ATOM 0 H ASP A 94 -8.310 13.878 1.592 1.00 33.32 H new ATOM 0 HA ASP A 94 -9.823 11.373 1.922 1.00 4.34 H new ATOM 0 HB2 ASP A 94 -9.064 11.965 -0.523 1.00 24.41 H new ATOM 0 HB3 ASP A 94 -7.449 11.590 0.045 1.00 24.41 H new ATOM 1439 N GLY A 95 -6.600 12.067 2.322 1.00 42.11 N ATOM 1440 CA GLY A 95 -5.401 11.570 2.936 1.00 42.04 C ATOM 1441 C GLY A 95 -4.146 12.158 2.341 1.00 74.50 C ATOM 1442 O GLY A 95 -3.287 11.430 1.858 1.00 71.13 O ATOM 0 H GLY A 95 -6.468 12.865 1.701 1.00 42.11 H new ATOM 0 HA2 GLY A 95 -5.428 11.790 4.003 1.00 42.04 H new ATOM 0 HA3 GLY A 95 -5.371 10.485 2.835 1.00 42.04 H new ATOM 1446 N HIS A 96 -4.045 13.480 2.356 1.00 22.23 N ATOM 1447 CA HIS A 96 -2.802 14.146 1.989 1.00 63.03 C ATOM 1448 C HIS A 96 -1.964 14.411 3.214 1.00 1.24 C ATOM 1449 O HIS A 96 -2.456 14.906 4.230 1.00 44.13 O ATOM 1450 CB HIS A 96 -3.037 15.464 1.256 1.00 1.01 C ATOM 1451 CG HIS A 96 -3.000 15.354 -0.238 1.00 22.12 C ATOM 1452 ND1 HIS A 96 -3.272 16.418 -1.068 1.00 64.14 N ATOM 1453 CD2 HIS A 96 -2.693 14.318 -1.051 1.00 22.04 C ATOM 1454 CE1 HIS A 96 -3.134 16.043 -2.321 1.00 31.43 C ATOM 1455 NE2 HIS A 96 -2.785 14.778 -2.338 1.00 44.03 N ATOM 0 H HIS A 96 -4.804 14.110 2.617 1.00 22.23 H new ATOM 0 HA HIS A 96 -2.279 13.471 1.312 1.00 63.03 H new ATOM 0 HB2 HIS A 96 -4.005 15.865 1.555 1.00 1.01 H new ATOM 0 HB3 HIS A 96 -2.282 16.183 1.574 1.00 1.01 H new ATOM 0 HD2 HIS A 96 -2.426 13.318 -0.744 1.00 22.04 H new ATOM 0 HE1 HIS A 96 -3.283 16.669 -3.188 1.00 31.43 H new ATOM 0 HE2 HIS A 96 -2.610 14.225 -3.177 1.00 44.03 H new ATOM 1464 N THR A 97 -0.704 14.083 3.103 1.00 41.11 N ATOM 1465 CA THR A 97 0.238 14.310 4.167 1.00 54.52 C ATOM 1466 C THR A 97 1.319 15.272 3.686 1.00 61.35 C ATOM 1467 O THR A 97 1.800 15.179 2.549 1.00 31.24 O ATOM 1468 CB THR A 97 0.841 12.978 4.692 1.00 45.01 C ATOM 1469 OG1 THR A 97 1.858 13.225 5.668 1.00 42.01 O ATOM 1470 CG2 THR A 97 1.406 12.134 3.562 1.00 51.31 C ATOM 0 H THR A 97 -0.301 13.650 2.272 1.00 41.11 H new ATOM 0 HA THR A 97 -0.283 14.762 5.011 1.00 54.52 H new ATOM 0 HB THR A 97 0.028 12.423 5.160 1.00 45.01 H new ATOM 0 HG1 THR A 97 2.431 12.434 5.750 1.00 42.01 H new ATOM 0 HG21 THR A 97 1.819 11.211 3.969 1.00 51.31 H new ATOM 0 HG22 THR A 97 0.612 11.896 2.854 1.00 51.31 H new ATOM 0 HG23 THR A 97 2.193 12.689 3.052 1.00 51.31 H new ATOM 1478 N ASP A 98 1.661 16.220 4.542 1.00 54.35 N ATOM 1479 CA ASP A 98 2.707 17.181 4.243 1.00 22.24 C ATOM 1480 C ASP A 98 4.014 16.733 4.914 1.00 74.23 C ATOM 1481 O ASP A 98 5.100 17.237 4.604 1.00 40.14 O ATOM 1482 CB ASP A 98 2.281 18.578 4.711 1.00 10.11 C ATOM 1483 CG ASP A 98 3.101 19.693 4.089 1.00 15.42 C ATOM 1484 OD1 ASP A 98 2.812 20.074 2.939 1.00 4.03 O ATOM 1485 OD2 ASP A 98 4.021 20.203 4.749 1.00 32.24 O ATOM 0 H ASP A 98 1.225 16.344 5.456 1.00 54.35 H new ATOM 0 HA ASP A 98 2.874 17.230 3.167 1.00 22.24 H new ATOM 0 HB2 ASP A 98 1.229 18.730 4.468 1.00 10.11 H new ATOM 0 HB3 ASP A 98 2.369 18.633 5.796 1.00 10.11 H new ATOM 1490 N ALA A 99 3.883 15.747 5.821 1.00 0.51 N ATOM 1491 CA ALA A 99 5.017 15.140 6.507 1.00 32.31 C ATOM 1492 C ALA A 99 5.821 14.299 5.528 1.00 45.13 C ATOM 1493 O ALA A 99 7.050 14.352 5.510 1.00 64.34 O ATOM 1494 CB ALA A 99 4.540 14.292 7.678 1.00 70.54 C ATOM 0 H ALA A 99 2.982 15.355 6.093 1.00 0.51 H new ATOM 0 HA ALA A 99 5.657 15.930 6.900 1.00 32.31 H new ATOM 0 HB1 ALA A 99 5.400 13.847 8.179 1.00 70.54 H new ATOM 0 HB2 ALA A 99 3.994 14.919 8.383 1.00 70.54 H new ATOM 0 HB3 ALA A 99 3.884 13.502 7.312 1.00 70.54 H new ATOM 1500 N ILE A 100 5.114 13.529 4.702 1.00 15.05 N ATOM 1501 CA ILE A 100 5.731 12.877 3.559 1.00 63.32 C ATOM 1502 C ILE A 100 5.714 13.848 2.379 1.00 53.45 C ATOM 1503 O ILE A 100 4.725 13.939 1.648 1.00 4.32 O ATOM 1504 CB ILE A 100 5.018 11.560 3.164 1.00 73.31 C ATOM 1505 CG1 ILE A 100 4.751 10.695 4.404 1.00 55.55 C ATOM 1506 CG2 ILE A 100 5.874 10.797 2.162 1.00 22.24 C ATOM 1507 CD1 ILE A 100 3.894 9.472 4.141 1.00 61.21 C ATOM 0 H ILE A 100 4.116 13.345 4.807 1.00 15.05 H new ATOM 0 HA ILE A 100 6.752 12.611 3.833 1.00 63.32 H new ATOM 0 HB ILE A 100 4.059 11.802 2.707 1.00 73.31 H new ATOM 0 HG12 ILE A 100 5.706 10.372 4.819 1.00 55.55 H new ATOM 