USER MOD reduce.3.24.130724 H: found=0, std=0, add=1086, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 1092 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 71 GLN :FLIP amide:sc= -0.687 F(o=-3.4!,f=-0.84) USER MOD Set 1.2: B 75 THR OG1 : rot -130:sc= -0.153 USER MOD Set 2.1: B 68 GLN :FLIP amide:sc= 0.245 F(o=-0.12,f=0.82) USER MOD Set 2.2: B 70 SER OG : rot 141:sc= 0.575 USER MOD Set 3.1: B 58 SER OG : rot 180:sc= -0.0182 USER MOD Set 3.2: B 60 MET CE :methyl -163:sc= -0.0277 (180deg=-0.586) USER MOD Set 4.1: A 74 TYR OH : rot 58:sc= 0.507 USER MOD Set 4.2: A 116 CYS SG : rot -61:sc= 1.28 USER MOD Set 4.3: A 120 THR OG1 : rot 72:sc= 1.39 USER MOD Set 4.4: B 74 TYR OH : rot 87:sc= 1.24 USER MOD Set 4.5: B 116 CYS SG : rot -128:sc= -1.09! USER MOD Set 5.1: A 60 MET CE :methyl -173:sc= 0 (180deg=0) USER MOD Set 5.2: A 62 MET CE :methyl -142:sc= -0.0718 (180deg=-0.496) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 HIS : no HE2:sc= -0.321 K(o=-0.32,f=-1.4) USER MOD Single : A 63 LYS NZ :NH3+ -174:sc= -0.0145 (180deg=-0.0823) USER MOD Single : A 68 GLN : amide:sc= -1.18 X(o=-1.2,f=-0.77) USER MOD Single : A 70 SER OG : rot -169:sc= 0.113 USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 44:sc= 0.761 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 84 MET CE :methyl 145:sc= -1.38 (180deg=-2.5) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 89:sc= 1.12 USER MOD Single : A 92 TYR OH : rot 180:sc= -0.853 USER MOD Single : A 95 SER OG : rot 88:sc= 0.0337 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl -154:sc= -0.286 (180deg=-0.937) USER MOD Single : A 103 LYS NZ :NH3+ -128:sc= 0.147 (180deg=-1.38!) USER MOD Single : A 108 HIS : no HD1:sc= -0.0605 X(o=-0.061,f=0.0014) USER MOD Single : A 123 ASN : amide:sc= -0.794 X(o=-0.79,f=-0.74) USER MOD Single : A 126 THR OG1 : rot 180:sc= 0 USER MOD Single : B 59 HIS : no HD1:sc=-0.00817 X(o=-0.0082,f=0) USER MOD Single : B 62 MET CE :methyl 150:sc= -0.0255 (180deg=-0.0383) USER MOD Single : B 63 LYS NZ :NH3+ -147:sc= 0.645 (180deg=-0.311) USER MOD Single : B 72 SER OG : rot 180:sc= 0 USER MOD Single : B 73 THR OG1 : rot 180:sc= 0 USER MOD Single : B 79 SER OG : rot 180:sc= 0 USER MOD Single : B 84 MET CE :methyl 161:sc= -1.52 (180deg=-2.43!) USER MOD Single : B 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 91 THR OG1 : rot 89:sc= 0.52 USER MOD Single : B 92 TYR OH : rot 180:sc= -1.64! USER MOD Single : B 95 SER OG : rot 180:sc= 0 USER MOD Single : B 96 LYS NZ :NH3+ 169:sc= -0.0281 (180deg=-0.205) USER MOD Single : B 97 SER OG : rot 180:sc= 0 USER MOD Single : B 99 MET CE :methyl -161:sc= -0.0948 (180deg=-0.531) USER MOD Single : B 103 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00115) USER MOD Single : B 108 HIS : no HD1:sc= -0.0245 K(o=-0.025,f=-0.76) USER MOD Single : B 120 THR OG1 : rot 72:sc= 1.22 USER MOD Single : B 123 ASN : amide:sc= 1.61 K(o=1.6,f=-8.5!) USER MOD Single : B 126 THR OG1 : rot 40:sc= 0.243 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 58 -18.697 -1.008 -23.715 1.00 34.51 N ATOM 2 CA SER A 58 -19.800 -0.376 -22.974 1.00 63.12 C ATOM 3 C SER A 58 -19.568 -0.521 -21.459 1.00 54.45 C ATOM 4 O SER A 58 -19.501 -1.647 -20.951 1.00 54.44 O ATOM 5 CB SER A 58 -21.142 -1.022 -23.391 1.00 33.01 C ATOM 6 OG SER A 58 -22.244 -0.376 -22.780 1.00 15.24 O ATOM 0 HA SER A 58 -19.837 0.687 -23.212 1.00 63.12 H new ATOM 0 HB2 SER A 58 -21.248 -0.975 -24.475 1.00 33.01 H new ATOM 0 HB3 SER A 58 -21.140 -2.077 -23.116 1.00 33.01 H new ATOM 0 HG SER A 58 -23.076 -0.808 -23.066 1.00 15.24 H new ATOM 14 N HIS A 59 -19.412 0.621 -20.746 1.00 4.25 N ATOM 15 CA HIS A 59 -19.316 0.644 -19.270 1.00 32.34 C ATOM 16 C HIS A 59 -20.737 0.634 -18.693 1.00 51.40 C ATOM 17 O HIS A 59 -21.462 1.623 -18.840 1.00 14.11 O ATOM 18 CB HIS A 59 -18.545 1.896 -18.764 1.00 41.13 C ATOM 19 CG HIS A 59 -17.126 2.010 -19.265 1.00 10.04 C ATOM 20 ND1 HIS A 59 -16.073 1.315 -18.713 1.00 23.24 N ATOM 21 CD2 HIS A 59 -16.591 2.740 -20.276 1.00 13.15 C ATOM 22 CE1 HIS A 59 -14.961 1.617 -19.353 1.00 70.13 C ATOM 23 NE2 HIS A 59 -15.249 2.473 -20.307 1.00 62.32 N ATOM 0 H HIS A 59 -19.350 1.544 -21.176 1.00 4.25 H new ATOM 0 HA HIS A 59 -18.761 -0.233 -18.938 1.00 32.34 H new ATOM 0 HB2 HIS A 59 -19.094 2.789 -19.063 1.00 41.13 H new ATOM 0 HB3 HIS A 59 -18.531 1.881 -17.674 1.00 41.13 H new ATOM 0 HD1 HIS A 59 -16.143 0.666 -17.929 1.00 23.24 H new ATOM 0 HD2 HIS A 59 -17.126 3.408 -20.935 1.00 13.15 H new ATOM 0 HE1 HIS A 59 -13.979 1.227 -19.131 1.00 70.13 H new ATOM 32 N MET A 60 -21.141 -0.490 -18.067 1.00 44.34 N ATOM 33 CA MET A 60 -22.493 -0.648 -17.495 1.00 12.03 C ATOM 34 C MET A 60 -22.652 0.228 -16.238 1.00 1.24 C ATOM 35 O MET A 60 -23.745 0.721 -15.957 1.00 54.11 O ATOM 36 CB MET A 60 -22.779 -2.140 -17.167 1.00 32.14 C ATOM 37 CG MET A 60 -24.252 -2.446 -16.839 1.00 4.04 C ATOM 38 SD MET A 60 -25.361 -1.981 -18.191 1.00 21.31 S ATOM 39 CE MET A 60 -26.932 -2.666 -17.666 1.00 10.41 C ATOM 0 H MET A 60 -20.544 -1.308 -17.944 1.00 44.34 H new ATOM 0 HA MET A 60 -23.221 -0.319 -18.236 1.00 12.03 H new ATOM 0 HB2 MET A 60 -22.474 -2.751 -18.016 1.00 32.14 H new ATOM 0 HB3 MET A 60 -22.161 -2.439 -16.320 1.00 32.14 H new ATOM 0 HG2 MET A 60 -24.363 -3.510 -16.629 1.00 4.04 H new ATOM 0 HG3 MET A 60 -24.540 -1.911 -15.934 1.00 4.04 H new ATOM 0 HE1 MET A 60 -27.663 -2.556 -18.467 1.00 10.41 H new ATOM 0 HE2 MET A 60 -26.808 -3.723 -17.431 1.00 10.41 H new ATOM 0 HE3 MET A 60 -27.282 -2.136 -16.780 1.00 10.41 H new ATOM 49 N ALA A 61 -21.540 0.381 -15.485 1.00 3.13 N ATOM 50 CA ALA A 61 -21.431 1.284 -14.311 1.00 63.34 C ATOM 51 C ALA A 61 -22.424 0.936 -13.175 1.00 61.51 C ATOM 52 O ALA A 61 -22.661 1.753 -12.269 1.00 72.01 O ATOM 53 CB ALA A 61 -21.566 2.757 -14.761 1.00 11.50 C ATOM 0 H ALA A 61 -20.677 -0.127 -15.677 1.00 3.13 H new ATOM 0 HA ALA A 61 -20.440 1.136 -13.881 1.00 63.34 H new ATOM 0 HB1 ALA A 61 -21.485 3.411 -13.893 1.00 11.50 H new ATOM 0 HB2 ALA A 61 -20.773 2.995 -15.470 1.00 11.50 H new ATOM 0 HB3 ALA A 61 -22.535 2.905 -15.237 1.00 11.50 H new ATOM 59 N MET A 62 -22.954 -0.300 -13.212 1.00 43.23 N ATOM 60 CA MET A 62 -23.927 -0.801 -12.236 1.00 34.21 C ATOM 61 C MET A 62 -23.212 -1.262 -10.956 1.00 23.15 C ATOM 62 O MET A 62 -22.331 -2.128 -10.998 1.00 32.24 O ATOM 63 CB MET A 62 -24.742 -1.970 -12.842 1.00 71.42 C ATOM 64 CG MET A 62 -25.797 -2.570 -11.899 1.00 44.11 C ATOM 65 SD MET A 62 -26.615 -4.013 -12.605 1.00 34.54 S ATOM 66 CE MET A 62 -27.361 -3.317 -14.076 1.00 34.33 C ATOM 0 H MET A 62 -22.713 -0.983 -13.930 1.00 43.23 H new ATOM 0 HA MET A 62 -24.611 0.009 -11.982 1.00 34.21 H new ATOM 0 HB2 MET A 62 -25.239 -1.619 -13.746 1.00 71.42 H new ATOM 0 HB3 MET A 62 -24.053 -2.759 -13.143 1.00 71.42 H new ATOM 0 HG2 MET A 62 -25.322 -2.850 -10.959 1.00 44.11 H new ATOM 0 HG3 MET A 62 -26.544 -1.811 -11.665 1.00 44.11 H new ATOM 0 HE1 MET A 62 -28.342 -3.766 -14.234 1.00 34.33 H new ATOM 0 HE2 MET A 62 -27.470 -2.239 -13.953 1.00 34.33 H new ATOM 0 HE3 MET A 62 -26.726 -3.522 -14.938 1.00 34.33 H new ATOM 76 N LYS A 63 -23.600 -0.665 -9.830 1.00 1.23 N ATOM 77 CA LYS A 63 -23.082 -0.995 -8.502 1.00 15.41 C ATOM 78 C LYS A 63 -24.106 -0.515 -7.452 1.00 2.14 C ATOM 79 O LYS A 63 -23.995 0.590 -6.918 1.00 1.11 O ATOM 80 CB LYS A 63 -21.651 -0.395 -8.297 1.00 53.33 C ATOM 81 CG LYS A 63 -21.526 1.110 -8.640 1.00 73.21 C ATOM 82 CD LYS A 63 -20.092 1.653 -8.488 1.00 73.14 C ATOM 83 CE LYS A 63 -20.018 3.170 -8.733 1.00 13.44 C ATOM 84 NZ LYS A 63 -20.563 3.561 -10.061 1.00 62.52 N ATOM 0 H LYS A 63 -24.299 0.078 -9.815 1.00 1.23 H new ATOM 0 HA LYS A 63 -22.961 -2.072 -8.389 1.00 15.41 H new ATOM 0 HB2 LYS A 63 -21.355 -0.543 -7.258 1.00 53.33 H new ATOM 0 HB3 LYS A 63 -20.946 -0.954 -8.912 1.00 53.33 H new ATOM 0 HG2 LYS A 63 -21.861 1.271 -9.665 1.00 73.21 H new ATOM 0 HG3 LYS A 63 -22.193 1.680 -7.993 1.00 73.21 H new ATOM 0 HD2 LYS A 63 -19.725 1.430 -7.486 1.00 73.14 H new ATOM 0 HD3 LYS A 63 -19.435 1.140 -9.190 1.00 73.14 H new ATOM 0 HE2 LYS A 63 -20.571 3.688 -7.950 1.00 13.44 H new ATOM 0 HE3 LYS A 63 -18.981 3.496 -8.659 1.00 13.44 H new ATOM 0 HZ1 LYS A 63 -20.398 4.576 -10.219 1.00 62.52 H new ATOM 0 HZ2 LYS A 63 -20.088 3.013 -10.806 1.00 62.52 H new ATOM 0 HZ3 LYS A 63 -21.585 3.368 -10.087 1.00 62.52 H new ATOM 98 N PRO A 64 -25.194 -1.316 -7.205 1.00 21.20 N ATOM 99 CA PRO A 64 -26.218 -0.981 -6.185 1.00 23.01 C ATOM 100 C PRO A 64 -25.607 -0.924 -4.758 1.00 13.23 C ATOM 101 O PRO A 64 -24.724 -1.724 -4.444 1.00 52.14 O ATOM 102 CB PRO A 64 -27.258 -2.125 -6.328 1.00 12.14 C ATOM 103 CG PRO A 64 -26.518 -3.245 -6.993 1.00 1.45 C ATOM 104 CD PRO A 64 -25.527 -2.586 -7.913 1.00 4.44 C ATOM 0 HA PRO A 64 -26.659 0.005 -6.333 1.00 23.01 H new ATOM 0 HB2 PRO A 64 -27.644 -2.430 -5.356 1.00 12.14 H new ATOM 0 HB3 PRO A 64 -28.113 -1.808 -6.925 1.00 12.14 H new ATOM 0 HG2 PRO A 64 -26.013 -3.872 -6.258 1.00 1.45 H new ATOM 0 HG3 PRO A 64 -27.199 -3.890 -7.548 1.00 1.45 H new ATOM 0 HD2 PRO A 64 -24.643 -3.206 -8.063 1.00 4.44 H new ATOM 0 HD3 PRO A 64 -25.955 -2.397 -8.897 1.00 4.44 H new ATOM 112 N PRO A 65 -26.015 0.063 -3.901 1.00 24.34 N ATOM 113 CA PRO A 65 -25.540 0.155 -2.499 1.00 40.20 C ATOM 114 C PRO A 65 -25.976 -1.057 -1.636 1.00 41.44 C ATOM 115 O PRO A 65 -27.151 -1.194 -1.294 1.00 10.42 O ATOM 116 CB PRO A 65 -26.159 1.488 -1.988 1.00 13.04 C ATOM 117 CG PRO A 65 -26.504 2.250 -3.236 1.00 62.04 C ATOM 118 CD PRO A 65 -26.911 1.201 -4.240 1.00 55.22 C ATOM 0 HA PRO A 65 -24.452 0.141 -2.433 1.00 40.20 H new ATOM 0 HB2 PRO A 65 -27.044 1.306 -1.378 1.00 13.04 H new ATOM 0 HB3 PRO A 65 -25.453 2.041 -1.369 1.00 13.04 H new ATOM 0 HG2 PRO A 65 -27.314 2.957 -3.055 1.00 62.04 H new ATOM 0 HG3 PRO A 65 -25.651 2.827 -3.593 1.00 62.04 H new ATOM 0 HD2 PRO A 65 -27.963 0.932 -4.142 1.00 55.22 H new ATOM 0 HD3 PRO A 65 -26.764 1.542 -5.265 1.00 55.22 H new ATOM 126 N GLY A 66 -25.025 -1.943 -1.325 1.00 20.13 N ATOM 127 CA GLY A 66 -25.264 -3.108 -0.458 1.00 3.11 C ATOM 128 C GLY A 66 -24.151 -3.257 0.559 1.00 12.32 C ATOM 129 O GLY A 66 -23.420 -4.255 0.553 1.00 60.42 O ATOM 0 H GLY A 66 -24.066 -1.875 -1.666 1.00 20.13 H new ATOM 0 HA2 GLY A 66 -26.219 -2.996 0.055 1.00 3.11 H new ATOM 0 HA3 GLY A 66 -25.332 -4.011 -1.065 1.00 3.11 H new ATOM 133 N ALA A 67 -24.003 -2.220 1.409 1.00 32.21 N ATOM 134 CA ALA A 67 -22.942 -2.139 2.430 1.00 34.12 C ATOM 135 C ALA A 67 -23.133 -3.216 3.514 1.00 51.22 C ATOM 136 O ALA A 67 -23.929 -3.041 4.439 1.00 30.53 O ATOM 137 CB ALA A 67 -22.927 -0.731 3.049 1.00 3.12 C ATOM 0 H ALA A 67 -24.622 -1.410 1.405 1.00 32.21 H new ATOM 0 HA ALA A 67 -21.980 -2.325 1.952 1.00 34.12 H new ATOM 0 HB1 ALA A 67 -22.142 -0.673 3.803 1.00 3.12 H new ATOM 0 HB2 