0 HG13 ILE A 100 4.264 11.309 5.162 1.00 55.55 H new ATOM 0 HG21 ILE A 100 5.371 9.870 1.885 1.00 22.24 H new ATOM 0 HG22 ILE A 100 6.025 11.408 1.272 1.00 22.24 H new ATOM 0 HG23 ILE A 100 6.840 10.565 2.611 1.00 22.24 H new ATOM 0 HD11 ILE A 100 3.755 8.918 5.070 1.00 61.21 H new ATOM 0 HD12 ILE A 100 2.923 9.784 3.756 1.00 61.21 H new ATOM 0 HD13 ILE A 100 4.387 8.833 3.408 1.00 61.21 H new ATOM 1519 N SER A 101 6.795 14.613 2.257 1.00 33.24 N ATOM 1520 CA SER A 101 6.938 15.615 1.207 1.00 60.04 C ATOM 1521 C SER A 101 7.226 14.962 -0.146 1.00 74.32 C ATOM 1522 O SER A 101 8.309 14.419 -0.381 1.00 25.42 O ATOM 1523 CB SER A 101 8.046 16.600 1.583 1.00 54.41 C ATOM 1524 OG SER A 101 7.810 17.144 2.872 1.00 63.50 O ATOM 0 H SER A 101 7.597 14.555 2.884 1.00 33.24 H new ATOM 0 HA SER A 101 5.997 16.158 1.113 1.00 60.04 H new ATOM 0 HB2 SER A 101 9.011 16.094 1.566 1.00 54.41 H new ATOM 0 HB3 SER A 101 8.093 17.402 0.846 1.00 54.41 H new ATOM 0 HG SER A 101 6.870 17.010 3.116 1.00 63.50 H new ATOM 1530 N GLY A 102 6.217 14.993 -1.007 1.00 44.34 N ATOM 1531 CA GLY A 102 6.318 14.383 -2.320 1.00 62.50 C ATOM 1532 C GLY A 102 5.157 13.448 -2.592 1.00 64.01 C ATOM 1533 O GLY A 102 4.933 13.040 -3.734 1.00 25.11 O ATOM 0 H GLY A 102 5.318 15.436 -0.816 1.00 44.34 H new ATOM 0 HA2 GLY A 102 6.345 15.162 -3.082 1.00 62.50 H new ATOM 0 HA3 GLY A 102 7.255 13.831 -2.394 1.00 62.50 H new ATOM 1537 N ALA A 103 4.418 13.116 -1.532 1.00 32.44 N ATOM 1538 CA ALA A 103 3.271 12.233 -1.632 1.00 75.12 C ATOM 1539 C ALA A 103 1.990 13.023 -1.884 1.00 62.22 C ATOM 1540 O ALA A 103 1.317 13.486 -0.958 1.00 50.45 O ATOM 1541 CB ALA A 103 3.157 11.384 -0.381 1.00 24.21 C ATOM 0 H ALA A 103 4.602 13.454 -0.587 1.00 32.44 H new ATOM 0 HA ALA A 103 3.416 11.570 -2.485 1.00 75.12 H new ATOM 0 HB1 ALA A 103 2.293 10.725 -0.466 1.00 24.21 H new ATOM 0 HB2 ALA A 103 4.060 10.785 -0.264 1.00 24.21 H new ATOM 0 HB3 ALA A 103 3.036 12.031 0.488 1.00 24.21 H new ATOM 1547 N THR A 104 1.688 13.191 -3.160 1.00 12.31 N ATOM 1548 CA THR A 104 0.499 13.910 -3.604 1.00 31.43 C ATOM 1549 C THR A 104 -0.604 12.905 -4.019 1.00 41.31 C ATOM 1550 O THR A 104 -1.666 13.265 -4.531 1.00 33.11 O ATOM 1551 CB THR A 104 0.878 14.902 -4.746 1.00 2.24 C ATOM 1552 OG1 THR A 104 -0.254 15.660 -5.180 1.00 31.20 O ATOM 1553 CG2 THR A 104 1.501 14.183 -5.934 1.00 52.12 C ATOM 0 H THR A 104 2.261 12.832 -3.923 1.00 12.31 H new ATOM 0 HA THR A 104 0.092 14.504 -2.786 1.00 31.43 H new ATOM 0 HB THR A 104 1.618 15.586 -4.330 1.00 2.24 H new ATOM 0 HG1 THR A 104 -1.063 15.112 -5.104 1.00 31.20 H new ATOM 0 HG21 THR A 104 1.751 14.908 -6.708 1.00 52.12 H new ATOM 0 HG22 THR A 104 2.407 13.668 -5.613 1.00 52.12 H new ATOM 0 HG23 THR A 104 0.792 13.457 -6.332 1.00 52.12 H new ATOM 1561 N ILE A 105 -0.333 11.634 -3.763 1.00 75.40 N ATOM 1562 CA ILE A 105 -1.306 10.561 -3.915 1.00 75.42 C ATOM 1563 C ILE A 105 -2.103 10.400 -2.587 1.00 32.11 C ATOM 1564 O ILE A 105 -1.677 10.927 -1.552 1.00 53.04 O ATOM 1565 CB ILE A 105 -0.517 9.270 -4.346 1.00 52.24 C ATOM 1566 CG1 ILE A 105 -1.411 8.174 -4.997 1.00 71.51 C ATOM 1567 CG2 ILE A 105 0.338 8.718 -3.202 1.00 22.20 C ATOM 1568 CD1 ILE A 105 -2.051 7.146 -4.077 1.00 34.11 C ATOM 0 H ILE A 105 0.580 11.314 -3.440 1.00 75.40 H new ATOM 0 HA ILE A 105 -2.048 10.772 -4.685 1.00 75.42 H new ATOM 0 HB ILE A 105 0.161 9.590 -5.137 1.00 52.24 H new ATOM 0 HG12 ILE A 105 -2.208 8.674 -5.547 1.00 71.51 H new ATOM 0 HG13 ILE A 105 -0.806 7.639 -5.729 1.00 71.51 H new ATOM 0 HG21 ILE A 105 0.867 7.827 -3.540 1.00 22.20 H new ATOM 0 HG22 ILE A 105 1.061 9.473 -2.891 1.00 22.20 H new ATOM 0 HG23 ILE A 105 -0.304 8.461 -2.359 1.00 22.20 H new ATOM 0 HD11 ILE A 105 -2.644 6.448 -4.668 1.00 34.11 H new ATOM 0 HD12 ILE A 105 -1.273 6.600 -3.544 1.00 34.11 H new ATOM 0 HD13 ILE A 105 -2.696 7.652 -3.359 1.00 34.11 H new ATOM 1580 N LYS A 106 -3.304 9.790 -2.655 1.00 64.31 N ATOM 1581 CA LYS A 106 -4.047 9.310 -1.474 1.00 15.11 C ATOM 1582 C LYS A 106 -3.191 8.369 -0.608 1.00 71.05 C ATOM 1583 O LYS A 106 -3.125 7.164 -0.856 1.00 24.10 O ATOM 1584 CB LYS A 106 -5.327 8.543 -1.881 1.00 72.31 C ATOM 1585 CG LYS A 106 -6.446 9.375 -2.505 1.00 53.41 C ATOM 1586 CD LYS A 106 -6.241 9.653 -3.982 1.00 12.12 C ATOM 1587 CE LYS A 106 -7.443 10.349 -4.599 1.00 23.13 C ATOM 1588 NZ LYS A 106 -7.809 11.595 -3.876 1.00 14.10 N ATOM 0 H LYS A 106 -3.787 9.616 -3.536 1.00 64.31 H new ATOM 0 HA LYS A 106 -4.311 10.201 -0.904 1.00 15.11 H new ATOM 0 HB2 LYS A 106 -5.047 7.761 -2.587 1.00 72.31 H new ATOM 0 HB3 LYS A 106 -5.724 8.046 -0.996 1.00 72.31 H new ATOM 0 HG2 LYS A 106 -7.394 8.854 -2.369 1.00 53.41 H new ATOM 0 HG3 LYS A 106 -6.524 10.323 -1.972 1.00 53.41 H new ATOM 0 HD2 LYS A 106 -5.354 10.273 -4.115 1.00 12.12 H new ATOM 0 HD3 LYS A 106 -6.056 8.715 -4.506 1.00 12.12 H new ATOM 0 HE2 LYS A 106 -7.227 10.587 -5.641 1.00 23.13 H new ATOM 0 HE3 LYS A 106 -8.294 9.668 -4.598 1.00 23.13 H new ATOM 0 HZ1 LYS A 106 -8.531 12.111 -4.418 1.00 14.10 H new ATOM 0 HZ2 LYS A 106 -8.187 11.354 -2.938 1.00 14.10 H new ATOM 0 HZ3 LYS A 106 -6.965 12.193 -3.766 1.00 14.10 H new ATOM 1602 N VAL A 107 -2.560 8.936 0.419 1.00 40.03 N ATOM 1603 CA VAL A 107 -1.691 8.195 1.341 1.00 1.23 C ATOM 1604 C VAL A 107 -2.534 7.436 2.375 1.00 0.11 C ATOM 1605 O VAL A 107 -2.060 6.484 3.016 1.00 3.21 O ATOM 1606 CB VAL A 107 -0.678 9.178 2.007 1.00 11.23 C ATOM 1607 CG1 VAL A 107 0.128 8.571 3.138 1.00 15.42 C ATOM 1608 CG2 VAL A 107 0.277 9.679 0.960 1.00 11.43 C ATOM 0 H VAL A 107 -2.636 9.929 0.639 1.00 40.03 H new ATOM 0 HA VAL A 107 -1.117 7.449 0.791 1.00 1.23 H new ATOM 0 HB VAL A 107 -1.274 9.980 2.441 1.00 11.23 H new ATOM 0 HG11 VAL A 107 0.807 9.321 3.545 1.00 15.42 H new ATOM 0 HG12 VAL A 107 -0.547 8.229 3.923 1.00 15.42 H new ATOM 0 HG13 VAL A 107 0.705 7.726 2.761 1.00 15.42 H new ATOM 0 HG21 VAL A 107 0.989 10.367 1.416 1.00 11.43 H new ATOM 0 HG22 VAL A 107 0.814 8.836 0.525 1.00 11.43 H new ATOM 0 HG23 VAL A 107 -0.279 10.197 0.179 1.00 11.43 H new ATOM 1618 N LYS A 108 -3.813 7.835 2.469 1.00 73.22 N ATOM 1619 CA LYS A 108 -4.802 7.177 3.315 1.00 12.24 C ATOM 1620 C LYS A 108 -4.892 5.682 2.989 1.00 31.54 C ATOM 1621 O LYS A 108 -4.934 4.884 3.902 1.00 13.42 O ATOM 1622 CB LYS A 108 -6.174 7.874 3.163 1.00 62.32 C ATOM 1623 CG LYS A 108 -7.284 7.361 4.087 1.00 64.05 C ATOM 1624 CD LYS A 108 -8.123 6.269 3.426 1.00 22.13 C ATOM 1625 CE LYS A 108 -9.181 5.704 4.361 1.00 60.45 C ATOM 1626 NZ LYS A 108 -10.212 6.710 4.720 1.00 24.21 N ATOM 0 H LYS A 108 -4.185 8.632 1.952 1.00 73.22 H new ATOM 0 HA LYS A 108 -4.489 7.263 4.356 1.00 12.24 H new ATOM 0 HB2 LYS A 108 -6.041 8.941 3.342 1.00 62.32 H new ATOM 0 HB3 LYS A 108 -6.505 7.763 2.131 1.00 62.32 H new ATOM 0 HG2 LYS A 108 -6.841 6.972 5.004 1.00 64.05 H new ATOM 0 HG3 LYS A 108 -7.930 8.191 4.372 1.00 64.05 H new ATOM 0 HD2 LYS A 108 -8.607 6.674 2.537 1.00 22.13 H new ATOM 0 HD3 LYS A 108 -7.469 5.463 3.093 1.00 22.13 H new ATOM 0 HE2 LYS A 108 -9.661 4.848 3.887 1.00 60.45 H new ATOM 0 HE3 LYS A 108 -8.702 5.338 5.269 1.00 60.45 H new ATOM 0 HZ1 LYS A 108 -10.956 6.257 5.289 1.00 24.21 H new ATOM 0 HZ2 LYS A 108 -9.773 7.476 5.270 1.00 24.21 H new ATOM 0 HZ3 LYS A 108 -10.630 7.103 3.853 1.00 24.21 H new ATOM 1640 N LYS A 109 -4.848 5.326 1.692 1.00 4.44 N ATOM 1641 CA LYS A 109 -4.934 3.926 1.247 1.00 1.45 C ATOM 1642 C LYS A 109 -3.728 3.092 1.725 1.00 14.51 C ATOM 1643 O LYS A 109 -3.881 1.923 2.060 1.00 14.30 O ATOM 1644 CB LYS A 109 -5.029 3.864 -0.289 1.00 14.03 C ATOM 1645 CG LYS A 109 -5.428 2.492 -0.844 1.00 75.35 C ATOM 1646 CD LYS A 109 -6.901 2.176 -0.600 1.00 2.32 C ATOM 1647 CE LYS A 109 -7.824 3.077 -1.414 1.00 25.21 C ATOM 1648 NZ LYS A 109 -9.252 2.831 -1.100 1.00 62.35 N ATOM 0 H LYS A 109 -4.753 5.996 0.929 1.00 4.44 H new ATOM 0 HA LYS A 109 -5.833 3.499 1.691 1.00 1.45 H new ATOM 0 HB2 LYS A 109 -5.755 4.604 -0.626 1.00 14.03 H new ATOM 0 HB3 LYS A 109 -4.065 4.147 -0.712 1.00 14.03 H new ATOM 0 HG2 LYS A 109 -5.225 2.462 -1.914 1.00 75.35 H new ATOM 0 HG3 LYS A 109 -4.812 1.722 -0.381 1.00 75.35 H new ATOM 0 HD2 LYS A 109 -7.095 1.134 -0.855 1.00 2.32 H new ATOM 0 HD3 LYS A 109 -7.125 2.292 0.460 1.00 2.32 H new ATOM 0 HE2 LYS A 109 -7.582 4.121 -1.213 1.00 25.21 H new ATOM 0 HE3 LYS A 109 -7.651 2.909 -2.477 1.00 25.21 H new ATOM 0 HZ1 LYS A 109 -9.720 2.403 -1.924 1.00 62.35 H new ATOM 0 HZ2 LYS A 109 -9.323 