ALA A 67 -22.736 0.007 2.270 1.00 3.12 H new ATOM 0 HB3 ALA A 67 -23.892 -0.527 3.513 1.00 3.12 H new ATOM 143 N GLN A 68 -22.413 -4.339 3.368 1.00 72.14 N ATOM 144 CA GLN A 68 -22.568 -5.525 4.233 1.00 20.42 C ATOM 145 C GLN A 68 -21.257 -6.342 4.235 1.00 73.44 C ATOM 146 O GLN A 68 -20.179 -5.792 3.934 1.00 3.41 O ATOM 147 CB GLN A 68 -23.794 -6.358 3.726 1.00 60.33 C ATOM 148 CG GLN A 68 -23.640 -6.955 2.305 1.00 62.13 C ATOM 149 CD GLN A 68 -24.929 -7.579 1.759 1.00 62.24 C ATOM 150 OE1 GLN A 68 -26.031 -7.126 2.059 1.00 24.44 O ATOM 151 NE2 GLN A 68 -24.796 -8.635 0.976 1.00 11.25 N ATOM 0 H GLN A 68 -21.703 -4.453 2.644 1.00 72.14 H new ATOM 0 HA GLN A 68 -22.762 -5.233 5.265 1.00 20.42 H new ATOM 0 HB2 GLN A 68 -23.975 -7.172 4.428 1.00 60.33 H new ATOM 0 HB3 GLN A 68 -24.678 -5.721 3.742 1.00 60.33 H new ATOM 0 HG2 GLN A 68 -23.309 -6.171 1.624 1.00 62.13 H new ATOM 0 HG3 GLN A 68 -22.858 -7.714 2.321 1.00 62.13 H new ATOM 0 HE21 GLN A 68 -23.866 -8.986 0.746 1.00 11.25 H new ATOM 0 HE22 GLN A 68 -25.623 -9.099 0.601 1.00 11.25 H new ATOM 160 N GLY A 69 -21.344 -7.662 4.548 1.00 61.21 N ATOM 161 CA GLY A 69 -20.179 -8.567 4.568 1.00 64.14 C ATOM 162 C GLY A 69 -19.594 -8.902 3.186 1.00 63.01 C ATOM 163 O GLY A 69 -18.805 -9.841 3.060 1.00 25.03 O ATOM 0 H GLY A 69 -22.222 -8.120 4.791 1.00 61.21 H new ATOM 0 HA2 GLY A 69 -19.397 -8.115 5.177 1.00 64.14 H new ATOM 0 HA3 GLY A 69 -20.468 -9.496 5.059 1.00 64.14 H new ATOM 167 N SER A 70 -19.983 -8.134 2.158 1.00 23.41 N ATOM 168 CA SER A 70 -19.455 -8.245 0.800 1.00 43.15 C ATOM 169 C SER A 70 -18.045 -7.632 0.710 1.00 50.43 C ATOM 170 O SER A 70 -17.046 -8.345 0.526 1.00 21.35 O ATOM 171 CB SER A 70 -20.439 -7.535 -0.151 1.00 43.42 C ATOM 172 OG SER A 70 -20.784 -6.232 0.324 1.00 74.14 O ATOM 0 H SER A 70 -20.689 -7.404 2.255 1.00 23.41 H new ATOM 0 HA SER A 70 -19.361 -9.293 0.515 1.00 43.15 H new ATOM 0 HB2 SER A 70 -19.993 -7.455 -1.143 1.00 43.42 H new ATOM 0 HB3 SER A 70 -21.343 -8.136 -0.255 1.00 43.42 H new ATOM 0 HG SER A 70 -21.533 -5.880 -0.200 1.00 74.14 H new ATOM 178 N GLN A 71 -17.984 -6.303 0.885 1.00 40.22 N ATOM 179 CA GLN A 71 -16.739 -5.532 0.799 1.00 23.00 C ATOM 180 C GLN A 71 -15.889 -5.703 2.062 1.00 2.11 C ATOM 181 O GLN A 71 -14.678 -5.547 1.994 1.00 70.42 O ATOM 182 CB GLN A 71 -17.053 -4.037 0.565 1.00 13.43 C ATOM 183 CG GLN A 71 -17.837 -3.375 1.709 1.00 70.34 C ATOM 184 CD GLN A 71 -18.110 -1.896 1.472 1.00 72.42 C ATOM 185 OE1 GLN A 71 -19.126 -1.542 0.903 1.00 43.33 O ATOM 186 NE2 GLN A 71 -17.204 -1.031 1.915 1.00 44.31 N ATOM 0 H GLN A 71 -18.803 -5.732 1.091 1.00 40.22 H new ATOM 0 HA GLN A 71 -16.165 -5.913 -0.046 1.00 23.00 H new ATOM 0 HB2 GLN A 71 -16.117 -3.498 0.421 1.00 13.43 H new ATOM 0 HB3 GLN A 71 -17.624 -3.937 -0.358 1.00 13.43 H new ATOM 0 HG2 GLN A 71 -18.785 -3.896 1.840 1.00 70.34 H new ATOM 0 HG3 GLN A 71 -17.279 -3.490 2.638 1.00 70.34 H new ATOM 0 HE21 GLN A 71 -16.365 -1.368 2.387 1.00 44.31 H new ATOM 0 HE22 GLN A 71 -17.347 -0.030 1.783 1.00 44.31 H new ATOM 195 N SER A 72 -16.557 -6.013 3.203 1.00 33.54 N ATOM 196 CA SER A 72 -15.944 -6.183 4.548 1.00 73.30 C ATOM 197 C SER A 72 -14.636 -6.993 4.548 1.00 34.42 C ATOM 198 O SER A 72 -13.677 -6.629 5.240 1.00 22.55 O ATOM 199 CB SER A 72 -16.966 -6.872 5.482 1.00 0.10 C ATOM 200 OG SER A 72 -16.461 -7.052 6.794 1.00 52.20 O ATOM 0 H SER A 72 -17.567 -6.156 3.214 1.00 33.54 H new ATOM 0 HA SER A 72 -15.685 -5.184 4.898 1.00 73.30 H new ATOM 0 HB2 SER A 72 -17.876 -6.274 5.525 1.00 0.10 H new ATOM 0 HB3 SER A 72 -17.240 -7.841 5.065 1.00 0.10 H new ATOM 0 HG SER A 72 -17.140 -7.489 7.349 1.00 52.20 H new ATOM 206 N THR A 73 -14.584 -8.037 3.719 1.00 21.24 N ATOM 207 CA THR A 73 -13.450 -8.968 3.686 1.00 21.44 C ATOM 208 C THR A 73 -12.231 -8.283 3.016 1.00 52.35 C ATOM 209 O THR A 73 -11.084 -8.454 3.440 1.00 34.35 O ATOM 210 CB THR A 73 -13.856 -10.297 2.951 1.00 74.32 C ATOM 211 OG1 THR A 73 -12.820 -11.272 3.093 1.00 1.13 O ATOM 212 CG2 THR A 73 -14.180 -10.095 1.451 1.00 31.44 C ATOM 0 H THR A 73 -15.323 -8.262 3.053 1.00 21.24 H new ATOM 0 HA THR A 73 -13.166 -9.236 4.704 1.00 21.44 H new ATOM 0 HB THR A 73 -14.772 -10.645 3.428 1.00 74.32 H new ATOM 0 HG1 THR A 73 -13.082 -12.097 2.634 1.00 1.13 H new ATOM 0 HG21 THR A 73 -14.452 -11.052 1.006 1.00 31.44 H new ATOM 0 HG22 THR A 73 -15.011 -9.398 1.349 1.00 31.44 H new ATOM 0 HG23 THR A 73 -13.305 -9.693 0.941 1.00 31.44 H new ATOM 220 N TYR A 74 -12.531 -7.483 1.985 1.00 33.14 N ATOM 221 CA TYR A 74 -11.550 -6.721 1.204 1.00 41.41 C ATOM 222 C TYR A 74 -11.195 -5.362 1.867 1.00 14.14 C ATOM 223 O TYR A 74 -10.143 -4.783 1.567 1.00 44.25 O ATOM 224 CB TYR A 74 -12.120 -6.539 -0.217 1.00 30.34 C ATOM 225 CG TYR A 74 -11.200 -5.810 -1.191 1.00 14.22 C ATOM 226 CD1 TYR A 74 -10.019 -6.400 -1.644 1.00 21.34 C ATOM 227 CD2 TYR A 74 -11.502 -4.532 -1.648 1.00 54.04 C ATOM 228 CE1 TYR A 74 -9.188 -5.732 -2.509 1.00 72.21 C ATOM 229 CE2 TYR A 74 -10.677 -3.867 -2.508 1.00 43.23 C ATOM 230 CZ TYR A 74 -9.522 -4.464 -2.937 1.00 1.11 C ATOM 231 OH TYR A 74 -8.697 -3.791 -3.800 1.00 41.30 O ATOM 0 H TYR A 74 -13.489 -7.345 1.663 1.00 33.14 H new ATOM 0 HA TYR A 74 -10.610 -7.271 1.160 1.00 41.41 H new ATOM 0 HB2 TYR A 74 -12.354 -7.521 -0.627 1.00 30.34 H new ATOM 0 HB3 TYR A 74 -13.059 -5.991 -0.148 1.00 30.34 H new ATOM 0 HD1 TYR A 74 -9.756 -7.393 -1.310 1.00 21.34 H new ATOM 0 HD2 TYR A 74 -12.411 -4.054 -1.314 1.00 54.04 H new ATOM 0 HE1 TYR A 74 -8.276 -6.198 -2.853 1.00 72.21 H new ATOM 0 HE2 TYR A 74 -10.934 -2.875 -2.848 1.00 43.23 H new ATOM 0 HH TYR A 74 -8.580 -4.317 -4.618 1.00 41.30 H new ATOM 241 N THR A 75 -12.078 -4.861 2.767 1.00 12.23 N ATOM 242 CA THR A 75 -11.906 -3.547 3.445 1.00 32.34 C ATOM 243 C THR A 75 -10.633 -3.523 4.322 1.00 73.12 C ATOM 244 O THR A 75 -10.095 -2.447 4.632 1.00 74.00 O ATOM 245 CB THR A 75 -13.169 -3.192 4.309 1.00 42.43 C ATOM 246 OG1 THR A 75 -14.345 -3.249 3.486 1.00 74.43 O ATOM 247 CG2 THR A 75 -13.084 -1.787 4.952 1.00 61.22 C ATOM 0 H THR A 75 -12.927 -5.353 3.044 1.00 12.23 H new ATOM 0 HA THR A 75 -11.793 -2.793 2.666 1.00 32.34 H new ATOM 0 HB THR A 75 -13.215 -3.924 5.115 1.00 42.43 H new ATOM 0 HG1 THR A 75 -14.309 -4.047 2.919 1.00 74.43 H new ATOM 0 HG21 THR A 75 -13.985 -1.599 5.536 1.00 61.22 H new ATOM 0 HG22 THR A 75 -12.212 -1.737 5.604 1.00 61.22 H new ATOM 0 HG23 THR A 75 -12.995 -1.033 4.169 1.00 61.22 H new ATOM 255 N ASP A 76 -10.158 -4.733 4.691 1.00 1.43 N ATOM 256 CA ASP A 76 -8.874 -4.929 5.378 1.00 33.14 C ATOM 257 C ASP A 76 -7.733 -4.199 4.644 1.00 75.43 C ATOM 258 O ASP A 76 -6.921 -3.535 5.279 1.00 22.14 O ATOM 259 CB ASP A 76 -8.556 -6.438 5.489 1.00 43.15 C ATOM 260 CG ASP A 76 -7.257 -6.706 6.268 1.00 4.42 C ATOM 261 OD1 ASP A 76 -7.285 -6.634 7.512 1.00 52.21 O ATOM 262 OD2 ASP A 76 -6.204 -6.949 5.650 1.00 23.34 O ATOM 0 H ASP A 76 -10.662 -5.603 4.517 1.00 1.43 H new ATOM 0 HA ASP A 76 -8.957 -4.506 6.379 1.00 33.14 H new ATOM 0 HB2 ASP A 76 -9.384 -6.946 5.983 1.00 43.15 H new ATOM 0 HB3 ASP A 76 -8.472 -6.864 4.489 1.00 43.15 H new ATOM 267 N LEU A 77 -7.738 -4.303 3.300 1.00 32.31 N ATOM 268 CA LEU A 77 -6.748 -3.653 2.426 1.00 64.54 C ATOM 269 C LEU A 77 -6.766 -2.123 2.592 1.00 64.30 C ATOM 270 O LEU A 77 -5.706 -1.515 2.732 1.00 73.04 O ATOM 271 CB LEU A 77 -6.990 -4.043 0.942 1.00 63.14 C ATOM 272 CG LEU A 77 -5.994 -3.426 -0.093 1.00 0.42 C ATOM 273 CD1 LEU A 77 -4.535 -3.755 0.252 1.00 21.41 C ATOM 274 CD2 LEU A 77 -6.329 -3.872 -1.523 1.00 51.31 C ATOM 0 H LEU A 77 -8.435 -4.845 2.789 1.00 32.31 H new ATOM 0 HA LEU A 77 -5.761 -4.007 2.724 1.00 64.54 H new ATOM 0 HB2 LEU A 77 -6.945 -5.129 0.859 1.00 63.14 H new ATOM 0 HB3 LEU A 77 -8.002 -3.744 0.667 1.00 63.14 H new ATOM 0 HG LEU A 77 -6.109 -2.343 -0.039 1.00 0.42 H new ATOM 0 HD11 LEU A 77 -3.876 -3.308 -0.492 1.00 21.41 H new ATOM 0 HD12 LEU A 77 -4.295 -3.355 1.237 1.00 21.41 H new ATOM 0 HD13 LEU A 77 -4.397 -4.836 0.256 1.00 21.41 H new ATOM 0 HD21 LEU A 77 -5.618 -3.426 -2.219 1.00 51.31 H new ATOM 0 HD22 LEU A 77 -6.269 -4.958 -1.589 1.00 51.31 H new ATOM 0 HD23 LEU A 77 -7.338 -3.549 -1.778 1.00 51.31 H new ATOM 286 N LEU A 78 -7.979 -1.530 2.622 1.00 54.52 N ATOM 287 CA LEU A 78 -8.173 -0.069 2.804 1.00 24.32 C ATOM 288 C LEU A 78 -7.485 0.414 4.096 1.00 75.21 C ATOM 289 O LEU A 78 -6.845 1.483 4.129 1.00 2.02 O ATOM 290 CB LEU A 78 -9.691 0.270 2.862 1.00 44.40 C ATOM 291 CG LEU A 78 -10.056 1.792 2.923 1.00 51.13 C ATOM 292 CD1 LEU A 78 -9.761 2.496 1.578 1.00 2.32 C ATOM 293 CD2 LEU A 78 -11.519 2.009 3.376 1.00 40.13 C ATOM 0 H LEU A 78 -8.852 -2.047 2.521 1.00 54.52 H new ATOM 0 HA LEU A 78 -7.723 0.443 1.953 1.00 24.32 H new ATOM 0 HB2 LEU A 78 -10.173 -0.163 1.986 1.00 44.40 H new ATOM 0 HB3 LEU A 78 -10.119 -0.221 3.736 1.00 44.40 H new ATOM 0 HG LEU A 78 -9.417 2.252 3.677 1.00 51.13 H new ATOM 0 HD11 LEU A 78 -10.025 3.551 1.654 1.00 2.32 H new ATOM 0 HD12 LEU A 78 -8.700 2.404 1.344 1.00 2.32 H new ATOM 0 HD13 LEU A 78 -10.349 2.031 0.787 1.00 2.32 H new ATOM 0 HD21 LEU A 78 -11.736 3.077 3.406 1.00 40.13 H new ATOM 0 HD22 LEU A 78 -12.194 1.522 2.672 1.00 40.13 H new ATOM 0 HD23 LEU A 78 -11.660 1.582 4.369 1.00 40.13 H new ATOM 305 N SER A 79 -7.615 -0.423 5.142 1.00 55.43 N ATOM 306 CA SER A 79 -6.979 -0.203 6.434 1.00 74.02 C ATOM 307 C SER A 79 -5.448 -0.309 6.309 1.00 34.42 C ATOM 308 O SER A 79 -4.757 0.617 6.705 1.00 43.43 O ATOM 309 CB SER A 79 -7.525 -1.200 7.475 1.00 70.54 C ATOM 310 OG SER A 79 -6.990 -0.952 8.761 1.00 32.15 O ATOM 0 H SER A 79 -8.172 -1.277 5.103 1.00 55.43 H new ATOM 0 HA SER A 79 -7.216 0.805 6.774 1.00 74.02 H new ATOM 0 HB2 SER A 79 -8.612 -1.130 7.512 1.00 70.54 H new ATOM 0 HB3 SER A 79 -7.282 -2.217 7.169 1.00 70.54 H new ATOM 0 HG SER A 79 -7.357 -1.600 9.398 1.00 32.15 H new ATOM 316 N VAL A 80 -4.945 -1.410 5.687 1.00 11.20 N ATOM 317 CA VAL A 80 -3.491 -1.689 5.558 1.00 11.11 C ATOM 318 C VAL A 80 -2.749 -0.495 4.921 1.00 54.32 C ATOM 319 O VAL A 80 -1.690 -0.088 5.403 1.00 75.35 O ATOM 320 CB VAL A 80 -3.201 -2.997 4.707 1.00 22.00 C ATOM 321 CG1 VAL A 80 -1.683 -3.242 4.534 1.00 63.43 C ATOM 322 CG2 VAL A 80 -3.863 -4.242 5.328 1.00 4.11 C ATOM 0 H VAL A 80 -5.535 -2.126 5.263 1.00 11.20 H new ATOM 0 HA VAL A 80 -3.121 -1.850 6.571 1.00 11.11 H new ATOM 0 HB VAL A 80 -3.639 -2.828 3.723 1.00 22.00 H new ATOM 0 HG11 VAL A 80 -1.525 -4.146 3.946 1.00 63.43 H new ATOM 0 HG12 VAL A 80 -1.233 -2.392 4.020 1.00 63.43 H new ATOM 0 HG13 VAL A 80 -1.220 -3.360 5.513 1.00 63.43 H new ATOM 0 HG21 VAL A 80 -3.641 -5.116 4.716 1.00 4.11 H new ATOM 0 HG22 VAL A 80 -3.475 -4.396 6.335 1.00 4.11 H new ATOM 0 HG23 VAL A 80 -4.942 -4.096 5.373 1.00 4.11 H new ATOM 332 N ILE A 81 -3.346 0.063 3.851 