2.186 -0.288 1.00 62.35 H new ATOM 0 HZ3 LYS A 109 -9.717 3.732 -0.868 1.00 62.35 H new ATOM 1662 N PHE A 110 -2.544 3.711 1.775 1.00 12.21 N ATOM 1663 CA PHE A 110 -1.317 3.023 2.190 1.00 72.33 C ATOM 1664 C PHE A 110 -1.373 2.638 3.660 1.00 25.40 C ATOM 1665 O PHE A 110 -1.214 1.472 3.994 1.00 73.30 O ATOM 1666 CB PHE A 110 -0.073 3.892 1.920 1.00 41.04 C ATOM 1667 CG PHE A 110 1.217 3.298 2.419 1.00 54.23 C ATOM 1668 CD1 PHE A 110 1.848 2.269 1.739 1.00 43.33 C ATOM 1669 CD2 PHE A 110 1.780 3.758 3.592 1.00 75.15 C ATOM 1670 CE1 PHE A 110 3.013 1.713 2.233 1.00 41.24 C ATOM 1671 CE2 PHE A 110 2.938 3.215 4.084 1.00 14.40 C ATOM 1672 CZ PHE A 110 3.554 2.189 3.410 1.00 74.32 C ATOM 0 H PHE A 110 -2.409 4.692 1.532 1.00 12.21 H new ATOM 0 HA PHE A 110 -1.240 2.112 1.596 1.00 72.33 H new ATOM 0 HB2 PHE A 110 0.010 4.063 0.847 1.00 41.04 H new ATOM 0 HB3 PHE A 110 -0.216 4.866 2.388 1.00 41.04 H new ATOM 0 HD1 PHE A 110 1.427 1.899 0.816 1.00 43.33 H new ATOM 0 HD2 PHE A 110 1.299 4.560 4.132 1.00 75.15 H new ATOM 0 HE1 PHE A 110 3.498 0.909 1.700 1.00 41.24 H new ATOM 0 HE2 PHE A 110 3.366 3.593 5.001 1.00 14.40 H new ATOM 0 HZ PHE A 110 4.462 1.755 3.801 1.00 74.32 H new ATOM 1682 N PHE A 111 -1.598 3.627 4.519 1.00 54.11 N ATOM 1683 CA PHE A 111 -1.581 3.405 5.962 1.00 64.31 C ATOM 1684 C PHE A 111 -2.822 2.648 6.445 1.00 61.35 C ATOM 1685 O PHE A 111 -2.757 1.972 7.462 1.00 65.30 O ATOM 1686 CB PHE A 111 -1.404 4.722 6.722 1.00 12.23 C ATOM 1687 CG PHE A 111 0.013 5.250 6.721 1.00 32.02 C ATOM 1688 CD1 PHE A 111 0.921 4.833 7.681 1.00 34.22 C ATOM 1689 CD2 PHE A 111 0.433 6.169 5.774 1.00 20.44 C ATOM 1690 CE1 PHE A 111 2.213 5.320 7.697 1.00 0.43 C ATOM 1691 CE2 PHE A 111 1.727 6.656 5.785 1.00 70.31 C ATOM 1692 CZ PHE A 111 2.616 6.231 6.745 1.00 60.23 C ATOM 0 H PHE A 111 -1.794 4.589 4.242 1.00 54.11 H new ATOM 0 HA PHE A 111 -0.720 2.773 6.177 1.00 64.31 H new ATOM 0 HB2 PHE A 111 -2.061 5.473 6.283 1.00 12.23 H new ATOM 0 HB3 PHE A 111 -1.727 4.580 7.753 1.00 12.23 H new ATOM 0 HD1 PHE A 111 0.614 4.116 8.428 1.00 34.22 H new ATOM 0 HD2 PHE A 111 -0.259 6.509 5.018 1.00 20.44 H new ATOM 0 HE1 PHE A 111 2.907 4.987 8.455 1.00 0.43 H new ATOM 0 HE2 PHE A 111 2.040 7.371 5.039 1.00 70.31 H new ATOM 0 HZ PHE A 111 3.627 6.610 6.752 1.00 60.23 H new ATOM 1702 N ASP A 112 -3.937 2.760 5.703 1.00 73.31 N ATOM 1703 CA ASP A 112 -5.175 1.995 5.976 1.00 34.43 C ATOM 1704 C ASP A 112 -4.918 0.506 5.855 1.00 23.44 C ATOM 1705 O ASP A 112 -5.248 -0.282 6.739 1.00 62.01 O ATOM 1706 CB ASP A 112 -6.251 2.336 4.945 1.00 2.34 C ATOM 1707 CG ASP A 112 -7.654 2.027 5.430 1.00 73.44 C ATOM 1708 OD1 ASP A 112 -8.127 0.895 5.222 1.00 24.15 O ATOM 1709 OD2 ASP A 112 -8.299 2.923 6.012 1.00 33.30 O ATOM 0 H ASP A 112 -4.010 3.381 4.897 1.00 73.31 H new ATOM 0 HA ASP A 112 -5.499 2.255 6.984 1.00 34.43 H new ATOM 0 HB2 ASP A 112 -6.184 3.395 4.694 1.00 2.34 H new ATOM 0 HB3 ASP A 112 -6.058 1.779 4.028 1.00 2.34 H new ATOM 1714 N LEU A 113 -4.318 0.153 4.733 1.00 3.04 N ATOM 1715 CA LEU A 113 -4.054 -1.223 4.380 1.00 24.05 C ATOM 1716 C LEU A 113 -2.807 -1.763 5.088 1.00 73.43 C ATOM 1717 O LEU A 113 -2.619 -2.969 5.182 1.00 71.34 O ATOM 1718 CB LEU A 113 -3.939 -1.351 2.855 1.00 14.14 C ATOM 1719 CG LEU A 113 -5.251 -1.581 2.077 1.00 73.24 C ATOM 1720 CD1 LEU A 113 -5.970 -2.791 2.621 1.00 34.35 C ATOM 1721 CD2 LEU A 113 -6.177 -0.374 2.114 1.00 24.41 C ATOM 0 H LEU A 113 -3.998 0.825 4.035 1.00 3.04 H new ATOM 0 HA LEU A 113 -4.890 -1.834 4.720 1.00 24.05 H new ATOM 0 HB2 LEU A 113 -3.471 -0.444 2.472 1.00 14.14 H new ATOM 0 HB3 LEU A 113 -3.263 -2.177 2.633 1.00 14.14 H new ATOM 0 HG LEU A 113 -4.976 -1.746 1.035 1.00 73.24 H new ATOM 0 HD11 LEU A 113 -6.895 -2.945 2.065 1.00 34.35 H new ATOM 0 HD12 LEU A 113 -5.334 -3.670 2.517 1.00 34.35 H new ATOM 0 HD13 LEU A 113 -6.202 -2.634 3.674 1.00 34.35 H new ATOM 0 HD21 LEU A 113 -7.084 -0.594 1.550 1.00 24.41 H new ATOM 0 HD22 LEU A 113 -6.438 -0.147 3.148 1.00 24.41 H new ATOM 0 HD23 LEU A 113 -5.673 0.485 1.671 1.00 24.41 H new ATOM 1733 N ALA A 114 -1.957 -0.861 5.580 1.00 24.22 N ATOM 1734 CA ALA A 114 -0.861 -1.229 6.469 1.00 4.53 C ATOM 1735 C ALA A 114 -1.396 -1.606 7.852 1.00 52.15 C ATOM 1736 O ALA A 114 -0.872 -2.504 8.502 1.00 41.01 O ATOM 1737 CB ALA A 114 0.139 -0.089 6.571 1.00 0.35 C ATOM 0 H ALA A 114 -2.010 0.137 5.374 1.00 24.22 H new ATOM 0 HA ALA A 114 -0.351 -2.098 6.053 1.00 4.53 H new ATOM 0 HB1 ALA A 114 0.952 -0.377 7.238 1.00 0.35 H new ATOM 0 HB2 ALA A 114 0.541 0.132 5.582 1.00 0.35 H new ATOM 0 HB3 ALA A 114 -0.358 0.797 6.966 1.00 0.35 H new ATOM 1743 N GLN A 115 -2.458 -0.904 8.282 1.00 10.35 N ATOM 1744 CA GLN A 115 -3.168 -1.213 9.528 1.00 70.05 C ATOM 1745 C GLN A 115 -3.881 -2.555 9.438 1.00 43.10 C ATOM 1746 O GLN A 115 -3.929 -3.295 10.406 1.00 54.10 O ATOM 1747 CB GLN A 115 -4.198 -0.130 9.847 1.00 25.33 C ATOM 1748 CG GLN A 115 -3.616 1.110 10.479 1.00 11.42 C ATOM 1749 CD GLN A 115 -4.616 2.244 10.559 1.00 12.41 C ATOM 1750 OE1 GLN A 115 -5.379 2.351 11.515 1.00 30.31 O ATOM 1751 NE2 GLN A 115 -4.590 3.118 9.569 1.00 43.21 N ATOM 0 H GLN A 115 -2.845 -0.109 7.775 1.00 10.35 H new ATOM 0 HA GLN A 115 -2.422 -1.256 10.321 1.00 70.05 H new ATOM 0 HB2 GLN A 115 -4.710 0.151 8.927 1.00 25.33 H new ATOM 0 HB3 GLN A 115 -4.951 -0.546 10.516 1.00 25.33 H new ATOM 0 HG2 GLN A 115 -3.262 0.871 11.482 1.00 11.42 H new ATOM 0 HG3 GLN A 115 -2.749 1.434 9.904 1.00 11.42 H new ATOM 0 HE21 GLN A 115 -3.940 2.991 8.793 1.00 43.21 H new ATOM 0 HE22 GLN A 115 -5.220 3.920 9.580 1.00 43.21 H new ATOM 1760 N LYS A 116 -4.421 -2.849 8.255 1.00 5.12 N ATOM 1761 CA LYS A 116 -5.112 -4.106 7.973 1.00 72.54 C ATOM 1762 C LYS A 116 -4.131 -5.280 7.812 1.00 24.11 C ATOM 1763 O LYS A 116 -4.515 -6.443 7.938 1.00 75.43 O ATOM 1764 CB LYS A 116 -6.009 -3.948 6.743 1.00 62.22 C ATOM 1765 CG LYS A 116 -7.237 -3.081 6.998 1.00 44.25 C ATOM 1766 CD LYS A 116 -8.015 -2.773 5.719 1.00 75.14 C ATOM 1767 CE LYS A 116 -8.612 -4.026 5.089 1.00 30.33 C ATOM 1768 NZ LYS A 116 -9.373 -3.730 3.849 1.00 70.43 N ATOM 0 H LYS A 116 -4.390 -2.214 7.458 1.00 5.12 H new ATOM 0 HA LYS A 116 -5.741 -4.346 8.831 1.00 72.54 H new ATOM 0 HB2 LYS A 116 -5.427 -3.511 5.931 1.00 62.22 H new ATOM 0 HB3 LYS A 116 -6.332 -4.934 6.409 1.00 62.22 H new ATOM 0 HG2 LYS A 116 -7.894 -3.587 7.705 1.00 44.25 H new ATOM 0 HG3 LYS A 116 -6.927 -2.146 7.464 1.00 44.25 H new ATOM 0 HD2 LYS A 116 -8.814 -2.066 5.944 1.00 75.14 H new ATOM 0 HD3 LYS A 116 -7.353 -2.288 5.001 1.00 75.14 H new ATOM 0 HE2 LYS A 116 -7.812 -4.731 4.861 1.00 30.33 H new ATOM 0 HE3 LYS A 116 -9.271 -4.512 5.809 1.00 30.33 H new ATOM 0 HZ1 LYS A 116 -9.759 -4.614 3.459 1.00 70.43 H new ATOM 0 HZ2 LYS A 116 -10.153 -3.078 4.068 1.00 70.43 H new ATOM 0 HZ3 LYS A 116 -8.741 -3.290 3.150 1.00 70.43 H new ATOM 1782 N ALA A 117 -2.883 -4.978 7.462 1.00 34.31 N ATOM 1783 CA ALA A 117 -1.833 -5.984 7.390 1.00 63.42 C ATOM 1784 C ALA A 117 -1.376 -6.417 8.784 1.00 24.34 C ATOM 1785 O ALA A 117 -1.141 -7.590 9.042 1.00 4.43 O ATOM 1786 CB ALA A 117 -0.666 -5.440 6.589 1.00 63.44 C ATOM 0 H ALA A 117 -2.575 -4.036 7.222 1.00 34.31 H new ATOM 0 HA ALA A 117 -2.233 -6.867 6.892 1.00 63.42 H new ATOM 0 HB1 ALA A 117 0.120 -6.193 6.535 1.00 63.44 H new ATOM 0 HB2 ALA A 117 -1.000 -5.191 5.582 1.00 63.44 H new ATOM 0 HB3 ALA A 117 -0.278 -4.544 7.074 1.00 63.44 H new ATOM 1792 N LEU A 118 -1.287 -5.463 9.689 1.00 51.34 N ATOM 1793 CA LEU A 118 -0.736 -5.717 11.014 1.00 21.43 C ATOM 1794 C LEU A 118 -1.829 -5.644 12.077 1.00 30.14 C ATOM 1795 O LEU A 118 -1.566 -5.378 13.246 1.00 72.45 O ATOM 1796 CB LEU A 118 0.360 -4.697 11.267 1.00 35.31 C ATOM 1797 CG LEU A 118 1.335 -4.553 10.106 1.00 50.40 C ATOM 1798 CD1 LEU A 118 1.953 -3.195 10.143 1.00 64.11 C ATOM 1799 CD2 LEU A 118 2.395 -5.635 10.134 1.00 3.40 C ATOM 0 H LEU A 118 -1.589 -4.501 9.535 1.00 51.34 H new ATOM 0 HA LEU A 118 -0.317 -6.722 11.066 1.00 21.43 H new ATOM 0 HB2 LEU A 118 -0.096 -3.728 11.470 1.00 35.31 H new ATOM 0 HB3 LEU A 118 0.913 -4.983 12.162 1.00 35.31 H new ATOM 0 HG LEU A 118 0.786 -4.670 9.172 1.00 50.40 H new ATOM 0 HD11 LEU A 118 2.651 -3.090 9.313 1.00 64.11 H new ATOM 0 HD12 LEU A 118 1.173 -2.438 10.059 1.00 64.11 H new ATOM 0 HD13 LEU A 118 2.487 -3.064 11.084 1.00 64.11 H new ATOM 0 HD21 LEU A 118 3.073 -5.502 9.291 1.00 3.40 H new ATOM 0 HD22 LEU A 118 2.957 -5.570 11.066 1.00 3.40 H