1.00 4.23 N ATOM 333 CA ILE A 81 -2.789 1.212 3.117 1.00 24.13 C ATOM 334 C ILE A 81 -2.642 2.455 4.022 1.00 32.12 C ATOM 335 O ILE A 81 -1.593 3.100 4.046 1.00 33.53 O ATOM 336 CB ILE A 81 -3.670 1.584 1.865 1.00 61.04 C ATOM 337 CG1 ILE A 81 -3.899 0.347 0.941 1.00 43.14 C ATOM 338 CG2 ILE A 81 -3.036 2.745 1.071 1.00 42.12 C ATOM 339 CD1 ILE A 81 -2.636 -0.330 0.443 1.00 51.13 C ATOM 0 H ILE A 81 -4.231 -0.273 3.471 1.00 4.23 H new ATOM 0 HA ILE A 81 -1.800 0.906 2.777 1.00 24.13 H new ATOM 0 HB ILE A 81 -4.643 1.910 2.233 1.00 61.04 H new ATOM 0 HG12 ILE A 81 -4.495 -0.386 1.484 1.00 43.14 H new ATOM 0 HG13 ILE A 81 -4.488 0.661 0.079 1.00 43.14 H new ATOM 0 HG21 ILE A 81 -3.663 2.983 0.212 1.00 42.12 H new ATOM 0 HG22 ILE A 81 -2.952 3.622 1.713 1.00 42.12 H new ATOM 0 HG23 ILE A 81 -2.044 2.451 0.727 1.00 42.12 H new ATOM 0 HD11 ILE A 81 -2.902 -1.177 -0.190 1.00 51.13 H new ATOM 0 HD12 ILE A 81 -2.045 0.382 -0.133 1.00 51.13 H new ATOM 0 HD13 ILE A 81 -2.052 -0.682 1.294 1.00 51.13 H new ATOM 351 N GLU A 82 -3.696 2.778 4.764 1.00 14.44 N ATOM 352 CA GLU A 82 -3.722 3.986 5.606 1.00 12.32 C ATOM 353 C GLU A 82 -2.871 3.795 6.891 1.00 2.34 C ATOM 354 O GLU A 82 -2.294 4.750 7.421 1.00 2.25 O ATOM 355 CB GLU A 82 -5.190 4.344 5.942 1.00 0.53 C ATOM 356 CG GLU A 82 -5.377 5.713 6.622 1.00 53.33 C ATOM 357 CD GLU A 82 -6.846 6.016 6.924 1.00 0.32 C ATOM 358 OE1 GLU A 82 -7.374 5.475 7.912 1.00 21.21 O ATOM 359 OE2 GLU A 82 -7.483 6.771 6.160 1.00 74.25 O ATOM 0 H GLU A 82 -4.551 2.223 4.805 1.00 14.44 H new ATOM 0 HA GLU A 82 -3.276 4.815 5.056 1.00 12.32 H new ATOM 0 HB2 GLU A 82 -5.774 4.327 5.022 1.00 0.53 H new ATOM 0 HB3 GLU A 82 -5.599 3.571 6.593 1.00 0.53 H new ATOM 0 HG2 GLU A 82 -4.805 5.736 7.550 1.00 53.33 H new ATOM 0 HG3 GLU A 82 -4.972 6.494 5.978 1.00 53.33 H new ATOM 366 N GLU A 83 -2.759 2.545 7.357 1.00 20.44 N ATOM 367 CA GLU A 83 -2.005 2.211 8.581 1.00 1.13 C ATOM 368 C GLU A 83 -0.499 2.108 8.301 1.00 22.11 C ATOM 369 O GLU A 83 0.313 2.342 9.197 1.00 71.24 O ATOM 370 CB GLU A 83 -2.542 0.902 9.208 1.00 12.32 C ATOM 371 CG GLU A 83 -4.004 0.979 9.688 1.00 3.03 C ATOM 372 CD GLU A 83 -4.249 2.051 10.763 1.00 31.21 C ATOM 373 OE1 GLU A 83 -4.069 1.759 11.960 1.00 51.11 O ATOM 374 OE2 GLU A 83 -4.635 3.190 10.413 1.00 63.30 O ATOM 0 H GLU A 83 -3.185 1.737 6.902 1.00 20.44 H new ATOM 0 HA GLU A 83 -2.150 3.021 9.296 1.00 1.13 H new ATOM 0 HB2 GLU A 83 -2.455 0.100 8.475 1.00 12.32 H new ATOM 0 HB3 GLU A 83 -1.909 0.632 10.053 1.00 12.32 H new ATOM 0 HG2 GLU A 83 -4.647 1.183 8.832 1.00 3.03 H new ATOM 0 HG3 GLU A 83 -4.298 0.007 10.084 1.00 3.03 H new ATOM 381 N MET A 84 -0.127 1.751 7.062 1.00 0.43 N ATOM 382 CA MET A 84 1.281 1.799 6.636 1.00 20.22 C ATOM 383 C MET A 84 1.668 3.277 6.384 1.00 1.13 C ATOM 384 O MET A 84 2.799 3.686 6.647 1.00 21.04 O ATOM 385 CB MET A 84 1.530 0.915 5.366 1.00 4.33 C ATOM 386 CG MET A 84 1.041 1.524 4.049 1.00 45.52 C ATOM 387 SD MET A 84 1.506 0.615 2.562 1.00 40.32 S ATOM 388 CE MET A 84 0.493 -0.850 2.662 1.00 42.30 C ATOM 0 H MET A 84 -0.775 1.429 6.343 1.00 0.43 H new ATOM 0 HA MET A 84 1.912 1.387 7.423 1.00 20.22 H new ATOM 0 HB2 MET A 84 2.599 0.717 5.283 1.00 4.33 H new ATOM 0 HB3 MET A 84 1.038 -0.047 5.509 1.00 4.33 H new ATOM 0 HG2 MET A 84 -0.046 1.600 4.084 1.00 45.52 H new ATOM 0 HG3 MET A 84 1.429 2.540 3.971 1.00 45.52 H new ATOM 0 HE1 MET A 84 0.191 -1.153 1.659 1.00 42.30 H new ATOM 0 HE2 MET A 84 1.062 -1.655 3.128 1.00 42.30 H new ATOM 0 HE3 MET A 84 -0.394 -0.639 3.260 1.00 42.30 H new ATOM 398 N GLY A 85 0.660 4.070 5.923 1.00 62.53 N ATOM 399 CA GLY A 85 0.825 5.484 5.585 1.00 44.40 C ATOM 400 C GLY A 85 1.249 6.366 6.746 1.00 45.42 C ATOM 401 O GLY A 85 1.921 7.387 6.546 1.00 50.22 O ATOM 0 H GLY A 85 -0.290 3.728 5.780 1.00 62.53 H new ATOM 0 HA2 GLY A 85 1.567 5.570 4.791 1.00 44.40 H new ATOM 0 HA3 GLY A 85 -0.116 5.861 5.185 1.00 44.40 H new ATOM 405 N LYS A 86 0.875 5.960 7.967 1.00 74.12 N ATOM 406 CA LYS A 86 1.203 6.712 9.184 1.00 62.30 C ATOM 407 C LYS A 86 2.609 6.327 9.688 1.00 53.41 C ATOM 408 O LYS A 86 3.295 7.144 10.316 1.00 43.34 O ATOM 409 CB LYS A 86 0.120 6.474 10.268 1.00 74.12 C ATOM 410 CG LYS A 86 0.078 5.045 10.866 1.00 10.25 C ATOM 411 CD LYS A 86 -1.177 4.782 11.733 1.00 2.53 C ATOM 412 CE LYS A 86 -1.324 5.770 12.903 1.00 52.14 C ATOM 413 NZ LYS A 86 -2.570 5.534 13.682 1.00 12.32 N ATOM 0 H LYS A 86 0.341 5.108 8.138 1.00 74.12 H new ATOM 0 HA LYS A 86 1.215 7.778 8.955 1.00 62.30 H new ATOM 0 HB2 LYS A 86 0.281 7.184 11.079 1.00 74.12 H new ATOM 0 HB3 LYS A 86 -0.856 6.698 9.837 1.00 74.12 H new ATOM 0 HG2 LYS A 86 0.110 4.318 10.055 1.00 10.25 H new ATOM 0 HG3 LYS A 86 0.970 4.886 11.472 1.00 10.25 H new ATOM 0 HD2 LYS A 86 -2.065 4.841 11.103 1.00 2.53 H new ATOM 0 HD3 LYS A 86 -1.132 3.767 12.127 1.00 2.53 H new ATOM 0 HE2 LYS A 86 -0.462 5.680 13.563 1.00 52.14 H new ATOM 0 HE3 LYS A 86 -1.325 6.790 12.518 1.00 52.14 H new ATOM 0 HZ1 LYS A 86 -2.628 6.222 14.460 1.00 12.32 H new ATOM 0 HZ2 LYS A 86 -3.395 5.645 13.059 1.00 12.32 H new ATOM 0 HZ3 LYS A 86 -2.558 4.570 14.072 1.00 12.32 H new ATOM 427 N GLU A 87 3.034 5.081 9.364 1.00 23.42 N ATOM 428 CA GLU A 87 4.332 4.525 9.792 1.00 73.35 C ATOM 429 C GLU A 87 5.482 4.933 8.864 1.00 20.24 C ATOM 430 O GLU A 87 6.640 4.675 9.187 1.00 4.24 O ATOM 431 CB GLU A 87 4.266 2.987 9.926 1.00 72.21 C ATOM 432 CG GLU A 87 3.284 2.509 11.014 1.00 5.53 C ATOM 433 CD GLU A 87 3.626 1.114 11.545 1.00 73.14 C ATOM 434 OE1 GLU A 87 4.600 1.010 12.312 1.00 3.24 O ATOM 435 OE2 GLU A 87 2.930 0.135 11.223 1.00 1.44 O ATOM 0 H GLU A 87 2.482 4.436 8.798 1.00 23.42 H new ATOM 0 HA GLU A 87 4.541 4.952 10.773 1.00 73.35 H new ATOM 0 HB2 GLU A 87 3.972 2.559 8.968 1.00 72.21 H new ATOM 0 HB3 GLU A 87 5.262 2.606 10.153 1.00 72.21 H new ATOM 0 HG2 GLU A 87 3.289 3.220 11.841 1.00 5.53 H new ATOM 0 HG3 GLU A 87 2.273 2.501 10.607 1.00 5.53 H new ATOM 442 N ILE A 88 5.160 5.589 7.744 1.00 3.54 N ATOM 443 CA ILE A 88 6.166 6.145 6.816 1.00 51.13 C ATOM 444 C ILE A 88 7.023 7.226 7.508 1.00 31.24 C ATOM 445 O ILE A 88 8.213 7.340 7.234 1.00 65.12 O ATOM 446 CB ILE A 88 5.468 6.746 5.542 1.00 50.12 C ATOM 447 CG1 ILE A 88 4.685 5.626 4.793 1.00 33.43 C ATOM 448 CG2 ILE A 88 6.477 7.461 4.599 1.00 30.45 C ATOM 449 CD1 ILE A 88 3.863 6.111 3.623 1.00 52.42 C ATOM 0 H ILE A 88 4.197 5.752 7.450 1.00 3.54 H new ATOM 0 HA ILE A 88 6.823 5.331 6.509 1.00 51.13 H new ATOM 0 HB ILE A 88 4.764 7.510 5.872 1.00 50.12 H new ATOM 0 HG12 ILE A 88 5.395 4.880 4.437 1.00 33.43 H new ATOM 0 HG13 ILE A 88 4.025 5.126 5.502 1.00 33.43 H new ATOM 0 HG21 ILE A 88 5.947 7.859 3.734 1.00 30.45 H new ATOM 0 HG22 ILE A 88 6.961 8.277 5.135 1.00 30.45 H new ATOM 0 HG23 ILE A 88 7.231 6.748 4.266 1.00 30.45 H new ATOM 0 HD11 ILE A 88 3.353 5.266 3.162 1.00 52.42 H new ATOM 0 HD12 ILE A 88 3.125 6.834 3.971 1.00 52.42 H new ATOM 0 HD13 ILE A 88 4.517 6.584 2.890 1.00 52.42 H new ATOM 461 N ARG A 89 6.396 7.988 8.420 1.00 54.14 N ATOM 462 CA ARG A 89 7.044 9.118 9.110 1.00 74.21 C ATOM 463 C ARG A 89 8.116 8.626 10.139 1.00 2.23 C ATOM 464 O ARG A 89 9.267 9.073 10.050 1.00 72.05 O ATOM 465 CB ARG A 89 5.966 10.040 9.750 1.00 34.40 C ATOM 466 CG ARG A 89 6.488 11.363 10.355 1.00 73.33 C ATOM 467 CD ARG A 89 5.345 12.233 10.913 1.00 34.20 C ATOM 468 NE ARG A 89 5.799 13.561 11.375 1.00 53.14 N ATOM 469 CZ ARG A 89 5.110 14.712 11.220 1.00 2.15 C ATOM 470 NH1 ARG A 89 3.927 14.729 10.603 1.00 43.34 N ATOM 471 NH2 ARG A 89 5.612 15.841 11.693 1.00 65.30 N ATOM 0 H ARG A 89 5.427 7.839 8.700 1.00 54.14 H new ATOM 0 HA ARG A 89 7.589 9.713 8.378 1.00 74.21 H new ATOM 0 HB2 ARG A 89 5.221 10.278 8.991 1.00 34.40 H new ATOM 0 HB3 ARG A 89 5.455 9.481 10.533 1.00 34.40 H new ATOM 0 HG2 ARG A 89 7.198 11.142 11.152 1.00 73.33 H new ATOM 0 HG3 ARG A 89 7.030 11.922 9.592 1.00 73.33 H new ATOM 0 HD2 ARG A 89 4.586 12.363 10.142 1.00 34.20 H new ATOM 0 HD3 ARG A 89 4.870 11.709 11.743 1.00 34.20 H new ATOM 0 HE ARG A 89 6.702 13.612 11.847 1.00 53.14 H new ATOM 0 HH11 ARG A 89 3.529 13.863 10.239 1.00 43.34 H new ATOM 0 HH12 ARG A 89 3.421 15.608 10.495 1.00 43.34 H new ATOM 0 HH21 ARG A 89 6.513 15.838 12.171 1.00 65.30 H new ATOM 0 HH22 ARG A 89 5.098 16.715 11.580 1.00 65.30 H new ATOM 485 N PRO A 90 7.802 7.699 11.127 1.00 24.30 N ATOM 486 CA PRO A 90 8.843 7.119 12.014 1.00 14.04 C ATOM 487 C PRO A 90 9.912 6.319 11.234 1.00 10.23 C ATOM 488 O PRO A 90 11.094 6.418 11.559 1.00 65.04 O ATOM 489 CB PRO A 90 8.049 6.235 13.013 1.00 12.44 C ATOM 490 CG PRO A 90 6.729 5.989 12.352 1.00 74.34 C ATOM 491 CD PRO A 90 6.451 7.213 11.517 1.00 25.32 C ATOM 0 HA PRO A 90 9.421 7.891 12.522 1.00 14.04 H new ATOM 0 HB2 PRO A 90 8.571 5.299 13.212 1.00 12.44 H new ATOM 0 HB3 PRO A 90 7.922 6.739 13.971 1.00 12.44 H new ATOM 0 HG2 PRO A 90 6.763 5.093 11.732 1.00 74.34 H new ATOM 0 HG3 PRO A 90 5.944 5.835 13.092 1.00 74.34 H new ATOM 0 HD2 PRO A 90 5.847 6.971 10.643 1.00 25.32 H new ATOM 0 HD3 PRO A 90 5.904 7.967 12.084 1.00 25.32 H new ATOM 499 N THR A 91 9.495 5.560 10.192 1.00 12.14 N ATOM 500 CA THR A 91 10.426 4.864 9.266 1.00 65.33 C ATOM 501 C THR A 91 11.442 5.853 8.658 1.00 33.54 C ATOM 502 O THR A 91 12.652 5.606 8.667 1.00 30.53 O ATOM 503 CB THR A 91 9.636 4.157 8.118 1.00 32.25 C ATOM 504 OG1 THR A 91 8.839 3.105 8.674 1.00 55.55 O ATOM 505 CG2 THR A 91 10.547 3.580 7.014 1.00 45.21 C ATOM 0 H THR A 91 8.511 5.412 9.969 1.00 12.14 H new ATOM 0 HA THR A 91 10.967 4.114 9.843 1.00 65.33 H new ATOM 0 HB THR A 91 9.012 4.916 7.646 1.00 32.25 H new ATOM 0 HG1 THR A 91 7.966 3.462 8.940 1.00 55.55 H new ATOM 0 HG21 THR A 91 9.934 3.103 6.249 1.00 45.21 H new ATOM 0 HG22 THR A 91 11.128 4.385 6.564 1.00 45.21 H new ATOM 0 HG23 THR A 91 11.223 2.843 7.448 1.00 45.21 H new ATOM 513 N TYR A 92 10.905 6.978 8.170 1.00 23.24 N ATOM 514 CA TYR A 92 11.682 8.095 7.620 1.00 33.14 C ATOM 515 C TYR A 92 12.681 8.659 8.646 1.00 55.55 C ATOM 516 O TYR A 92 13.729 9.162 8.265 1.00 73.13 O ATOM 517 CB TYR A 92 10.722 9.205 7.113 1.00 51.01 C ATOM 518 CG TYR A 92 11.423 10.457 6.576 1.00 64.43 C ATOM 519 CD1 TYR A 92 12.314 10.373 5.506 1.00 22.02 C ATOM 520 CD2 TYR A 92 11.226 11.709 7.156 1.00 1.45 C ATOM 521 CE1 TYR A 92 12.961 11.482 5.036 1.00 43.21 C ATOM 522 CE2 TYR A 92 11.881 12.827 6.687 1.00 61.14 C ATOM 523 CZ TYR A 92 12.754 12.706 5.629 1.00 63.43 C ATOM 524 OH TYR A 92 13.424 13.816 5.165 1.00 11.45 O ATOM 0 H TYR A 92 9.898 7.140 8.146 1.00 23.24 H new ATOM 0 HA TYR A 92 12.267 7.719 6.781 1.00 33.14 H new ATOM 0 HB2 TYR A 92 10.092 8.791 6.325 1.00 51.01 H new ATOM 0 HB3 TYR A 92 10.061 9.496 7.929 1.00 51.01 H new ATOM 0 HD1 TYR A 92 12.496 9.415 5.041 1.00 22.02 H new ATOM 0 HD2 TYR A 92 10.546 11.805 7.990 1.00 1.45 H new ATOM 0 HE1 TYR A 92 13.636 11.397 4.197 1.00 43.21 H new ATOM 0 HE2 TYR A 92 11.711 13.790 7.145 1.00 61.14 H new ATOM 0 HH TYR A 92 13.163 14.600 5.693 1.00 11.45 H new ATOM 534 N ALA A 93 12.359 8.535 9.943 1.00 11.41 N ATOM 535 CA ALA A 93 13.219 9.010 11.048 1.00 64.44 C ATOM 536 C ALA A 93 14.147 7.885 11.563 1.00 34.12 C ATOM 537 O ALA A 93 14.687 7.977 12.668 1.00 43.13 O ATOM 538 CB ALA A 93 12.339 9.561 12.178 1.00 4.34 C ATOM 0 H ALA A 93 11.492 8.101 10.260 1.00 11.41 H new ATOM 0 HA ALA A 93 13.861 9.808 10.675 1.00 64.44 H new ATOM 0 HB1 ALA A 93 12.971 9.912 12.994 1.00 4.34 H new ATOM 0 HB2 ALA A 93 11.740 10.390 11.801 1.00 4.34 H new ATOM 0 HB3 ALA A 93 11.680 8.773 12.543 1.00 4.34 H new ATOM 544 N GLY A 94 14.330 6.835 10.738 1.00 55.41 N ATOM 545 CA GLY A 94 15.267 5.746 11.028 1.00 63.33 C ATOM 546 C GLY A 94 14.734 4.683 11.981 1.00 31.31 C ATOM 547 O GLY A 94 15.507 3.825 12.424 1.00 5.54 O ATOM 0 H GLY A 94 13.831 6.724 9.855 1.00 55.41 H new ATOM 0 HA2 GLY A 94 15.546 5.266 10.090 1.00 63.33 H new ATOM 0 HA3 GLY A 94 16.177 6.171 11.452 1.00 63.33 H new ATOM 551 N SER A 95 13.423 4.718 12.296 1.00 5.05 N ATOM 552 CA SER A 95 12.793 3.737 13.202 1.00 31.01 C ATOM 553 C SER A 95 12.485 2.417 12.458 1.00 54.22 C ATOM 554 O SER A 95 11.515 2.329 11.691 1.00 53.24 O ATOM 555 CB SER A 95 11.517 4.333 13.823 1.00 21.43 C ATOM 556 OG SER A 95 11.782 5.587 14.442 1.00 41.44 O ATOM 0 H SER A 95 12.777 5.420 11.934 1.00 5.05 H new ATOM 0 HA SER A 95 13.492 3.507 14.006 1.00 31.01 H new ATOM 0 HB2 SER A 95 10.758 4.459 13.051 1.00 21.43 H new ATOM 0 HB3 SER A 95 11.110 3.640 14.559 1.00 21.43 H new ATOM 0 HG SER A 95 11.686 6.305 13.782 1.00 41.44 H new ATOM 562 N LYS A 96 13.358 1.410 12.684 1.00 54.22 N ATOM 563 CA LYS A 96 13.273 0.077 12.047 1.00 50.41 C ATOM 564 C LYS A 96 12.031 -0.716 12.467 1.00 15.43 C ATOM 565 O LYS A 96 11.578 -1.578 11.708 1.00 11.44 O ATOM 566 CB LYS A 96 14.555 -0.741 12.340 1.00 10.15 C ATOM 567 CG LYS A 96 14.895 -0.916 13.842 1.00 22.44 C ATOM 568 CD LYS A 96 16.204 -1.713 14.064 1.00 41.40 C ATOM 569 CE LYS A 96 17.424 -1.039 13.410 1.00 44.45 C ATOM 570 NZ LYS A 96 18.667 -1.826 13.610 1.00 52.40 N ATOM 0 H LYS A 96 14.150 1.501 13.321 1.00 54.22 H new ATOM 0 HA LYS A 96 13.183 0.251 10.975 1.00 50.41 H new ATOM 0 HB2 LYS A 96 14.448 -1.728 11.890 1.00 10.15 H new ATOM 0 HB3 LYS A 96 15.397 -0.256 11.847 1.00 10.15 H new ATOM 0 HG2 LYS A 96 14.988 0.065 14.307 1.00 22.44 H new ATOM 0 HG3 LYS A 96 14.072 -1.429 14.340 1.00 22.44 H new ATOM 0 HD2 LYS A 96 16.383 -1.821 15.134 1.00 41.40 H new ATOM 0 HD3 LYS A 96 16.087 -2.718 13.658 1.00 41.40 H new ATOM 0 HE2 LYS A 96 17.241 -0.915 12.343 1.00 44.45 H new ATOM 0 HE3 LYS A 96 17.555 -0.041 13.829 1.00 44.45 H new ATOM 0 HZ1 LYS A 96 19.464 -1.338 13.154 1.00 52.40 H new ATOM 0 HZ2 LYS A 96 18.856 -1.923 14.628 1.00 52.40 H new ATOM 0 HZ3 LYS A 96 18.552 -2.770 13.188 1.00 52.40 H new ATOM 584 N SER A 97 11.503 -0.443 13.673 1.00 54.33 N ATOM 585 CA SER A 97 10.283 -1.105 14.177 1.00 1.44 C ATOM 586 C SER A 97 9.083 -0.760 13.270 1.00 44.41 C ATOM 587 O SER A 97 8.302 -1.642 12.885 1.00 71.45 O ATOM 588 CB SER A 97 10.000 -0.679 15.635 1.00 41.11 C ATOM 589 OG SER A 97 11.131 -0.885 16.468 1.00 34.34 O ATOM 0 H SER A 97 11.903 0.235 14.321 1.00 54.33 H new ATOM 0 HA SER A 97 10.436 -2.184 14.160 1.00 1.44 H new ATOM 0 HB2 SER A 97 9.717 0.373 15.659 1.00 41.11 H new ATOM 0 HB3 SER A 97 9.154 -1.246 16.023 1.00 41.11 H new ATOM 0 HG SER A 97 10.919 -0.604 17.383 1.00 34.34 H new ATOM 595 N ALA A 98 8.983 0.540 12.920 1.00 72.02 N ATOM 596 CA ALA A 98 7.970 1.056 11.988 1.00 41.33 C ATOM 597 C ALA A 98 8.205 0.532 10.568 1.00 21.42 C ATOM 598 O ALA A 98 7.259 0.180 9.874 1.00 50.04 O ATOM 599 CB ALA A 98 7.982 2.587 12.004 1.00 41.40 C ATOM 0 H ALA A 98 9.608 1.261 13.280 1.00 72.02 H new ATOM 0 HA ALA A 98 6.991 0.703 12.313 1.00 41.33 H new ATOM 0 HB1 ALA A 98 7.229 2.964 11.312 1.00 41.40 H new ATOM 0 HB2 ALA A 98 7.760 2.942 13.010 1.00 41.40 H new ATOM 0 HB3 ALA A 98 8.966 2.946 11.702 1.00 41.40 H new ATOM 605 N MET A 99 9.491 0.482 10.170 1.00 14.12 N ATOM 606 CA MET A 99 9.931 0.044 8.829 1.00 4.34 C ATOM 607 C MET A 99 9.615 -1.440 8.579 1.00 43.22 C ATOM 608 O MET A 99 9.289 -1.832 7.456 1.00 45.10 O ATOM 609 CB MET A 99 11.448 0.342 8.681 1.00 50.13 C ATOM 610 CG MET A 99 12.080 0.013 7.309 1.00 13.41 C ATOM 611 SD MET A 99 12.496 -1.725 7.103 1.00 32.22 S ATOM 612 CE MET A 99 13.674 -2.006 8.429 1.00 23.02 C ATOM 0 H MET A 99 10.265 0.748 10.779 1.00 14.12 H new ATOM 0 HA MET A 99 9.379 0.600 8.071 1.00 4.34 H new ATOM 0 HB2 MET A 99 11.611 1.400 8.888 1.00 50.13 H new ATOM 0 HB3 MET A 99 11.983 -0.219 9.447 1.00 50.13 H new ATOM 0 HG2 MET A 99 11.388 0.308 6.520 1.00 13.41 H new ATOM 0 HG3 MET A 99 12.982 0.611 7.182 1.00 13.41 H new ATOM 0 HE1 MET A 99 14.334 -2.831 8.161 1.00 23.02 H new ATOM 0 HE2 MET A 99 14.266 -1.105 8.587 1.00 23.02 H new ATOM 0 HE3 MET A 99 13.138 -2.253 9.346 1.00 23.02 H new ATOM 622 N GLU A 100 9.684 -2.246 9.649 1.00 72.32 N ATOM 623 CA GLU A 100 9.379 -3.686 9.603 1.00 51.22 C ATOM 624 C GLU A 100 7.879 -3.894 9.313 1.00 43.23 C ATOM 625 O GLU A 100 7.493 -4.688 8.446 1.00 64.20 O ATOM 626 CB GLU A 100 9.760 -4.346 10.957 1.00 4.51 C ATOM 627 CG GLU A 100 9.657 -5.885 10.983 1.00 53.22 C ATOM 628 CD GLU A 100 10.699 -6.576 10.083 1.00 32.00 C ATOM 629 OE1 GLU A 100 11.824 -6.830 10.553 1.00 20.31 O ATOM 630 OE2 GLU A 100 10.405 -6.852 8.897 1.00 2.51 O ATOM 0 H GLU A 100 9.954 -1.917 10.576 1.00 72.32 H new ATOM 0 HA GLU A 100 9.959 -4.152 8.807 1.00 51.22 H new ATOM 0 HB2 GLU A 100 10.782 -4.061 11.208 1.00 4.51 H new ATOM 0 HB3 GLU A 100 9.115 -3.940 11.736 1.00 4.51 H new ATOM 0 HG2 GLU A 100 9.782 -6.234 12.008 1.00 53.22 H new ATOM 0 HG3 GLU A 100 8.657 -6.182 10.665 1.00 53.22 H new ATOM 637 N ARG A 101 7.057 -3.122 10.045 1.00 22.14 N ATOM 638 CA ARG A 101 5.589 -3.166 9.928 1.00 53.54 C ATOM 639 C ARG A 101 5.113 -2.506 8.621 1.00 64.43 C ATOM 640 O ARG A 101 4.054 -2.858 8.089 1.00 74.02 O ATOM 641 CB ARG A 101 4.909 -2.523 11.167 1.00 11.22 C ATOM 642 CG ARG A 101 5.237 -3.231 12.505 1.00 25.44 C ATOM 643 CD ARG A 101 4.301 -2.827 13.664 1.00 0.25 C ATOM 644 NE ARG A 101 4.340 -1.387 13.956 1.00 45.52 N ATOM 645 CZ ARG A 101 3.888 -0.800 15.082 1.00 45.02 C ATOM 646 NH1 ARG A 101 3.357 -1.513 16.071 1.00 5.30 N ATOM 647 NH2 ARG A 101 3.955 0.516 15.198 1.00 23.44 N ATOM 0 H ARG A 101 7.392 -2.450 10.735 1.00 22.14 H new ATOM 0 HA ARG A 101 5.290 -4.214 9.894 1.00 53.54 H new ATOM 0 HB2 ARG A 101 5.215 -1.479 11.236 1.00 11.22 H new ATOM 0 HB3 ARG A 101 3.829 -2.529 11.020 1.00 11.22 H new ATOM 0 HG2 ARG A 101 5.177 -4.310 12.360 1.00 25.44 H new ATOM 0 HG3 ARG A 101 6.266 -3.004 12.784 1.00 25.44 H new ATOM 0 HD2 ARG A 101 3.279 -3.115 13.416 1.00 0.25 H new ATOM 0 HD3 ARG A 101 4.580 -3.382 14.560 1.00 0.25 H new ATOM 0 HE ARG A 101 4.745 -0.779 13.244 1.00 45.52 H new ATOM 0 HH11 ARG A 101 3.285 -2.527 15.987 1.00 5.30 H new ATOM 0 HH12 ARG A 101 3.022 -1.046 16.914 1.00 5.30 H new ATOM 0 HH21 ARG A 101 4.346 1.076 14.440 1.00 23.44 H new ATOM 0 HH22 ARG A 101 3.616 0.971 16.046 1.00 23.44 H new ATOM 661 N LEU A 102 5.929 -1.572 8.109 1.00 1.34 N ATOM 662 CA LEU A 102 5.681 -0.883 6.835 1.00 25.42 C ATOM 663 C LEU A 102 5.857 -1.873 5.665 1.00 1.33 C ATOM 664 O LEU A 102 4.970 -1.990 4.817 1.00 25.22 O ATOM 665 CB LEU A 102 6.636 0.340 6.708 1.00 61.13 C ATOM 666 CG LEU A 102 6.480 1.245 5.443 1.00 3.21 C ATOM 667 CD1 LEU A 102 5.035 1.725 5.247 1.00 74.21 C ATOM 668 CD2 LEU A 102 7.437 2.448 5.511 1.00 4.02 C ATOM 0 H LEU A 102 6.787 -1.272 8.572 1.00 1.34 H new ATOM 0 HA LEU A 102 4.657 -0.512 6.804 1.00 25.42 H new ATOM 0 HB2 LEU A 102 6.500 0.967 7.589 1.00 61.13 H new ATOM 0 HB3 LEU A 102 7.661 -0.029 6.734 1.00 61.13 H new ATOM 0 HG LEU A 102 6.741 0.632 4.580 1.00 3.21 H new ATOM 0 HD11 LEU A 102 4.977 2.350 4.356 1.00 74.21 H new ATOM 0 HD12 LEU A 102 4.378 0.863 5.129 1.00 74.21 H new ATOM 0 HD13 LEU A 102 4.722 2.303 6.117 1.00 74.21 H new ATOM 0 HD21 LEU A 102 7.311 3.064 4.621 1.00 4.02 H new ATOM 0 HD22 LEU A 102 7.213 3.042 6.397 1.00 4.02 H new ATOM 0 HD23 LEU A 102 8.466 2.092 5.563 1.00 4.02 H new ATOM 680 N LYS A 103 6.988 -2.617 5.664 1.00 13.41 N ATOM 681 CA LYS A 103 7.283 -3.639 4.632 1.00 73.11 C ATOM 682 C LYS A 103 6.237 -4.762 4.630 1.00 71.22 C ATOM 683 O LYS A 103 5.755 -5.160 3.560 1.00 24.13 O ATOM 684 CB LYS A 103 8.700 -4.244 4.818 1.00 31.55 C ATOM 685 CG LYS A 103 9.861 -3.255 4.604 1.00 34.34 C ATOM 686 CD LYS A 103 11.263 -3.920 4.647 1.00 21.10 C ATOM 687 CE LYS A 103 11.641 -4.516 6.025 1.00 60.20 C ATOM 688 NZ LYS A 103 11.013 -5.831 6.310 1.00 71.13 N ATOM 0 H LYS A 103 7.716 -2.527 6.372 1.00 13.41 H new ATOM 0 HA LYS A 103 7.245 -3.129 3.670 1.00 73.11 H new ATOM 0 HB2 LYS A 103 8.774 -4.656 5.824 1.00 31.55 H new ATOM 0 HB3 LYS A 103 8.818 -5.076 4.124 1.00 31.55 H new ATOM 0 HG2 LYS A 103 9.733 -2.760 3.641 1.00 34.34 H new ATOM 0 HG3 LYS A 103 9.812 -2.480 5.369 1.00 34.34 H new ATOM 0 HD2 LYS A 103 11.300 -4.712 3.899 1.00 21.10 H new ATOM 0 HD3 LYS A 103 12.012 -3.180 4.366 1.00 21.10 H new ATOM 0 HE2 LYS A 103 12.724 -4.624 6.077 1.00 60.20 H new ATOM 0 HE3 LYS A 103 11.353 -3.811 6.805 1.00 60.20 H new ATOM 0 HZ1 LYS A 103 10.537 -5.795 7.234 1.00 71.13 H new ATOM 0 HZ2 LYS A 103 10.316 -6.051 5.570 1.00 71.13 H new ATOM 0 HZ3 LYS A 103 11.745 -6.569 6.326 1.00 71.13 H new ATOM 702 N ARG A 104 5.878 -5.245 5.840 1.00 73.31 N ATOM 703 CA ARG A 104 4.869 -6.313 6.005 1.00 13.41 C ATOM 704 C ARG A 104 3.491 -5.840 5.513 1.00 14.22 C ATOM 705 O ARG A 104 2.689 -6.647 5.010 1.00 62.11 O ATOM 706 CB ARG A 104 4.787 -6.786 7.481 1.00 3.33 C ATOM 707 CG ARG A 104 3.839 -7.991 7.695 1.00 54.34 C ATOM 708 CD ARG A 104 3.828 -8.516 9.138 1.00 52.52 C ATOM 709 NE ARG A 104 2.920 -9.664 9.287 1.00 33.22 N ATOM 710 CZ ARG A 104 3.045 -10.660 10.181 1.00 15.00 C ATOM 711 NH1 ARG A 104 4.053 -10.686 11.048 1.00 51.12 N ATOM 712 NH2 ARG A 104 2.148 -11.631 10.197 1.00 14.40 N ATOM 0 H ARG A 104 6.274 -4.910 6.719 1.00 73.31 H new ATOM 0 HA ARG A 104 5.181 -7.162 5.397 1.00 13.41 H new ATOM 0 HB2 ARG A 104 5.786 -7.055 7.823 1.00 3.33 H new ATOM 0 HB3 ARG A 104 4.451 -5.955 8.102 1.00 3.33 H new ATOM 0 HG2 ARG A 104 2.826 -7.700 7.415 1.00 54.34 H new ATOM 0 HG3 ARG A 104 4.135 -8.799 7.026 1.00 54.34 H new ATOM 0 HD2 ARG A 104 4.837 -8.809 9.427 1.00 52.52 H new ATOM 0 HD3 ARG A 104 3.521 -7.718 9.814 1.00 52.52 H new ATOM 0 HE ARG A 104 2.122 -9.708 8.653 1.00 33.22 H new ATOM 0 HH11 ARG A 104 4.750 -9.941 11.043 1.00 51.12 H new ATOM 0 HH12 ARG A 104 4.130 -11.451 11.718 1.00 51.12 H new ATOM 