new ATOM 0 HD23 LEU A 118 1.919 -6.613 10.065 1.00 3.40 H new ATOM 1811 N LYS A 119 -3.054 -5.904 11.640 1.00 3.55 N ATOM 1812 CA LYS A 119 -4.230 -5.895 12.515 1.00 43.14 C ATOM 1813 C LYS A 119 -4.267 -7.126 13.431 1.00 73.24 C ATOM 1814 O LYS A 119 -4.674 -7.030 14.590 1.00 30.41 O ATOM 1815 CB LYS A 119 -5.521 -5.797 11.669 1.00 70.13 C ATOM 1816 CG LYS A 119 -5.780 -6.990 10.746 1.00 1.04 C ATOM 1817 CD LYS A 119 -7.115 -6.896 10.021 1.00 52.33 C ATOM 1818 CE LYS A 119 -8.288 -6.964 10.987 1.00 0.52 C ATOM 1819 NZ LYS A 119 -9.569 -7.251 10.297 1.00 73.24 N ATOM 0 H LYS A 119 -3.266 -6.128 10.668 1.00 3.55 H new ATOM 0 HA LYS A 119 -4.163 -5.018 13.159 1.00 43.14 H new ATOM 0 HB2 LYS A 119 -6.371 -5.686 12.342 1.00 70.13 H new ATOM 0 HB3 LYS A 119 -5.473 -4.892 11.064 1.00 70.13 H new ATOM 0 HG2 LYS A 119 -4.977 -7.057 10.012 1.00 1.04 H new ATOM 0 HG3 LYS A 119 -5.754 -7.909 11.332 1.00 1.04 H new ATOM 0 HD2 LYS A 119 -7.159 -5.962 9.460 1.00 52.33 H new ATOM 0 HD3 LYS A 119 -7.193 -7.707 9.297 1.00 52.33 H new ATOM 0 HE2 LYS A 119 -8.098 -7.737 11.732 1.00 0.52 H new ATOM 0 HE3 LYS A 119 -8.370 -6.018 11.523 1.00 0.52 H new ATOM 0 HZ1 LYS A 119 -10.339 -7.288 10.995 1.00 73.24 H new ATOM 0 HZ2 LYS A 119 -9.766 -6.501 9.604 1.00 73.24 H new ATOM 0 HZ3 LYS A 119 -9.502 -8.166 9.807 1.00 73.24 H new ATOM 1833 N ASP A 120 -3.827 -8.268 12.906 1.00 60.00 N ATOM 1834 CA ASP A 120 -3.854 -9.521 13.651 1.00 13.33 C ATOM 1835 C ASP A 120 -2.500 -10.226 13.634 1.00 63.01 C ATOM 1836 O ASP A 120 -2.298 -11.167 14.412 1.00 44.22 O ATOM 1837 CB ASP A 120 -4.971 -10.454 13.128 1.00 64.11 C ATOM 1838 CG ASP A 120 -5.005 -10.632 11.618 1.00 72.21 C ATOM 1839 OD1 ASP A 120 -3.996 -11.050 11.037 1.00 75.33 O ATOM 1840 OD2 ASP A 120 -6.062 -10.362 11.010 1.00 52.14 O ATOM 0 H ASP A 120 -3.446 -8.349 11.963 1.00 60.00 H new ATOM 0 HA ASP A 120 -4.075 -9.273 14.689 1.00 13.33 H new ATOM 0 HB2 ASP A 120 -4.852 -11.433 13.592 1.00 64.11 H new ATOM 0 HB3 ASP A 120 -5.934 -10.061 13.454 1.00 64.11 H new ATOM 1845 N ALA A 121 -1.582 -9.750 12.753 1.00 71.45 N ATOM 1846 CA ALA A 121 -0.227 -10.308 12.571 1.00 42.01 C ATOM 1847 C ALA A 121 -0.257 -11.779 12.151 1.00 0.44 C ATOM 1848 O ALA A 121 0.636 -12.559 12.488 1.00 44.43 O ATOM 1849 CB ALA A 121 0.614 -10.110 13.827 1.00 3.33 C ATOM 0 H ALA A 121 -1.771 -8.955 12.142 1.00 71.45 H new ATOM 0 HA ALA A 121 0.241 -9.758 11.755 1.00 42.01 H new ATOM 0 HB1 ALA A 121 1.608 -10.529 13.669 1.00 3.33 H new ATOM 0 HB2 ALA A 121 0.699 -9.045 14.044 1.00 3.33 H new ATOM 0 HB3 ALA A 121 0.137 -10.614 14.667 1.00 3.33 H new ATOM 1855 N GLU A 122 -1.296 -12.145 11.405 1.00 33.41 N ATOM 1856 CA GLU A 122 -1.467 -13.493 10.885 1.00 44.23 C ATOM 1857 C GLU A 122 -1.987 -13.439 9.442 1.00 62.04 C ATOM 1858 O GLU A 122 -3.116 -13.852 9.157 1.00 54.35 O ATOM 1859 CB GLU A 122 -2.428 -14.309 11.775 1.00 42.52 C ATOM 1860 CG GLU A 122 -1.913 -14.580 13.188 1.00 63.20 C ATOM 1861 CD GLU A 122 -2.843 -15.446 14.003 1.00 54.01 C ATOM 1862 OE1 GLU A 122 -3.886 -14.943 14.456 1.00 61.01 O ATOM 1863 OE2 GLU A 122 -2.518 -16.635 14.203 1.00 3.42 O ATOM 0 H GLU A 122 -2.048 -11.507 11.144 1.00 33.41 H new ATOM 0 HA GLU A 122 -0.497 -13.990 10.892 1.00 44.23 H new ATOM 0 HB2 GLU A 122 -3.377 -13.777 11.844 1.00 42.52 H new ATOM 0 HB3 GLU A 122 -2.632 -15.263 11.288 1.00 42.52 H new ATOM 0 HG2 GLU A 122 -0.938 -15.063 13.126 1.00 63.20 H new ATOM 0 HG3 GLU A 122 -1.766 -13.631 13.703 1.00 63.20 H new ATOM 1870 N LYS A 123 -1.179 -12.889 8.532 1.00 31.34 N ATOM 1871 CA LYS A 123 -1.577 -12.812 7.121 1.00 30.44 C ATOM 1872 C LYS A 123 -0.736 -13.798 6.304 1.00 5.13 C ATOM 1873 O LYS A 123 0.111 -14.506 6.860 1.00 62.54 O ATOM 1874 CB LYS A 123 -1.429 -11.389 6.520 1.00 1.32 C ATOM 1875 CG LYS A 123 -1.841 -10.198 7.405 1.00 24.15 C ATOM 1876 CD LYS A 123 -3.208 -10.320 8.078 1.00 12.04 C ATOM 1877 CE LYS A 123 -4.370 -10.430 7.114 1.00 40.41 C ATOM 1878 NZ LYS A 123 -5.618 -10.774 7.842 1.00 13.24 N ATOM 0 H LYS A 123 -0.261 -12.496 8.740 1.00 31.34 H new ATOM 0 HA LYS A 123 -2.636 -13.068 7.074 1.00 30.44 H new ATOM 0 HB2 LYS A 123 -0.386 -11.251 6.234 1.00 1.32 H new ATOM 0 HB3 LYS A 123 -2.019 -11.348 5.604 1.00 1.32 