0 HH21 ARG A 104 1.372 -11.619 9.536 1.00 14.40 H new ATOM 0 HH22 ARG A 104 2.232 -12.392 10.871 1.00 14.40 H new ATOM 726 N GLY A 105 3.253 -4.516 5.643 1.00 73.42 N ATOM 727 CA GLY A 105 2.074 -3.872 5.084 1.00 23.43 C ATOM 728 C GLY A 105 1.945 -4.132 3.591 1.00 35.12 C ATOM 729 O GLY A 105 0.934 -4.655 3.146 1.00 65.40 O ATOM 0 H GLY A 105 3.877 -3.879 6.138 1.00 73.42 H new ATOM 0 HA2 GLY A 105 1.183 -4.237 5.595 1.00 23.43 H new ATOM 0 HA3 GLY A 105 2.127 -2.798 5.263 1.00 23.43 H new ATOM 733 N ILE A 106 3.024 -3.839 2.839 1.00 11.23 N ATOM 734 CA ILE A 106 3.076 -4.035 1.371 1.00 75.35 C ATOM 735 C ILE A 106 2.966 -5.533 0.986 1.00 31.22 C ATOM 736 O ILE A 106 2.346 -5.869 -0.028 1.00 73.53 O ATOM 737 CB ILE A 106 4.382 -3.378 0.747 1.00 1.42 C ATOM 738 CG1 ILE A 106 4.232 -1.824 0.634 1.00 2.24 C ATOM 739 CG2 ILE A 106 4.758 -3.971 -0.642 1.00 53.03 C ATOM 740 CD1 ILE A 106 4.194 -1.050 1.932 1.00 31.32 C ATOM 0 H ILE A 106 3.886 -3.459 3.230 1.00 11.23 H new ATOM 0 HA ILE A 106 2.210 -3.526 0.948 1.00 75.35 H new ATOM 0 HB ILE A 106 5.194 -3.616 1.434 1.00 1.42 H new ATOM 0 HG12 ILE A 106 5.060 -1.445 0.036 1.00 2.24 H new ATOM 0 HG13 ILE A 106 3.316 -1.610 0.083 1.00 2.24 H new ATOM 0 HG21 ILE A 106 5.658 -3.482 -1.015 1.00 53.03 H new ATOM 0 HG22 ILE A 106 4.941 -5.041 -0.543 1.00 53.03 H new ATOM 0 HG23 ILE A 106 3.939 -3.806 -1.342 1.00 53.03 H new ATOM 0 HD11 ILE A 106 4.088 0.014 1.718 1.00 31.32 H new ATOM 0 HD12 ILE A 106 3.348 -1.386 2.531 1.00 31.32 H new ATOM 0 HD13 ILE A 106 5.119 -1.219 2.483 1.00 31.32 H new ATOM 752 N ILE A 107 3.568 -6.417 1.797 1.00 13.01 N ATOM 753 CA ILE A 107 3.518 -7.879 1.569 1.00 22.44 C ATOM 754 C ILE A 107 2.056 -8.380 1.564 1.00 2.31 C ATOM 755 O ILE A 107 1.593 -8.977 0.580 1.00 24.13 O ATOM 756 CB ILE A 107 4.373 -8.647 2.649 1.00 45.13 C ATOM 757 CG1 ILE A 107 5.887 -8.285 2.500 1.00 73.44 C ATOM 758 CG2 ILE A 107 4.150 -10.181 2.574 1.00 72.01 C ATOM 759 CD1 ILE A 107 6.799 -8.921 3.532 1.00 71.43 C ATOM 0 H ILE A 107 4.100 -6.147 2.624 1.00 13.01 H new ATOM 0 HA ILE A 107 3.951 -8.086 0.590 1.00 22.44 H new ATOM 0 HB ILE A 107 4.037 -8.326 3.635 1.00 45.13 H new ATOM 0 HG12 ILE A 107 6.221 -8.585 1.507 1.00 73.44 H new ATOM 0 HG13 ILE A 107 5.994 -7.202 2.559 1.00 73.44 H new ATOM 0 HG21 ILE A 107 4.756 -10.674 3.334 1.00 72.01 H new ATOM 0 HG22 ILE A 107 3.097 -10.405 2.748 1.00 72.01 H new ATOM 0 HG23 ILE A 107 4.439 -10.543 1.587 1.00 72.01 H new ATOM 0 HD11 ILE A 107 7.828 -8.612 3.348 1.00 71.43 H new ATOM 0 HD12 ILE A 107 6.497 -8.602 4.530 1.00 71.43 H new ATOM 0 HD13 ILE A 107 6.728 -10.006 3.461 1.00 71.43 H new ATOM 771 N HIS A 108 1.348 -8.097 2.665 1.00 51.24 N ATOM 772 CA HIS A 108 -0.062 -8.487 2.828 1.00 64.12 C ATOM 773 C HIS A 108 -0.970 -7.753 1.826 1.00 74.50 C ATOM 774 O HIS A 108 -1.899 -8.346 1.283 1.00 32.11 O ATOM 775 CB HIS A 108 -0.550 -8.225 4.269 1.00 41.02 C ATOM 776 CG HIS A 108 -1.871 -8.884 4.593 1.00 55.43 C ATOM 777 ND1 HIS A 108 -2.926 -8.239 5.198 1.00 33.33 N ATOM 778 CD2 HIS A 108 -2.297 -10.151 4.371 1.00 63.15 C ATOM 779 CE1 HIS A 108 -3.922 -9.087 5.352 1.00 21.15 C ATOM 780 NE2 HIS A 108 -3.571 -10.247 4.853 1.00 35.43 N ATOM 0 H HIS A 108 1.732 -7.594 3.465 1.00 51.24 H new ATOM 0 HA HIS A 108 -0.123 -9.557 2.627 1.00 64.12 H new ATOM 0 HB2 HIS A 108 0.205 -8.582 4.969 1.00 41.02 H new ATOM 0 HB3 HIS A 108 -0.643 -7.150 4.422 1.00 41.02 H new ATOM 0 HD2 HIS A 108 -1.732 -10.941 3.899 1.00 63.15 H new ATOM 0 HE1 HIS A 108 -4.872 -8.863 5.814 1.00 21.15 H new ATOM 0 HE2 HIS A 108 -4.154 -11.084 4.829 1.00 35.43 H new ATOM 789 N ALA A 109 -0.660 -6.471 1.566 1.00 70.43 N ATOM 790 CA ALA A 109 -1.491 -5.598 0.721 1.00 44.42 C ATOM 791 C ALA A 109 -1.477 -6.066 -0.737 1.00 25.42 C ATOM 792 O ALA A 109 -2.522 -6.102 -1.392 1.00 41.33 O ATOM 793 CB ALA A 109 -1.023 -4.139 0.829 1.00 60.22 C ATOM 0 H ALA A 109 0.173 -6.012 1.935 1.00 70.43 H new ATOM 0 HA ALA A 109 -2.518 -5.658 1.081 1.00 44.42 H new ATOM 0 HB1 ALA A 109 -1.649 -3.508 0.198 1.00 60.22 H new ATOM 0 HB2 ALA A 109 -1.101 -3.807 1.864 1.00 60.22 H new ATOM 0 HB3 ALA A 109 0.014 -4.064 0.502 1.00 60.22 H new ATOM 799 N ARG A 110 -0.286 -6.465 -1.214 1.00 42.10 N ATOM 800 CA ARG A 110 -0.096 -6.945 -2.595 1.00 71.01 C ATOM 801 C ARG A 110 -0.817 -8.285 -2.778 1.00 10.23 C ATOM 802 O ARG A 110 -1.355 -8.561 -3.845 1.00 15.35 O ATOM 803 CB ARG A 110 1.425 -7.061 -2.948 1.00 44.33 C ATOM 804 CG ARG A 110 2.083 -8.433 -2.661 1.00 61.41 C ATOM 805 CD ARG A 110 3.600 -8.428 -2.848 1.00 33.45 C ATOM 806 NE ARG A 110 4.285 -7.625 -1.821 1.00 13.24 N ATOM 807 CZ ARG A 110 5.610 -7.589 -1.632 1.00 61.22 C ATOM 808 NH1 ARG A 110 6.437 -8.284 -2.408 1.00 2.35 N ATOM 809 NH2 ARG A 110 6.106 -6.890 -0.625 1.00 72.13 N ATOM 0 H ARG A 110 0.569 -6.464 -0.657 1.00 42.10 H new ATOM 0 HA ARG A 110 -0.529 -6.220 -3.284 1.00 71.01 H new ATOM 0 HB2 ARG A 110 1.551 -6.834 -4.007 1.00 44.33 H new ATOM 0 HB3 ARG A 110 1.967 -6.296 -2.391 1.00 44.33 H new ATOM 0 HG2 ARG A 110 1.851 -8.732 -1.639 1.00 61.41 H new ATOM 0 HG3 ARG A 110 1.645 -9.183 -3.320 1.00 61.41 H new ATOM 0 HD2 ARG A 110 3.972 -9.452 -2.814 1.00 33.45 H new ATOM 0 HD3 ARG A 110 3.841 -8.034 -3.835 1.00 33.45 H new ATOM 0 HE ARG A 110 3.706 -7.053 -1.207 1.00 13.24 H new ATOM 0 HH11 ARG A 110 6.065 -8.858 -3.164 1.00 2.35 H new ATOM 0 HH12 ARG A 110 7.443 -8.242 -2.247 1.00 2.35 H new ATOM 0 HH21 ARG A 110 5.480 -6.383 0.001 1.00 72.13 H new ATOM 0 HH22 ARG A 110 7.114 -6.858 -0.474 1.00 72.13 H new ATOM 823 N ALA A 111 -0.844 -9.090 -1.690 1.00 13.41 N ATOM 824 CA ALA A 111 -1.474 -10.413 -1.678 1.00 23.24 C ATOM 825 C ALA A 111 -2.999 -10.265 -1.791 1.00 51.34 C ATOM 826 O ALA A 111 -3.643 -10.988 -2.543 1.00 43.33 O ATOM 827 CB ALA A 111 -1.072 -11.177 -0.412 1.00 63.31 C ATOM 0 H ALA A 111 -0.425 -8.831 -0.797 1.00 13.41 H new ATOM 0 HA ALA A 111 -1.128 -10.990 -2.536 1.00 23.24 H new ATOM 0 HB1 ALA A 111 -1.546 -12.159 -0.414 1.00 63.31 H new ATOM 0 HB2 ALA A 111 0.011 -11.297 -0.388 1.00 63.31 H new ATOM 0 HB3 ALA A 111 -1.395 -10.620 0.467 1.00 63.31 H new ATOM 833 N LEU A 112 -3.535 -9.259 -1.080 1.00 33.05 N ATOM 834 CA LEU A 112 -4.974 -8.939 -1.077 1.00 0.42 C ATOM 835 C LEU A 112 -5.470 -8.549 -2.487 1.00 23.31 C ATOM 836 O LEU A 112 -6.577 -8.918 -2.876 1.00 51.34 O ATOM 837 CB LEU A 112 -5.273 -7.814 -0.046 1.00 43.24 C ATOM 838 CG LEU A 112 -5.097 -8.221 1.458 1.00 22.32 C ATOM 839 CD1 LEU A 112 -5.123 -6.991 2.387 1.00 73.31 C ATOM 840 CD2 LEU A 112 -6.162 -9.263 1.884 1.00 0.21 C ATOM 0 H LEU A 112 -2.980 -8.641 -0.488 1.00 33.05 H new ATOM 0 HA LEU A 112 -5.520 -9.834 -0.780 1.00 0.42 H new ATOM 0 HB2 LEU A 112 -4.618 -6.968 -0.256 1.00 43.24 H new ATOM 0 HB3 LEU A 112 -6.296 -7.470 -0.195 1.00 43.24 H new ATOM 0 HG LEU A 112 -4.115 -8.684 1.556 1.00 22.32 H new ATOM 0 HD11 LEU A 112 -4.998 -7.313 3.421 1.00 73.31 H new ATOM 0 HD12 LEU A 112 -4.312 -6.314 2.117 1.00 73.31 H new ATOM 0 HD13 LEU A 112 -6.077 -6.475 2.281 1.00 73.31 H new ATOM 0 HD21 LEU A 112 -6.015 -9.526 2.931 1.00 0.21 H new ATOM 0 HD22 LEU A 112 -7.158 -8.840 1.752 1.00 0.21 H new ATOM 0 HD23 LEU A 112 -6.063 -10.157 1.268 1.00 0.21 H new ATOM 852 N VAL A 113 -4.634 -7.829 -3.258 1.00 74.33 N ATOM 853 CA VAL A 113 -5.002 -7.403 -4.624 1.00 13.21 C ATOM 854 C VAL A 113 -4.844 -8.572 -5.623 1.00 31.12 C ATOM 855 O VAL A 113 -5.756 -8.835 -6.411 1.00 12.32 O ATOM 856 CB VAL A 113 -4.159 -6.171 -5.133 1.00 12.14 C ATOM 857 CG1 VAL A 113 -4.767 -5.586 -6.436 1.00 21.22 C ATOM 858 CG2 VAL A 113 -4.027 -5.083 -4.048 1.00 63.42 C ATOM 0 H VAL A 113 -3.705 -7.531 -2.962 1.00 74.33 H new ATOM 0 HA VAL A 113 -6.046 -7.093 -4.572 1.00 13.21 H new ATOM 0 HB VAL A 113 -3.155 -6.531 -5.356 1.00 12.14 H new ATOM 0 HG11 VAL A 113 -4.169 -4.738 -6.768 1.00 21.22 H new ATOM 0 HG12 VAL A 113 -4.772 -6.352 -7.211 1.00 21.22 H new ATOM 0 HG13 VAL A 113 -5.788 -5.257 -6.245 1.00 21.22 H new ATOM 0 HG21 VAL A 113 -3.440 -4.251 -4.437 1.00 63.42 H new ATOM 0 HG22 VAL A 113 -5.018 -4.727 -3.767 1.00 63.42 H new ATOM 0 HG23 VAL A 113 -3.530 -5.501 -3.173 1.00 63.42 H new ATOM 868 N ARG A 114 -3.690 -9.282 -5.564 1.00 34.24 N ATOM 869 CA ARG A 114 -3.328 -10.310 -6.576 1.00 72.13 C ATOM 870 C ARG A 114 -4.238 -11.552 -6.508 1.00 72.32 C ATOM 871 O ARG A 114 -4.509 -12.177 -7.538 1.00 25.02 O ATOM 872 CB ARG A 114 -1.838 -10.729 -6.495 1.00 45.20 C ATOM 873 CG ARG A 114 -1.422 -11.413 -5.186 1.00 53.52 C ATOM 874 CD ARG A 114 0.054 -11.816 -5.177 1.00 24.41 C ATOM 875 NE ARG A 114 0.958 -10.690 -5.491 1.00 24.41 N ATOM 876 CZ ARG A 114 2.224 -10.829 -5.921 1.00 53.22 C ATOM 877 NH1 ARG A 114 2.759 -12.032 -6.087 1.00 74.35 N ATOM 878 NH2 ARG A 114 2.950 -9.766 -6.198 1.00 33.51 N ATOM 0 H ARG A 114 -2.994 -9.163 -4.828 1.00 34.24 H new ATOM 0 HA ARG A 114 -3.487 -9.831 -7.542 1.00 72.13 H new ATOM 0 HB2 ARG A 114 -1.621 -11.403 -7.323 1.00 45.20 H new ATOM 0 HB3 ARG A 114 -1.220 -9.842 -6.635 1.00 45.20 H new ATOM 0 HG2 ARG A 114 -1.616 -10.740 -4.351 1.00 53.52 H new ATOM 0 HG3 ARG A 114 -2.038 -12.299 -5.031 1.00 53.52 H new ATOM 0 HD2 ARG A 114 0.310 -12.219 -4.197 1.00 24.41 H new ATOM 0 HD3 ARG A 114 0.212 -12.615 -5.901 1.00 24.41 H new ATOM 0 HE ARG A 114 0.597 -9.743 -5.374 1.00 24.41 H new ATOM 0 HH11 ARG A 114 2.208 -12.867 -5.888 1.00 74.35 H new ATOM 0 HH12 ARG A 114 3.721 -12.122 -6.414 1.00 74.35 H new ATOM 0 HH21 ARG A 114 2.552 -8.833 -6.086 1.00 33.51 H new ATOM 0 HH22 ARG A 114 3.910 -9.875 -6.524 1.00 33.51 H new ATOM 892 N GLU A 115 -4.678 -11.914 -5.296 1.00 73.42 N ATOM 893 CA GLU A 115 -5.656 -12.999 -5.108 1.00 40.13 C ATOM 894 C GLU A 115 -7.053 -12.570 -5.580 1.00 61.43 C ATOM 895 O GLU A 115 -7.811 -13.381 -6.122 1.00 0.41 O ATOM 896 CB GLU A 115 -5.690 -13.462 -3.630 1.00 51.14 C ATOM 897 CG GLU A 115 -4.339 -13.975 -3.077 1.00 33.23 C ATOM 898 CD GLU A 115 -3.638 -14.970 -4.009 1.00 40.30 C ATOM 899 OE1 GLU A 115 -4.076 -16.131 -4.086 1.00 33.34 O ATOM 900 OE2 GLU A 115 -2.653 -14.586 -4.686 1.00 22.13 O ATOM 0 H GLU A 115 -4.373 -11.472 -4.429 1.00 73.42 H new ATOM 0 HA GLU A 115 -5.341 -13.844 -5.720 1.00 40.13 H new ATOM 0 HB2 GLU A 115 -6.027 -12.630 -3.011 1.00 51.14 H new ATOM 0 HB3 GLU A 115 -6.432 -14.255 -3.530 1.00 51.14 H new ATOM 0 HG2 GLU A 115 -3.680 -13.125 -2.903 1.00 33.23 H new ATOM 0 HG3 GLU A 115 -4.507 -14.450 -2.111 1.00 33.23 H new ATOM 907 N CYS A 116 -7.366 -11.277 -5.395 1.00 73.11 N ATOM 908 CA CYS A 116 -8.663 -10.708 -5.800 1.00 73.41 C ATOM 909 C CYS A 116 -8.750 -10.546 -7.328 1.00 71.11 C ATOM 910 O CYS A 116 -9.860 -10.537 -7.874 1.00 45.50 O ATOM 911 CB CYS A 116 -8.904 -9.367 -5.096 1.00 71.53 C ATOM 912 SG CYS A 116 -10.517 -8.626 -5.422 1.00 54.20 S ATOM 0 H CYS A 116 -6.734 -10.602 -4.965 1.00 73.11 H new ATOM 0 HA CYS A 116 -9.445 -11.404 -5.496 1.00 73.41 H new ATOM 0 HB2 CYS A 116 -8.796 -9.511 -4.021 1.00 71.53 H new ATOM 0 HB3 CYS A 116 -8.128 -8.666 -5.403 1.00 71.53 H new ATOM 0 HG CYS A 116 -10.637 -8.391 -6.695 1.00 54.20 H new ATOM 918 N LEU A 117 -7.568 -10.464 -8.015 1.00 42.15 N ATOM 919 CA LEU A 117 -7.487 -10.410 -9.499 1.00 1.20 C ATOM 920 C LEU A 117 -8.292 -11.550 -10.147 1.00 61.15 C ATOM 921 O LEU A 117 -8.852 -11.361 -11.211 1.00 30.33 O ATOM 922 CB LEU A 117 -6.023 -10.511 -10.023 1.00 52.33 C ATOM 923 CG LEU A 117 -5.016 -9.390 -9.624 1.00 45.03 C ATOM 924 CD1 LEU A 117 -3.632 -9.637 -10.270 1.00 72.45 C ATOM 925 CD2 LEU A 117 -5.538 -7.992 -9.964 1.00 41.14 C ATOM 0 H LEU A 117 -6.658 -10.434 -7.555 1.00 42.15 H new ATOM 0 HA LEU A 117 -7.903 -9.441 -9.776 1.00 1.20 H new ATOM 0 HB2 LEU A 117 -5.613 -11.462 -9.683 1.00 52.33 H new ATOM 0 HB3 LEU A 117 -6.062 -10.551 -11.112 1.00 52.33 H new ATOM 0 HG LEU A 117 -4.904 -9.432 -8.541 1.00 45.03 H new ATOM 0 HD11 LEU A 117 -2.947 -8.842 -9.977 1.00 72.45 H new ATOM 0 HD12 LEU A 117 -3.240 -10.597 -9.934 1.00 72.45 H new ATOM 0 HD13 LEU A 117 -3.734 -9.647 -11.355 1.00 72.45 H new ATOM 0 HD21 LEU A 117 -4.801 -7.246 -9.667 1.00 41.14 H new ATOM 0 HD22 LEU A 117 -5.714 -7.921 -11.037 1.00 41.14 H new ATOM 0 HD23 LEU A 117 -6.471 -7.812 -9.430 1.00 41.14 H new ATOM 937 N ALA A 118 -8.324 -12.714 -9.465 1.00 34.24 N ATOM 938 CA ALA A 118 -8.981 -13.941 -9.951 1.00 72.43 C ATOM 939 C ALA A 118 -10.458 -13.711 -10.320 1.00 74.22 C ATOM 940 O ALA A 118 -10.884 -14.018 -11.438 1.00 11.45 O ATOM 941 CB ALA A 118 -8.845 -15.057 -8.901 1.00 42.43 C ATOM 0 H ALA A 118 -7.888 -12.827 -8.550 1.00 34.24 H new ATOM 0 HA ALA A 118 -8.476 -14.245 -10.868 1.00 72.43 H new ATOM 0 HB1 ALA A 118 -9.332 -15.961 -9.266 1.00 42.43 H new ATOM 0 HB2 ALA A 118 -7.789 -15.261 -8.722 1.00 42.43 H new ATOM 0 HB3 ALA A 118 -9.317 -14.741 -7.971 1.00 42.43 H new ATOM 947 N GLU A 119 -11.224 -13.143 -9.382 1.00 74.41 N ATOM 948 CA GLU A 119 -12.671 -12.910 -9.559 1.00 70.12 C ATOM 949 C GLU A 119 -12.950 -11.584 -10.299 1.00 25.44 C ATOM 950 O GLU A 119 -13.939 -11.474 -11.035 1.00 43.10 O ATOM 951 CB GLU A 119 -13.359 -12.932 -8.175 1.00 0.41 C ATOM 952 CG GLU A 119 -12.898 -11.826 -7.192 1.00 34.12 C ATOM 953 CD GLU A 119 -13.529 -11.944 -5.801 1.00 62.24 C ATOM 954 OE1 GLU A 119 -14.726 -12.260 -5.717 1.00 1.22 O ATOM 955 OE2 GLU A 119 -12.824 -11.742 -4.790 1.00 71.51 O ATOM 0 H GLU A 119 -10.865 -12.831 -8.480 1.00 74.41 H new ATOM 0 HA GLU A 119 -13.082 -13.706 -10.180 1.00 70.12 H new ATOM 0 HB2 GLU A 119 -14.435 -12.841 -8.321 1.00 0.41 H new ATOM 0 HB3 GLU A 119 -13.181 -13.903 -7.714 1.00 0.41 H new ATOM 0 HG2 GLU A 119 -11.813 -11.866 -7.095 1.00 34.12 H new ATOM 0 HG3 GLU A 119 -13.144 -10.851 -7.613 1.00 34.12 H new ATOM 962 N THR A 120 -12.055 -10.594 -10.105 1.00 45.12 N ATOM 963 CA THR A 120 -12.177 -9.255 -10.721 1.00 71.43 C ATOM 964 C THR A 120 -11.919 -9.325 -12.242 1.00 14.01 C ATOM 965 O THR A 120 -12.426 -8.503 -13.017 1.00 54.10 O ATOM 966 CB THR A 120 -11.186 -8.253 -10.043 1.00 41.12 C ATOM 967 OG1 THR A 120 -11.336 -8.329 -8.619 1.00 73.12 O ATOM 968 CG2 THR A 120 -11.433 -6.803 -10.480 1.00 71.34 C ATOM 0 H THR A 120 -11.228 -10.699 -9.518 1.00 45.12 H new ATOM 0 HA THR A 120 -13.195 -8.898 -10.566 1.00 71.43 H new ATOM 0 HB THR A 120 -10.179 -8.534 -10.351 1.00 41.12 H new ATOM 0 HG1 THR A 120 -10.958 -9.173 -8.295 1.00 73.12 H new ATOM 0 HG21 THR A 120 -10.720 -6.146 -9.982 1.00 71.34 H new ATOM 0 HG22 THR A 120 -11.308 -6.722 -11.560 1.00 71.34 H new ATOM 0 HG23 THR A 120 -12.447 -6.509 -10.209 1.00 71.34 H new ATOM 976 N GLU A 121 -11.113 -10.326 -12.626 1.00 4.45 N ATOM 977 CA GLU A 121 -10.792 -10.663 -14.021 1.00 43.15 C ATOM 978 C GLU A 121 -12.062 -10.940 -14.825 1.00 10.43 C ATOM 979 O GLU A 121 -12.211 -10.474 -15.957 1.00 14.34 O ATOM 980 CB GLU A 121 -9.872 -11.905 -14.035 1.00 54.32 C ATOM 981 CG GLU A 121 -9.273 -12.251 -15.393 1.00 51.31 C ATOM 982 CD GLU A 121 -8.230 -13.363 -15.286 1.00 71.42 C ATOM 983 OE1 GLU A 121 -7.079 -13.066 -14.918 1.00 55.42 O ATOM 984 OE2 GLU A 121 -8.554 -14.530 -15.566 1.00 72.45 O ATOM 0 H GLU A 121 -10.653 -10.941 -11.955 1.00 4.45 H new ATOM 0 HA GLU A 121 -10.284 -9.817 -14.484 1.00 43.15 H new ATOM 0 HB2 GLU A 121 -9.059 -11.744 -13.327 1.00 54.32 H new ATOM 0 HB3 GLU A 121 -10.441 -12.763 -13.677 1.00 54.32 H new ATOM 0 HG2 GLU A 121 -10.067 -12.561 -16.072 1.00 51.31 H new ATOM 0 HG3 GLU A 121 -8.814 -11.362 -15.825 1.00 51.31 H new ATOM 991 N ARG A 122 -12.978 -11.685 -14.194 1.00 65.42 N ATOM 992 CA ARG A 122 -14.267 -12.038 -14.789 1.00 74.14 C ATOM 993 C ARG A 122 -15.169 -10.794 -14.870 1.00 12.02 C ATOM 994 O ARG A 122 -15.858 -10.589 -15.869 1.00 31.24 O ATOM 995 CB ARG A 122 -14.955 -13.133 -13.944 1.00 32.32 C ATOM 996 CG ARG A 122 -16.223 -13.737 -14.598 1.00 75.42 C ATOM 997 CD ARG A 122 -17.057 -14.565 -13.609 1.00 32.30 C ATOM 998 NE ARG A 122 -16.263 -15.606 -12.921 1.00 21.13 N ATOM 999 CZ ARG A 122 -16.133 -15.727 -11.587 1.00 12.51 C ATOM 1000 NH1 ARG A 122 -16.733 -14.875 -10.765 1.00 64.20 N ATOM 1001 NH2 ARG A 122 -15.390 -16.703 -11.086 1.00 5.31 N ATOM 0 H ARG A 122 -12.843 -12.059 -13.255 1.00 65.42 H new ATOM 0 HA ARG A 122 -14.099 -12.419 -15.796 1.00 74.14 H new ATOM 0 HB2 ARG A 122 -14.240 -13.934 -13.756 1.00 32.32 H new ATOM 0 HB3 ARG A 122 -15.225 -12.713 -12.975 1.00 32.32 H new ATOM 0 HG2 ARG A 122 -16.838 -12.933 -15.002 1.00 75.42 H new ATOM 0 HG3 ARG A 122 -15.930 -14.367 -15.438 1.00 75.42 H new ATOM 0 HD2 ARG A 122 -17.497 -13.900 -12.866 1.00 32.30 H new ATOM 0 HD3 ARG A 122 -17.882 -15.037 -14.143 1.00 32.30 H new ATOM 0 HE ARG A 122 -15.775 -16.286 -13.504 1.00 21.13 H new ATOM 0 HH11 ARG A 122 -17.301 -14.117 -11.142 1.00 64.20 H new ATOM 0 HH12 ARG A 122 -16.626 -14.979 -9.756 1.00 64.20 H new ATOM 0 HH21 ARG A 122 -14.920 -17.358 -11.711 1.00 5.31 H new ATOM 0 HH22 ARG A 122 -15.288 -16.799 -10.076 1.00 5.31 H new ATOM 1015 N ASN A 123 -15.138 -9.968 -13.804 1.00 0.44 N ATOM 1016 CA ASN A 123 -15.964 -8.755 -13.696 1.00 33.05 C ATOM 1017 C ASN A 123 -15.417 -7.657 -14.637 1.00 0.42 C ATOM 1018 O ASN A 123 -14.591 -6.816 -14.243 1.00 42.15 O ATOM 1019 CB ASN A 123 -16.020 -8.265 -12.220 1.00 11.23 C ATOM 1020 CG ASN A 123 -17.031 -7.139 -12.003 1.00 12.42 C ATOM 1021 OD1 ASN A 123 -18.066 -7.083 -12.666 1.00 31.41 O ATOM 1022 ND2 ASN A 123 -16.743 -6.231 -11.087 1.00 41.35 N ATOM 0 H ASN A 123 -14.538 -10.126 -12.995 1.00 0.44 H new ATOM 0 HA ASN A 123 -16.983 -8.988 -14.005 1.00 33.05 H new ATOM 0 HB2 ASN A 123 -16.275 -9.105 -11.574 1.00 11.23 H new ATOM 0 HB3 ASN A 123 -15.031 -7.921 -11.919 1.00 11.23 H new ATOM 0 HD21 ASN A 123 -17.386 -5.458 -10.915 1.00 41.35 H new ATOM 0 HD22 ASN A 123 -15.877 -6.303 -10.552 1.00 41.35 H new ATOM 1029 N ALA A 124 -15.850 -7.730 -15.905 1.00 13.40 N ATOM 1030 CA ALA A 124 -15.436 -6.808 -16.965 1.00 13.45 C ATOM 1031 C ALA A 124 -16.223 -5.491 -16.862 1.00 2.13 C ATOM 1032 O ALA A 124 -17.397 -5.421 -17.249 1.00 22.13 O ATOM 1033 CB ALA A 124 -15.618 -7.471 -18.342 1.00 12.50 C ATOM 0 H ALA A 124 -16.507 -8.442 -16.224 1.00 13.40 H new ATOM 0 HA ALA A 124 -14.379 -6.572 -16.845 1.00 13.45 H new ATOM 0 HB1 ALA A 124 -15.308 -6.778 -19.124 1.00 12.50 H new ATOM 0 HB2 ALA A 124 -15.009 -8.373 -18.395 1.00 12.50 H new ATOM 0 HB3 ALA A 124 -16.667 -7.732 -18.484 1.00 12.50 H new ATOM 1039 N ARG A 125 -15.578 -4.470 -16.281 1.00 13.11 N ATOM 1040 CA ARG A 125 -16.146 -3.118 -16.145 1.00 43.12 C ATOM 1041 C ARG A 125 -15.433 -2.155 -17.109 1.00 11.05 C ATOM 1042 O ARG A 125 -16.077 -1.401 -17.842 1.00 1.51 O ATOM 1043 CB ARG A 125 -16.008 -2.625 -14.683 1.00 32.43 C ATOM 1044 CG ARG A 125 -16.621 -3.572 -13.625 1.00 74.02 C ATOM 1045 CD ARG A 125 -16.399 -3.064 -12.193 1.00 1.32 C ATOM 1046 NE ARG A 125 -17.038 -1.756 -11.966 1.00 15.11 N ATOM 1047 CZ ARG A 125 -16.558 -0.776 -11.189 1.00 50.21 C ATOM 1048 NH1 ARG A 125 -15.413 -0.908 -10.533 1.00 23.21 N ATOM 1049 NH2 ARG A 125 -17.249 0.344 -11.052 1.00 33.25 N ATOM 0 H ARG A 125 -14.641 -4.558 -15.889 1.00 13.11 H new ATOM 0 HA ARG A 125 -17.206 -3.148 -16.399 1.00 43.12 H new ATOM 0 HB2 ARG A 125 -14.950 -2.486 -14.458 1.00 32.43 H new ATOM 0 HB3 ARG A 125 -16.483 -1.648 -14.596 1.00 32.43 H new ATOM 0 HG2 ARG A 125 -17.690 -3.677 -13.810 1.00 74.02 H new ATOM 0 HG3 ARG A 125 -16.181 -4.564 -13.729 1.00 74.02 H new ATOM 0 HD2 ARG A 125 -16.798 -3.790 -11.485 1.00 1.32 H new ATOM 0 HD3 ARG A 125 -15.329 -2.984 -11.999 1.00 1.32 H new ATOM 0 HE ARG A 125 -17.923 -1.581 -12.442 1.00 15.11 H new ATOM 0 HH11 ARG A 125 -14.876 -1.771 -10.614 1.00 23.21 H new ATOM 0 HH12 ARG A 125 -15.070 -0.146 -9.948 1.00 23.21 H new ATOM 0 HH21 ARG A 125 -18.140 0.456 -11.536 1.00 33.25 H new ATOM 0 HH22 ARG A 125 -16.891 1.095 -10.462 1.00 33.25 H new ATOM 1063 N THR A 126 -14.088 -2.186 -17.081 1.00 20.54 N ATOM 1064 CA THR A 126 -13.241 -1.350 -17.947 1.00 62.31 C ATOM 1065 C THR A 126 -12.574 -2.235 -19.025 1.00 13.23 C ATOM 1066 O THR A 126 -12.939 -2.132 -20.210 1.00 31.22 O ATOM 1067 CB THR A 126 -12.154 -0.598 -17.110 1.00 41.00 C ATOM 1068 OG1 THR A 126 -12.774 0.088 -16.015 1.00 14.22 O ATOM 1069 CG2 THR A 126 -11.353 0.414 -17.959 1.00 71.35 C ATOM 1070 OXT THR A 126 -11.703 -3.059 -18.671 1.00 37.79 O ATOM 0 H THR A 126 -13.558 -2.793 -16.455 1.00 20.54 H new ATOM 0 HA THR A 126 -13.867 -0.600 -18.431 1.00 62.31 H new ATOM 0 HB THR A 126 -11.454 -1.348 -16.742 1.00 41.00 H new ATOM 0 HG1 THR A 126 -12.090 0.556 -15.493 1.00 14.22 H new ATOM 0 HG21 THR A 126 -10.612 0.909 -17.332 1.00 71.35 H new ATOM 0 HG22 THR A 126 -10.849 -0.110 -18.771 1.00 71.35 H new ATOM 0 HG23 THR A 126 -12.032 1.158 -18.374 1.00 71.35 H new TER 1078 THR A 126 ATOM 1079 N SER B 58 8.145 -11.925 6.181 1.00 45.54 N ATOM 1080 CA SER B 58 8.162 -12.993 5.170 1.00 33.52 C ATOM 1081 C SER B 58 6.864 -12.946 4.346 1.00 73.54 C ATOM 1082 O SER B 58 5.919 -12.228 4.707 1.00 41.03 O ATOM 1083 CB SER B 58 8.342 -14.362 5.866 1.00 32.03 C ATOM 1084 OG SER B 58 8.465 -15.418 4.925 1.00 32.23 O ATOM 0 HA SER B 58 9.000 -12.847 4.488 1.00 33.52 H new ATOM 0 HB2 SER B 58 9.229 -14.334 6.500 1.00 32.03 H new ATOM 0 HB3 SER B 58 7.490 -14.553 6.518 1.00 32.03 H new ATOM 0 HG SER B 58 8.579 -16.268 5.400 1.00 32.23 H new ATOM 1092 N HIS B 59 6.823 -13.717 3.241 1.00 3.21 N ATOM 1093 CA HIS B 59 5.646 -13.816 2.356 1.00 63.33 C ATOM 1094 C HIS B 59 5.290 -15.294 2.110 1.00 44.21 C ATOM 1095 O HIS B 59 5.842 -15.950 1.224 1.00 23.44 O ATOM 1096 CB HIS B 59 5.871 -13.019 1.026 1.00 12.10 C ATOM 1097 CG HIS B 59 7.182 -13.285 0.320 1.00 1.31 C ATOM 1098 ND1 HIS B 59 8.314 -12.526 