H new ATOM 0 HG2 LYS A 123 -1.085 -10.064 8.179 1.00 24.15 H new ATOM 0 HG3 LYS A 123 -1.835 -9.295 6.794 1.00 24.15 H new ATOM 0 HD2 LYS A 123 -3.204 -11.197 8.725 1.00 12.04 H new ATOM 0 HD3 LYS A 123 -3.363 -9.452 8.718 1.00 12.04 H new ATOM 0 HE2 LYS A 123 -4.500 -9.487 6.583 1.00 40.41 H new ATOM 0 HE3 LYS A 123 -4.157 -11.192 6.364 1.00 40.41 H new ATOM 0 HZ1 LYS A 123 -6.416 -10.247 7.432 1.00 13.24 H new ATOM 0 HZ2 LYS A 123 -5.798 -11.795 7.759 1.00 13.24 H new ATOM 0 HZ3 LYS A 123 -5.516 -10.521 8.845 1.00 13.24 H new ATOM 1892 N LEU A 124 -0.965 -13.839 4.995 1.00 34.43 N ATOM 1893 CA LEU A 124 -0.237 -14.751 4.115 1.00 50.04 C ATOM 1894 C LEU A 124 0.846 -14.008 3.339 1.00 64.42 C ATOM 1895 O LEU A 124 0.868 -12.778 3.318 1.00 51.53 O ATOM 1896 CB LEU A 124 -1.181 -15.476 3.125 1.00 75.43 C ATOM 1897 CG LEU A 124 -2.090 -16.593 3.691 1.00 43.51 C ATOM 1898 CD1 LEU A 124 -1.313 -17.528 4.612 1.00 44.21 C ATOM 1899 CD2 LEU A 124 -3.320 -16.030 4.395 1.00 41.35 C ATOM 0 H LEU A 124 -1.649 -13.251 4.519 1.00 34.43 H new ATOM 0 HA LEU A 124 0.228 -15.502 4.753 1.00 50.04 H new ATOM 0 HB2 LEU A 124 -1.820 -14.726 2.660 1.00 75.43 H new ATOM 0 HB3 LEU A 124 -0.570 -15.909 2.333 1.00 75.43 H new ATOM 0 HG LEU A 124 -2.443 -17.175 2.840 1.00 43.51 H new ATOM 0 HD11 LEU A 124 -1.980 -18.301 4.993 1.00 44.21 H new ATOM 0 HD12 LEU A 124 -0.499 -17.993 4.056 1.00 44.21 H new ATOM 0 HD13 LEU A 124 -0.904 -16.959 5.447 1.00 44.21 H new ATOM 0 HD21 LEU A 124 -3.928 -16.850 4.776 1.00 41.35 H new ATOM 0 HD22 LEU A 124 -3.006 -15.395 5.224 1.00 41.35 H new ATOM 0 HD23 LEU A 124 -3.906 -15.441 3.689 1.00 41.35 H new ATOM 1911 N GLU A 125 1.734 -14.773 2.703 1.00 62.05 N ATOM 1912 CA GLU A 125 2.842 -14.221 1.936 1.00 4.42 C ATOM 1913 C GLU A 125 3.052 -15.009 0.636 1.00 55.54 C ATOM 1914 O GLU A 125 3.036 -16.242 0.638 1.00 53.03 O ATOM 1915 CB GLU A 125 4.128 -14.216 2.803 1.00 1.40 C ATOM 1916 CG GLU A 125 5.447 -14.089 2.026 1.00 53.34 C ATOM 1917 CD GLU A 125 5.708 -12.723 1.407 1.00 72.04 C ATOM 1918 OE1 GLU A 125 4.756 -12.050 0.957 1.00 34.40 O ATOM 1919 OE2 GLU A 125 6.882 -12.317 1.379 1.00 62.25 O ATOM 0 H GLU A 125 1.702 -15.792 2.707 1.00 62.05 H new ATOM 0 HA GLU A 125 2.605 -13.193 1.660 1.00 4.42 H new ATOM 0 HB2 GLU A 125 4.064 -13.392 3.513 1.00 1.40 H new ATOM 0 HB3 GLU A 125 4.157 -15.137 3.385 1.00 1.40 H new ATOM 0 HG2 GLU A 125 6.270 -14.328 2.699 1.00 53.34 H new ATOM 0 HG3 GLU A 125 5.456 -14.837 1.233 1.00 53.34 H new ATOM 1926 N HIS A 126 3.210 -14.265 -0.469 1.00 22.05 N ATOM 1927 CA HIS A 126 3.630 -14.821 -1.757 1.00 44.53 C ATOM 1928 C HIS A 126 4.568 -13.832 -2.462 1.00 35.34 C ATOM 1929 O HIS A 126 4.156 -13.120 -3.377 1.00 64.14 O ATOM 1930 CB HIS A 126 2.431 -15.160 -2.672 1.00 13.41 C ATOM 1931 CG HIS A 126 1.674 -16.386 -2.268 1.00 53.10 C ATOM 1932 ND1 HIS A 126 0.450 -16.341 -1.641 1.00 44.25 N ATOM 1933 CD2 HIS A 126 1.989 -17.692 -2.384 1.00 60.02 C ATOM 1934 CE1 HIS A 126 0.045 -17.568 -1.384 1.00 3.32 C ATOM 1935 NE2 HIS A 126 0.959 -18.407 -1.825 1.00 60.34 N ATOM 0 H HIS A 126 3.049 -13.258 -0.491 1.00 22.05 H new ATOM 0 HA HIS A 126 4.154 -15.756 -1.558 1.00 44.53 H new ATOM 0 HB2 HIS A 126 1.746 -14.312 -2.683 1.00 13.41 H new ATOM 0 HB3 HIS A 126 2.793 -15.291 -3.692 1.00 13.41 H new ATOM 0 HD2 HIS A 126 2.883 -18.099 -2.832 1.00 60.02 H new ATOM 0 HE1 HIS A 126 -0.879 -17.839 -0.895 1.00 3.32 H new ATOM 0 HE2 HIS A 126 0.910 -19.424 -1.762 1.00 60.34 H new ATOM 1944 N HIS A 127 5.811 -13.750 -1.989 1.00 30.54 N ATOM 1945 CA HIS A 127 6.828 -12.890 -2.606 1.00 44.22 C ATOM 1946 C HIS A 127 8.189 -13.565 -2.560 1.00 63.51 C ATOM 1947 O HIS A 127 8.420 -14.469 -1.756 1.00 54.14 O ATOM 1948 CB HIS A 127 6.956 -11.525 -1.895 1.00 73.22 C ATOM 1949 CG HIS A 127 5.869 -10.539 -2.177 1.00 44.43 C ATOM 1950 ND1 HIS A 127 4.804 -10.336 -1.338 1.00 43.03 N ATOM 1951 CD2 HIS A 127 5.704 -9.679 -3.206 1.00 0.03 C ATOM 1952 CE1 HIS A 127 4.031 -9.393 -1.829 1.00 42.34 C ATOM 1953 NE2 HIS A 127 4.550 -8.968 -2.965 1.00 10.32 N ATOM 0 H HIS A 127 6.142 -14.270 -1.177 1.00 30.54 H new ATOM 0 HA HIS A 127 6.506 -12.725 -3.634 1.00 44.22 H new ATOM 0 HB2 HIS A 127 6.992 -11.699 -0.820 1.00 73.22 H new ATOM 0 HB3 HIS A 127 7.909 -11.077 -2.178 1.00 73.22 H new ATOM 0 HD1 HIS A 127 4.637 -10.839 -0.467 1.00 43.03 H new ATOM 0 HD2 HIS A 127 6.357 -9.570 -4.060 1.00 0.03 H new ATOM 0 HE1 HIS A 127 3.121 -9.027 -1.377 1.00 42.34 H new ATOM 1962 N HIS A 128 9.076 -13.119 -3.443 1.00 51.12 N ATOM 1963 CA HIS A 128 10.494 -13.412 -3.329 1.00 1.30 C ATOM 1964 C HIS A 128 11.093 -12.365 -2.394 1.00 71.11 C ATOM 1965 O HIS A 128 10.966 -11.166 -2.653 1.00 0.42 O ATOM 1966 CB HIS A 128 11.165 -13.379 -4.729 1.00 10.15 C ATOM 1967 CG HIS A 128 12.657 -13.629 -4.741 1.00 41.52 C ATOM 1968 ND1 HIS A 128 13.214 -14.890 -4.743 1.00 71.43 N ATOM 1969 CD2 HIS A 128 13.703 -12.762 -4.779 1.00 10.01 C ATOM 1970 CE1 HIS A 128 14.530 -14.791 -4.770 1.00 23.22 C ATOM 1971 NE2 HIS A 128 14.852 -13.515 -4.790 1.00 40.55 N ATOM 0 H HIS A 128 8.831 -12.548 -4.252 1.00 51.12 H new ATOM 0 HA HIS A 128 10.661 -14.411 -2.925 1.00 1.30 H new ATOM 0 HB2 HIS A 128 10.684 -14.125 -5.361 1.00 10.15 H new ATOM 0 HB3 HIS A 128 10.973 -12.406 -5.182 1.00 10.15 H new ATOM 0 HD2 HIS A 128 13.642 -11.684 -4.797 1.00 10.01 H new ATOM 0 HE1 HIS A 128 15.225 -15.618 -4.775 1.00 23.22 H new ATOM 0 HE2 HIS A 128 15.802 -13.145 -4.810 1.00 40.55 H new ATOM 1980 N HIS A 129 11.707 -12.828 -1.304 1.00 31.55 N ATOM 1981 CA HIS A 129 12.319 -11.946 -0.316 1.00 62.13 C ATOM 1982 C HIS A 129 13.531 -11.242 -0.917 1.00 64.35 C ATOM 1983 O HIS A 129 14.488 -11.887 -1.343 1.00 34.42 O ATOM 1984 CB HIS A 129 12.719 -12.743 0.944 1.00 62.33 C ATOM 1985 CG HIS A 129 13.199 -11.891 2.091 1.00 71.12 C ATOM 1986 ND1 HIS A 129 14.520 -11.535 2.270 1.00 5.51 N ATOM 1987 CD2 HIS A 129 12.518 -11.294 3.088 1.00 34.30 C ATOM 1988 CE1 HIS A 129 14.619 -10.748 3.324 1.00 64.55 C ATOM 1989 NE2 HIS A 129 13.420 -10.580 3.843 1.00 74.21 N ATOM 0 H HIS A 129 11.793 -13.820 -1.084 1.00 31.55 H new ATOM 0 HA HIS A 129 11.591 -11.189 -0.023 1.00 62.13 H new ATOM 0 HB2 HIS A 129 11.862 -13.329 1.276 1.00 62.33 H new ATOM 0 HB3 HIS A 129 13.505 -13.450 0.678 1.00 62.33 H new ATOM 0 HD2 HIS A 129 11.455 -11.363 3.263 1.00 34.30 H new ATOM 0 HE1 HIS A 129 15.533 -10.313 3.700 1.00 64.55 H new ATOM 0 HE2 HIS A 129 13.198 -10.017 4.664 1.00 74.21 H new ATOM 1998 N HIS A 130 13.462 -9.921 -0.946 1.00 55.35 N ATOM 1999 CA HIS A 130 14.544 -9.096 -1.448 1.00 73.11 C ATOM 2000 C HIS A 130 15.424 -8.670 -0.275 1.00 54.40 C ATOM 2001 O HIS A 130 14.916 -8.303 0.788 1.00 54.15 O ATOM 2002 CB HIS A 130 13.966 -7.870 -2.184 1.00 21.12 C ATOM 2003 CG HIS A 130 14.859 -7.301 -3.252 1.00 24.15 C ATOM 2004 ND1 HIS A 130 14.713 -7.604 -4.586 1.00 63.13 N ATOM 2005 CD2 HIS A 130 15.888 -6.422 -3.182 1.00 30.11 C ATOM 2006 CE1 HIS A 130 15.613 -6.943 -5.291 1.00 42.22 C ATOM 2007 NE2 HIS A 130 16.341 -6.219 -4.462 1.00 73.03 N ATOM 0 H HIS A 130 12.653 -9.392 -0.621 1.00 55.35 H new ATOM 0 HA HIS A 130 15.151 -9.659 -2.158 1.00 73.11 H new ATOM 0 HB2 HIS A 130 13.014 -8.150 -2.636 1.00 21.12 H new ATOM 0 HB3 HIS A 130 13.755 -7.090 -1.452 1.00 21.12 H new ATOM 0 HD2 HIS A 130 16.279 -5.965 -2.285 1.00 30.11 H new ATOM 0 HE1 HIS A 130 15.733 -6.987 -6.363 1.00 42.22 H new ATOM 0 HE2 HIS A 130 17.114 -5.609 -4.729 1.00 73.03 H new ATOM 2016 N HIS A 131 16.736 -8.753 -0.461 1.00 24.43 N ATOM 2017 CA HIS A 131 17.678 -8.329 0.574 1.00 22.55 C ATOM 2018 C HIS A 131 17.903 -6.821 0.514 1.00 30.21 C ATOM 2019 O HIS A 131 18.006 -6.242 -0.570 1.00 21.40 O ATOM 2020 CB HIS A 131 19.022 -9.057 0.450 1.00 40.13 C ATOM 2021 CG HIS A 131 19.019 -10.477 0.938 1.00 73.33 C ATOM 2022 ND1 HIS A 131 19.651 -11.498 0.270 1.00 13.53 N ATOM 2023 CD2 HIS A 131 18.501 -11.031 2.059 1.00 41.31 C ATOM 2024 CE1 HIS A 131 19.525 -12.617 0.954 1.00 64.25 C ATOM 2025 NE2 HIS A 131 18.830 -12.360 2.044 1.00 51.20 N ATOM 0 H HIS A 131 17.172 -9.107 -1.312 1.00 24.43 H new ATOM 0 HA HIS A 131 17.237 -8.589 1.536 1.00 22.55 H new ATOM 0 HB2 HIS A 131 19.328 -9.048 -0.596 1.00 40.13 H new ATOM 0 HB3 HIS A 131 19.774 -8.498 1.007 1.00 40.13 H new ATOM 0 HD2 HIS A 131 17.934 -10.520 2.823 1.00 41.31 H new ATOM 0 HE1 HIS A 131 19.923 -13.580 0.670 1.00 64.25 H new ATOM 0 HE2 HIS A 131 18.578 -13.041 2.760 1.00 51.20 H new TER 2034 HIS A 131