0.528 1.00 74.32 N ATOM 1099 CD2 HIS B 59 7.515 -14.176 -0.647 1.00 64.33 C ATOM 1100 CE1 HIS B 59 9.290 -12.968 -0.245 1.00 52.31 C ATOM 1101 NE2 HIS B 59 8.827 -13.961 -0.971 1.00 0.05 N ATOM 0 H HIS B 59 7.609 -14.291 2.936 1.00 3.21 H new ATOM 0 HA HIS B 59 4.791 -13.353 2.849 1.00 63.33 H new ATOM 0 HB2 HIS B 59 5.056 -13.252 0.341 1.00 12.10 H new ATOM 0 HB3 HIS B 59 5.807 -11.953 1.246 1.00 12.10 H new ATOM 0 HD2 HIS B 59 6.863 -14.920 -1.082 1.00 64.33 H new ATOM 0 HE1 HIS B 59 10.297 -12.579 -0.275 1.00 52.31 H new ATOM 0 HE2 HIS B 59 9.360 -14.487 -1.664 1.00 0.05 H new ATOM 1110 N MET B 60 4.398 -15.828 2.957 1.00 75.13 N ATOM 1111 CA MET B 60 3.839 -17.188 2.791 1.00 2.13 C ATOM 1112 C MET B 60 2.895 -17.213 1.578 1.00 11.53 C ATOM 1113 O MET B 60 2.705 -18.257 0.950 1.00 1.23 O ATOM 1114 CB MET B 60 3.094 -17.648 4.074 1.00 44.40 C ATOM 1115 CG MET B 60 3.988 -17.758 5.316 1.00 33.22 C ATOM 1116 SD MET B 60 4.667 -16.164 5.839 1.00 60.33 S ATOM 1117 CE MET B 60 5.728 -16.651 7.197 1.00 15.41 C ATOM 0 H MET B 60 4.041 -15.335 3.776 1.00 75.13 H new ATOM 0 HA MET B 60 4.660 -17.884 2.620 1.00 2.13 H new ATOM 0 HB2 MET B 60 2.286 -16.946 4.283 1.00 44.40 H new ATOM 0 HB3 MET B 60 2.633 -18.618 3.885 1.00 44.40 H new ATOM 0 HG2 MET B 60 3.412 -18.188 6.135 1.00 33.22 H new ATOM 0 HG3 MET B 60 4.808 -18.446 5.108 1.00 33.22 H new ATOM 0 HE1 MET B 60 5.971 -15.777 7.801 1.00 15.41 H new ATOM 0 HE2 MET B 60 5.213 -17.387 7.815 1.00 15.41 H new ATOM 0 HE3 MET B 60 6.646 -17.086 6.803 1.00 15.41 H new ATOM 1127 N ALA B 61 2.299 -16.040 1.285 1.00 62.33 N ATOM 1128 CA ALA B 61 1.547 -15.792 0.051 1.00 41.23 C ATOM 1129 C ALA B 61 2.510 -15.826 -1.150 1.00 71.44 C ATOM 1130 O ALA B 61 3.190 -14.835 -1.444 1.00 33.23 O ATOM 1131 CB ALA B 61 0.822 -14.440 0.147 1.00 44.14 C ATOM 0 H ALA B 61 2.330 -15.233 1.909 1.00 62.33 H new ATOM 0 HA ALA B 61 0.795 -16.569 -0.089 1.00 41.23 H new ATOM 0 HB1 ALA B 61 0.265 -14.260 -0.772 1.00 44.14 H new ATOM 0 HB2 ALA B 61 0.133 -14.456 0.992 1.00 44.14 H new ATOM 0 HB3 ALA B 61 1.553 -13.644 0.290 1.00 44.14 H new ATOM 1137 N MET B 62 2.624 -17.013 -1.776 1.00 70.21 N ATOM 1138 CA MET B 62 3.519 -17.260 -2.922 1.00 4.21 C ATOM 1139 C MET B 62 2.681 -17.591 -4.160 1.00 24.24 C ATOM 1140 O MET B 62 2.228 -18.733 -4.336 1.00 24.15 O ATOM 1141 CB MET B 62 4.514 -18.408 -2.594 1.00 13.02 C ATOM 1142 CG MET B 62 5.360 -18.170 -1.344 1.00 61.33 C ATOM 1143 SD MET B 62 6.392 -19.590 -0.931 1.00 50.40 S ATOM 1144 CE MET B 62 7.058 -19.085 0.651 1.00 61.23 C ATOM 0 H MET B 62 2.091 -17.837 -1.497 1.00 70.21 H new ATOM 0 HA MET B 62 4.104 -16.363 -3.126 1.00 4.21 H new ATOM 0 HB2 MET B 62 3.953 -19.334 -2.468 1.00 13.02 H new ATOM 0 HB3 MET B 62 5.178 -18.551 -3.446 1.00 13.02 H new ATOM 0 HG2 MET B 62 5.994 -17.297 -1.498 1.00 61.33 H new ATOM 0 HG3 MET B 62 4.705 -17.944 -0.503 1.00 61.33 H new ATOM 0 HE1 MET B 62 7.249 -19.966 1.263 1.00 61.23 H new ATOM 0 HE2 MET B 62 7.990 -18.542 0.497 1.00 61.23 H new ATOM 0 HE3 MET B 62 6.341 -18.439 1.158 1.00 61.23 H new ATOM 1154 N LYS B 63 2.442 -16.560 -4.971 1.00 30.20 N ATOM 1155 CA LYS B 63 1.689 -16.625 -6.217 1.00 42.43 C ATOM 1156 C LYS B 63 1.937 -15.326 -6.998 1.00 74.55 C ATOM 1157 O LYS B 63 1.305 -14.305 -6.711 1.00 51.40 O ATOM 1158 CB LYS B 63 0.177 -16.847 -5.934 1.00 13.12 C ATOM 1159 CG LYS B 63 -0.768 -16.643 -7.136 1.00 71.42 C ATOM 1160 CD LYS B 63 -2.207 -17.127 -6.845 1.00 34.23 C ATOM 1161 CE LYS B 63 -3.238 -16.477 -7.773 1.00 0.15 C ATOM 1162 NZ LYS B 63 -3.339 -15.008 -7.544 1.00 32.03 N ATOM 0 H LYS B 63 2.783 -15.621 -4.767 1.00 30.20 H new ATOM 0 HA LYS B 63 2.023 -17.472 -6.816 1.00 42.43 H new ATOM 0 HB2 LYS B 63 0.042 -17.861 -5.558 1.00 13.12 H new ATOM 0 HB3 LYS B 63 -0.128 -16.168 -5.137 1.00 13.12 H new ATOM 0 HG2 LYS B 63 -0.790 -15.586 -7.402 1.00 71.42 H new ATOM 0 HG3 LYS B 63 -0.375 -17.180 -7.999 1.00 71.42 H new ATOM 0 HD2 LYS B 63 -2.253 -18.210 -6.957 1.00 34.23 H new ATOM 0 HD3 LYS B 63 -2.461 -16.902 -5.809 1.00 34.23 H new ATOM 0 HE2 LYS B 63 -2.963 -16.665 -8.811 1.00 0.15 H new ATOM 0 HE3 LYS B 63 -4.213 -16.938 -7.613 1.00 0.15 H new ATOM 0 HZ1 LYS B 63 -4.317 -14.697 -7.712 1.00 32.03 H new ATOM 0 HZ2 LYS B 63 -3.070 -14.790 -6.563 1.00 32.03 H new ATOM 0 HZ3 LYS B 63 -2.700 -14.510 -8.196 1.00 32.03 H new ATOM 1176 N PRO B 64 2.927 -15.319 -7.950 1.00 65.42 N ATOM 1177 CA PRO B 64 3.201 -14.150 -8.826 1.00 75.53 C ATOM 1178 C PRO B 64 1.959 -13.663 -9.616 1.00 63.44 C ATOM 1179 O PRO B 64 1.012 -14.435 -9.819 1.00 61.10 O ATOM 1180 CB PRO B 64 4.294 -14.684 -9.788 1.00 52.11 C ATOM 1181 CG PRO B 64 4.986 -15.760 -9.011 1.00 73.21 C ATOM 1182 CD PRO B 64 3.894 -16.427 -8.210 1.00 65.44 C ATOM 0 HA PRO B 64 3.501 -13.276 -8.248 1.00 75.53 H new ATOM 0 HB2 PRO B 64 3.857 -15.076 -10.706 1.00 52.11 H new ATOM 0 HB3 PRO B 64 4.988 -13.895 -10.077 1.00 52.11 H new ATOM 0 HG2 PRO B 64 5.479 -16.471 -9.674 1.00 73.21 H new ATOM 0 HG3 PRO B 64 5.755 -15.344 -8.360 1.00 73.21 H new ATOM 0 HD2 PRO B 64 3.430 -17.243 -8.765 1.00 65.44 H new ATOM 0 HD3 PRO B 64 4.278 -16.851 -7.282 1.00 65.44 H new ATOM 1190 N PRO B 65 1.929 -12.362 -10.045 1.00 12.21 N ATOM 1191 CA PRO B 65 0.858 -11.830 -10.916 1.00 41.30 C ATOM 1192 C PRO B 65 0.817 -12.559 -12.284 1.00 11.15 C ATOM 1193 O PRO B 65 1.565 -12.224 -13.212 1.00 3.23 O ATOM 1194 CB PRO B 65 1.221 -10.325 -11.069 1.00 71.04 C ATOM 1195 CG PRO B 65 2.128 -10.032 -9.911 1.00 33.20 C ATOM 1196 CD PRO B 65 2.907 -11.300 -9.685 1.00 32.51 C ATOM 0 HA PRO B 65 -0.137 -11.977 -10.497 1.00 41.30 H new ATOM 0 HB2 PRO B 65 1.718 -10.132 -12.020 1.00 71.04 H new ATOM 0 HB3 PRO B 65 0.330 -9.698 -11.042 1.00 71.04 H new ATOM 0 HG2 PRO B 65 2.792 -9.197 -10.133 1.00 33.20 H new ATOM 0 HG3 PRO B 65 1.557 -9.758 -9.024 1.00 33.20 H new ATOM 0 HD2 PRO B 65 3.798 -11.343 -10.311 1.00 32.51 H new ATOM 0 HD3 PRO B 65 3.239 -11.391 -8.651 1.00 32.51 H new ATOM 1204 N GLY B 66 -0.014 -13.607 -12.350 1.00 21.23 N ATOM 1205 CA GLY B 66 -0.219 -14.397 -13.571 1.00 14.32 C ATOM 1206 C GLY B 66 -1.636 -14.279 -14.093 1.00 44.22 C ATOM 1207 O GLY B 66 -2.128 -15.177 -14.781 1.00 32.32 O ATOM 0 H GLY B 66 -0.565 -13.932 -11.555 1.00 21.23 H new ATOM 0 HA2 GLY B 66 0.479 -14.064 -14.339 1.00 14.32 H new ATOM 0 HA3 GLY B 66 0.006 -15.444 -13.367 1.00 14.32 H new ATOM 1211 N ALA B 67 -2.294 -13.161 -13.751 1.00 44.13 N ATOM 1212 CA ALA B 67 -3.644 -12.832 -14.224 1.00 22.15 C ATOM 1213 C ALA B 67 -3.558 -12.124 -15.581 1.00 13.25 C ATOM 1214 O ALA B 67 -2.647 -11.314 -15.788 1.00 52.33 O ATOM 1215 CB ALA B 67 -4.337 -11.926 -13.194 1.00 65.10 C ATOM 0 H ALA B 67 -1.898 -12.454 -13.132 1.00 44.13 H new ATOM 0 HA ALA B 67 -4.225 -13.747 -14.343 1.00 22.15 H new ATOM 0 HB1 ALA B 67 -5.340 -11.680 -13.542 1.00 65.10 H new ATOM 0 HB2 ALA B 67 -4.402 -12.446 -12.238 1.00 65.10 H new ATOM 0 HB3 ALA B 67 -3.761 -11.009 -13.070 1.00 65.10 H new ATOM 1221 N GLN B 68 -4.498 -12.423 -16.500 1.00 43.50 N ATOM 1222 CA GLN B 68 -4.608 -11.704 -17.788 1.00 4.41 C ATOM 1223 C GLN B 68 -5.160 -10.293 -17.534 1.00 34.04 C ATOM 1224 O GLN B 68 -5.818 -10.060 -16.513 1.00 4.21 O ATOM 1225 CB GLN B 68 -5.501 -12.479 -18.805 1.00 62.32 C ATOM 1226 CG GLN B 68 -6.942 -12.737 -18.330 1.00 41.10 C ATOM 1227 CD GLN B 68 -7.840 -13.455 -19.342 1.00 74.50 C ATOM 1228 OE1 GLN B 68 -9.145 -13.270 -19.216 1.00 23.21 O flip ATOM 1229 NE2 GLN B 68 -7.371 -14.191 -20.205 1.00 30.15 N flip ATOM 0 H GLN B 68 -5.194 -13.158 -16.375 1.00 43.50 H new ATOM 0 HA GLN B 68 -3.616 -11.629 -18.232 1.00 4.41 H new ATOM 0 HB2 GLN B 68 -5.536 -11.917 -19.739 1.00 62.32 H new ATOM 0 HB3 GLN B 68 -5.029 -13.436 -19.026 1.00 62.32 H new ATOM 0 HG2 GLN B 68 -6.906 -13.329 -17.415 1.00 41.10 H new ATOM 0 HG3 GLN B 68 -7.400 -11.782 -18.074 1.00 41.10 H new ATOM 0 HE21 GLN B 68 -6.361 -14.313 -20.277 1.00 30.15 H new ATOM 0 HE22 GLN B 68 -7.991 -14.680 -20.850 1.00 30.15 H new ATOM 1238 N GLY B 69 -4.922 -9.374 -18.484 1.00 70.01 N ATOM 1239 CA GLY B 69 -5.219 -7.943 -18.301 1.00 41.23 C ATOM 1240 C GLY B 69 -6.700 -7.559 -18.389 1.00 20.13 C ATOM 1241 O GLY B 69 -7.012 -6.399 -18.667 1.00 35.22 O ATOM 0 H GLY B 69 -4.521 -9.599 -19.394 1.00 70.01 H new ATOM 0 HA2 GLY B 69 -4.839 -7.633 -17.328 1.00 41.23 H new ATOM 0 HA3 GLY B 69 -4.670 -7.377 -19.053 1.00 41.23 H new ATOM 1245 N SER B 70 -7.615 -8.512 -18.106 1.00 72.31 N ATOM 1246 CA SER B 70 -9.068 -8.263 -18.059 1.00 51.51 C ATOM 1247 C SER B 70 -9.449 -7.337 -16.885 1.00 10.23 C ATOM 1248 O SER B 70 -10.512 -6.718 -16.896 1.00 64.04 O ATOM 1249 CB SER B 70 -9.829 -9.595 -17.933 1.00 32.31 C ATOM 1250 OG SER B 70 -9.522 -10.475 -18.993 1.00 63.42 O ATOM 0 H SER B 70 -7.363 -9.479 -17.903 1.00 72.31 H new ATOM 0 HA SER B 70 -9.347 -7.766 -18.988 1.00 51.51 H new ATOM 0 HB2 SER B 70 -9.579 -10.068 -16.983 1.00 32.31 H new ATOM 0 HB3 SER B 70 -10.902 -9.401 -17.920 1.00 32.31 H new ATOM 0 HG SER B 70 -9.459 -11.391 -18.650 1.00 63.42 H new ATOM 1256 N GLN B 71 -8.575 -7.248 -15.870 1.00 23.33 N ATOM 1257 CA GLN B 71 -8.791 -6.386 -14.694 1.00 33.13 C ATOM 1258 C GLN B 71 -7.586 -5.440 -14.501 1.00 33.44 C ATOM 1259 O GLN B 71 -7.359 -4.973 -13.407 1.00 20.01 O ATOM 1260 CB GLN B 71 -9.062 -7.264 -13.421 1.00 61.24 C ATOM 1261 CG GLN B 71 -7.835 -7.920 -12.738 1.00 23.24 C ATOM 1262 CD GLN B 71 -7.019 -8.856 -13.634 1.00 75.12 C ATOM 1263 OE1 GLN B 71 -7.265 -10.147 -13.550 1.00 12.45 O flip ATOM 1264 NE2 GLN B 71 -6.147 -8.412 -14.368 1.00 53.21 N flip ATOM 0 H GLN B 71 -7.699 -7.770 -15.840 1.00 23.33 H new ATOM 0 HA GLN B 71 -9.672 -5.765 -14.855 1.00 33.13 H new ATOM 0 HB2 GLN B 71 -9.567 -6.641 -12.682 1.00 61.24 H new ATOM 0 HB3 GLN B 71 -9.757 -8.056 -13.699 1.00 61.24 H new ATOM 0 HG2 GLN B 71 -7.179 -7.132 -12.369 1.00 23.24 H new ATOM 0 HG3 GLN B 71 -8.179 -8.481 -11.869 1.00 23.24 H new ATOM 0 HE21 GLN B 71 -5.980 -7.407 -14.411 1.00 53.21 H new ATOM 0 HE22 GLN B 71 -5.587 -9.047 -14.937 1.00 53.21 H new ATOM 1273 N SER B 72 -6.861 -5.122 -15.599 1.00 32.02 N ATOM 1274 CA SER B 72 -5.600 -4.323 -15.573 1.00 31.54 C ATOM 1275 C SER B 72 -5.724 -2.987 -14.794 1.00 11.53 C ATOM 1276 O SER B 72 -4.811 -2.607 -14.056 1.00 15.54 O ATOM 1277 CB SER B 72 -5.133 -4.052 -17.017 1.00 23.35 C ATOM 1278 OG SER B 72 -3.908 -3.333 -17.049 1.00 4.51 O ATOM 0 H SER B 72 -7.132 -5.412 -16.539 1.00 32.02 H new ATOM 0 HA SER B 72 -4.862 -4.919 -15.036 1.00 31.54 H new ATOM 0 HB2 SER B 72 -5.013 -4.999 -17.544 1.00 23.35 H new ATOM 0 HB3 SER B 72 -5.900 -3.487 -17.547 1.00 23.35 H new ATOM 0 HG SER B 72 -3.642 -3.181 -17.980 1.00 4.51 H new ATOM 1284 N THR B 73 -6.851 -2.286 -14.993 1.00 33.10 N ATOM 1285 CA THR B 73 -7.209 -1.064 -14.228 1.00 11.25 C ATOM 1286 C THR B 73 -7.175 -1.298 -12.687 1.00 33.34 C ATOM 1287 O THR B 73 -6.769 -0.415 -11.924 1.00 51.52 O ATOM 1288 CB THR B 73 -8.621 -0.550 -14.677 1.00 24.32 C ATOM 1289 OG1 THR B 73 -9.064 0.554 -13.863 1.00 43.13 O ATOM 1290 CG2 THR B 73 -9.668 -1.672 -14.647 1.00 51.01 C ATOM 0 H THR B 73 -7.548 -2.546 -15.691 1.00 33.10 H new ATOM 0 HA THR B 73 -6.459 -0.305 -14.448 1.00 11.25 H new ATOM 0 HB THR B 73 -8.516 -0.204 -15.705 1.00 24.32 H new ATOM 0 HG1 THR B 73 -9.946 0.853 -14.169 1.00 43.13 H new ATOM 0 HG21 THR B 73 -10.633 -1.277 -14.964 1.00 51.01 H new ATOM 0 HG22 THR B 73 -9.363 -2.472 -15.322 1.00 51.01 H new ATOM 0 HG23 THR B 73 -9.752 -2.064 -13.634 1.00 51.01 H new ATOM 1298 N TYR B 74 -7.613 -2.492 -12.262 1.00 41.13 N ATOM 1299 CA TYR B 74 -7.577 -2.939 -10.857 1.00 65.41 C ATOM 1300 C TYR B 74 -6.174 -3.471 -10.472 1.00 33.24 C ATOM 1301 O TYR B 74 -5.735 -3.303 -9.332 1.00 41.05 O ATOM 1302 CB TYR B 74 -8.663 -4.029 -10.648 1.00 43.41 C ATOM 1303 CG TYR B 74 -8.677 -4.660 -9.254 1.00 53.01 C ATOM 1304 CD1 TYR B 74 -9.211 -3.982 -8.168 1.00 32.10 C ATOM 1305 CD2 TYR B 74 -8.131 -5.922 -9.023 1.00 71.13 C ATOM 1306 CE1 TYR B 74 -9.196 -4.537 -6.911 1.00 3.41 C ATOM 1307 CE2 TYR B 74 -8.122 -6.482 -7.767 1.00 11.20 C ATOM 1308 CZ TYR B 74 -8.651 -5.780 -6.717 1.00 42.13 C ATOM 1309 OH TYR B 74 -8.618 -6.313 -5.461 1.00 60.34 O ATOM 0 H TYR B 74 -8.009 -3.188 -12.894 1.00 41.13 H new ATOM 0 HA TYR B 74 -7.785 -2.090 -10.206 1.00 65.41 H new ATOM 0 HB2 TYR B 74 -9.641 -3.590 -10.843 1.00 43.41 H new ATOM 0 HB3 TYR B 74 -8.515 -4.817 -11.387 1.00 43.41 H new ATOM 0 HD1 TYR B 74 -9.645 -3.004 -8.313 1.00 32.10 H new ATOM 0 HD2 TYR B 74 -7.705 -6.472 -9.849 1.00 71.13 H new ATOM 0 HE1 TYR B 74 -9.614 -3.994 -6.076 1.00 3.41 H new ATOM 0 HE2 TYR B 74 -7.702 -7.465 -7.610 1.00 11.20 H new ATOM 0 HH TYR B 74 -9.456 -6.790 -5.286 1.00 60.34 H new ATOM 1319 N THR B 75 -5.490 -4.128 -11.429 1.00 25.24 N ATOM 1320 CA THR B 75 -4.119 -4.656 -11.243 1.00 4.32 C ATOM 1321 C THR B 75 -3.106 -3.497 -11.090 1.00 63.02 C ATOM 1322 O THR B 75 -1.974 -3.697 -10.627 1.00 44.55 O ATOM 1323 CB THR B 75 -3.706 -5.576 -12.440 1.00 64.23 C ATOM 1324 OG1 THR B 75 -4.796 -6.444 -12.774 1.00 63.35 O ATOM 1325 CG2 THR B 75 -2.461 -6.433 -12.127 1.00 12.55 C ATOM 0 H THR B 75 -5.872 -4.309 -12.357 1.00 25.24 H new ATOM 0 HA THR B 75 -4.111 -5.253 -10.331 1.00 4.32 H new ATOM 0 HB THR B 75 -3.458 -4.923 -13.277 1.00 64.23 H new ATOM 0 HG1 THR B 75 -4.474 -7.368 -12.829 1.00 63.35 H new ATOM 0 HG21 THR B 75 -2.219 -7.052 -12.991 1.00 12.55 H new ATOM 0 HG22 THR B 75 -1.618 -5.781 -11.900 1.00 12.55 H new ATOM 0 HG23 THR B 75 -2.666 -7.073 -11.269 1.00 12.55 H new ATOM 1333 N ASP B 76 -3.537 -2.284 -11.502 1.00 61.53 N ATOM 1334 CA ASP B 76 -2.794 -1.040 -11.274 1.00 74.43 C ATOM 1335 C ASP B 76 -2.548 -0.846 -9.772 1.00 33.33 C ATOM 1336 O ASP B 76 -1.474 -0.428 -9.376 1.00 2.15 O ATOM 1337 CB ASP B 76 -3.574 0.177 -11.834 1.00 31.41 C ATOM 1338 CG ASP B 76 -2.682 1.422 -11.971 1.00 63.43 C ATOM 1339 OD1 ASP B 76 -2.482 2.156 -10.977 1.00 55.41 O ATOM 1340 OD2 ASP B 76 -2.164 1.662 -13.079 1.00 11.25 O ATOM 0 H ASP B 76 -4.415 -2.148 -12.004 1.00 61.53 H new ATOM 0 HA ASP B 76 -1.839 -1.111 -11.794 1.00 74.43 H new ATOM 0 HB2 ASP B 76 -3.992 -0.078 -12.808 1.00 31.41 H new ATOM 0 HB3 ASP B 76 -4.413 0.403 -11.176 1.00 31.41 H new ATOM 1345 N LEU B 77 -3.569 -1.188 -8.962 1.00 24.42 N ATOM 1346 CA LEU B 77 -3.495 -1.146 -7.494 1.00 31.34 C ATOM 1347 C LEU B 77 -2.391 -2.085 -6.977 1.00 55.12 C ATOM 1348 O LEU B 77 -1.581 -1.670 -6.152 1.00 75.13 O ATOM 1349 CB LEU B 77 -4.874 -1.501 -6.879 1.00 74.34 C ATOM 1350 CG LEU B 77 -4.947 -1.607 -5.320 1.00 13.12 C ATOM 1351 CD1 LEU B 77 -4.447 -0.323 -4.624 1.00 64.11 C ATOM 1352 CD2 LEU B 77 -6.380 -1.968 -4.875 1.00 41.44 C ATOM 0 H LEU B 77 -4.473 -1.503 -9.314 1.00 24.42 H new ATOM 0 HA LEU B 77 -3.236 -0.134 -7.184 1.00 31.34 H new ATOM 0 HB2 LEU B 77 -5.593 -0.749 -7.202 1.00 74.34 H new ATOM 0 HB3 LEU B 77 -5.198 -2.453 -7.299 1.00 74.34 H new ATOM 0 HG LEU B 77 -4.276 -2.408 -5.010 1.00 13.12 H new ATOM 0 HD11 LEU B 77 -4.517 -0.444 -3.543 1.00 64.11 H new ATOM 0 HD12 LEU B 77 -3.409 -0.139 -4.902 1.00 64.11 H new ATOM 0 HD13 LEU B 77 -5.061 0.522 -4.935 1.00 64.11 H new ATOM 0 HD21 LEU B 77 -6.416 -2.039 -3.788 1.00 41.44 H new ATOM 0 HD22 LEU B 77 -7.071 -1.195 -5.212 1.00 41.44 H new ATOM 0 HD23 LEU B 77 -6.666 -2.925 -5.311 1.00 41.44 H new ATOM 1364 N LEU B 78 -2.341 -3.322 -7.524 1.00 12.04 N ATOM 1365 CA LEU B 78 -1.283 -4.315 -7.205 1.00 4.13 C ATOM 1366 C LEU B 78 0.110 -3.738 -7.497 1.00 2.34 C ATOM 1367 O LEU B 78 1.056 -3.933 -6.708 1.00 23.13 O ATOM 1368 CB LEU B 78 -1.502 -5.618 -8.025 1.00 2.23 C ATOM 1369 CG LEU B 78 -0.394 -6.716 -7.906 1.00 20.33 C ATOM 1370 CD1 LEU B 78 -0.207 -7.190 -6.450 1.00 20.31 C ATOM 1371 CD2 LEU B 78 -0.691 -7.895 -8.846 1.00 41.01 C ATOM 0 H LEU B 78 -3.029 -3.661 -8.196 1.00 12.04 H new ATOM 0 HA LEU B 78 -1.345 -4.550 -6.142 1.00 4.13 H new ATOM 0 HB2 LEU B 78 -2.451 -6.058 -7.719 1.00 2.23 H new ATOM 0 HB3 LEU B 78 -1.601 -5.346 -9.076 1.00 2.23 H new ATOM 0 HG LEU B 78 0.549 -6.266 -8.216 1.00 20.33 H new ATOM 0 HD11 LEU B 78 0.571 -7.952 -6.413 1.00 20.31 H new ATOM 0 HD12 LEU B 78 0.083 -6.344 -5.826 1.00 20.31 H new ATOM 0 HD13 LEU B 78 -1.143 -7.609 -6.081 1.00 20.31 H new ATOM 0 HD21 LEU B 78 0.093 -8.646 -8.746 1.00 41.01 H new ATOM 0 HD22 LEU B 78 -1.652 -8.336 -8.583 1.00 41.01 H new ATOM 0 HD23 LEU B 78 -0.724 -7.540 -9.876 1.00 41.01 H new ATOM 1383 N SER B 79 0.204 -3.010 -8.627 1.00 3.01 N ATOM 1384 CA SER B 79 1.424 -2.318 -9.033 1.00 21.31 C ATOM 1385 C SER B 79 1.831 -1.307 -7.951 1.00 55.14 C ATOM 1386 O SER B 79 2.929 -1.422 -7.411 1.00 31.14 O ATOM 1387 CB SER B 79 1.237 -1.633 -10.405 1.00 24.02 C ATOM 1388 OG SER B 79 2.420 -0.979 -10.828 1.00 21.53 O ATOM 0 H SER B 79 -0.571 -2.891 -9.279 1.00 3.01 H new ATOM 0 HA SER B 79 2.227 -3.047 -9.143 1.00 21.31 H new ATOM 0 HB2 SER B 79 0.947 -2.377 -11.147 1.00 24.02 H new ATOM 0 HB3 SER B 79 0.423 -0.910 -10.343 1.00 24.02 H new ATOM 0 HG SER B 79 2.267 -0.558 -11.700 1.00 21.53 H new ATOM 1394 N VAL B 80 0.878 -0.410 -7.572 1.00 42.21 N ATOM 1395 CA VAL B 80 1.109 0.684 -6.597 1.00 11.32 C ATOM 1396 C VAL B 80 1.697 0.155 -5.286 1.00 34.41 C ATOM 1397 O VAL B 80 2.616 0.766 -4.728 1.00 25.15 O ATOM 1398 CB VAL B 80 -0.208 1.481 -6.252 1.00 41.41 C ATOM 1399 CG1 VAL B 80 0.077 2.645 -5.266 1.00 2.54 C ATOM 1400 CG2 VAL B 80 -0.890 2.005 -7.520 1.00 23.40 C ATOM 0 H VAL B 80 -0.074 -0.429 -7.938 1.00 42.21 H new ATOM 0 HA VAL B 80 1.815 1.357 -7.083 1.00 11.32 H new ATOM 0 HB VAL B 80 -0.889 0.784 -5.764 1.00 41.41 H new ATOM 0 HG11 VAL B 80 -0.851 3.174 -5.049 1.00 2.54 H new ATOM 0 HG12 VAL B 80 0.491 2.245 -4.341 1.00 2.54 H new ATOM 0 HG13 VAL B 80 0.791 3.335 -5.715 1.00 2.54 H new ATOM 0 HG21 VAL B 80 -1.794 2.550 -7.248 1.00 23.40 H new ATOM 0 HG22 VAL B 80 -0.210 2.672 -8.050 1.00 23.40 H new ATOM 0 HG23 VAL B 80 -1.152 1.167 -8.165 1.00 23.40 H new ATOM 1410 N ILE B 81 1.149 -0.989 -4.819 1.00 70.10 N ATOM 1411 CA ILE B 81 1.571 -1.622 -3.565 1.00 14.14 C ATOM 1412 C ILE B 81 3.098 -1.861 -3.543 1.00 13.20 C ATOM 1413 O ILE B 81 3.798 -1.482 -2.601 1.00 72.32 O ATOM 1414 CB ILE B 81 0.833 -2.981 -3.281 1.00 40.03 C ATOM 1415 CG1 ILE B 81 -0.719 -2.852 -3.401 1.00 50.32 C ATOM 1416 CG2 ILE B 81 1.219 -3.506 -1.889 1.00 23.44 C ATOM 1417 CD1 ILE B 81 -1.361 -1.769 -2.546 1.00 20.14 C ATOM 0 H ILE B 81 0.406 -1.492 -5.304 1.00 70.10 H new ATOM 0 HA ILE B 81 1.296 -0.921 -2.777 1.00 14.14 H new ATOM 0 HB ILE B 81 1.154 -3.692 -4.042 1.00 40.03 H new ATOM 0 HG12 ILE B 81 -0.969 -2.661 -4.445 1.00 50.32 H new ATOM 0 HG13 ILE B 81 -1.166 -3.810 -3.136 1.00 50.32 H new ATOM 0 HG21 ILE B 81 0.704 -4.448 -1.700 1.00 23.44 H new ATOM 0 HG22 ILE B 81 2.296 -3.667 -1.847 1.00 23.44 H new ATOM 0 HG23 ILE B 81 0.931 -2.776 -1.132 1.00 23.44 H new ATOM 0 HD11 ILE B 81 -2.439 -1.769 -2.708 1.00 20.14 H new ATOM 0 HD12 ILE B 81 -1.152 -1.964 -1.494 1.00 20.14 H new ATOM 0 HD13 ILE B 81 -0.952 -0.797 -2.823 1.00 20.14 H new ATOM 1429 N GLU B 82 3.599 -2.455 -4.614 1.00 30.42 N ATOM 1430 CA GLU B 82 5.018 -2.816 -4.733 1.00 64.53 C ATOM 1431 C GLU B 82 5.876 -1.636 -5.227 1.00 14.21 C ATOM 1432 O GLU B 82 7.087 -1.612 -4.989 1.00 54.25 O ATOM 1433 CB GLU B 82 5.127 -4.062 -5.629 1.00 12.44 C ATOM 1434 CG GLU B 82 4.348 -5.264 -5.043 1.00 52.45 C ATOM 1435 CD GLU B 82 4.385 -6.514 -5.919 1.00 61.44 C ATOM 1436 OE1 GLU B 82 5.491 -6.998 -6.204 1.00 33.44 O ATOM 1437 OE2 GLU B 82 3.314 -7.026 -6.310 1.00 45.31 O ATOM 0 H GLU B 82 3.040 -2.704 -5.430 1.00 30.42 H new ATOM 0 HA GLU B 82 5.422 -3.058 -3.750 1.00 64.53 H new ATOM 0 HB2 GLU B 82 4.743 -3.830 -6.622 1.00 12.44 H new ATOM 0 HB3 GLU B 82 6.176 -4.333 -5.748 1.00 12.44 H new ATOM 0 HG2 GLU B 82 4.759 -5.507 -4.063 1.00 52.45 H new ATOM 0 HG3 GLU B 82 3.309 -4.971 -4.890 1.00 52.45 H new ATOM 1444 N GLU B 83 5.239 -0.632 -5.857 1.00 71.43 N ATOM 1445 CA GLU B 83 5.925 0.613 -6.260 1.00 2.31 C ATOM 1446 C GLU B 83 6.280 1.440 -5.017 1.00 22.04 C ATOM 1447 O GLU B 83 7.326 2.090 -4.979 1.00 44.04 O ATOM 1448 CB GLU B 83 5.058 1.449 -7.244 1.00 24.35 C ATOM 1449 CG GLU B 83 4.768 0.763 -8.596 1.00 45.10 C ATOM 1450 CD GLU B 83 6.022 0.481 -9.435 1.00 2.34 C ATOM 1451 OE1 GLU B 83 6.665 -0.570 -9.240 1.00 40.05 O ATOM 1452 OE2 GLU B 83 6.372 1.310 -10.299 1.00 54.21 O ATOM 0 H GLU B 83 4.248 -0.657 -6.099 1.00 71.43 H new ATOM 0 HA GLU B 83 6.842 0.342 -6.782 1.00 2.31 H new ATOM 0 HB2 GLU B 83 4.109 1.683 -6.761 1.00 24.35 H new ATOM 0 HB3 GLU B 83 5.562 2.397 -7.434 1.00 24.35 H new ATOM 0 HG2 GLU B 83 4.249 -0.177 -8.411 1.00 45.10 H new ATOM 0 HG3 GLU B 83 4.091 1.393 -9.173 1.00 45.10 H new ATOM 1459 N MET B 84 5.398 1.408 -3.997 1.00 24.01 N ATOM 1460 CA MET B 84 5.679 2.047 -2.702 1.00 2.41 C ATOM 1461 C MET B 84 6.590 1.111 -1.866 1.00 53.21 C ATOM 1462 O MET B 84 7.426 1.573 -1.093 1.00 1.54 O ATOM 1463 CB MET B 84 4.350 2.442 -1.939 1.00 34.21 C ATOM 1464 CG MET B 84 3.753 1.392 -0.964 1.00 2.54 C ATOM 1465 SD MET B 84 2.219 0.621 -1.519 1.00 75.40 S ATOM 1466 CE MET B 84 0.987 1.882 -1.266 1.00 71.13 C ATOM 0 H MET B 84 4.489 0.947 -4.048 1.00 24.01 H new ATOM 0 HA MET B 84 6.207 2.986 -2.870 1.00 2.41 H new ATOM 0 HB2 MET B 84 4.543 3.355 -1.376 1.00 34.21 H new ATOM 0 HB3 MET B 84 3.591 2.681 -2.684 1.00 34.21 H new ATOM 0 HG2 MET B 84 4.495 0.611 -0.797 1.00 2.54 H new ATOM 0 HG3 MET B 84 3.573 1.872 -0.002 1.00 2.54 H new ATOM 0 HE1 MET B 84 0.106 1.655 -1.866 1.00 71.13 H new ATOM 0 HE2 MET B 84 0.710 1.914 -0.212 1.00 71.13 H new ATOM 0 HE3 MET B 84 1.390 2.850 -1.565 1.00 71.13 H new ATOM 1476 N GLY B 85 6.446 -0.216 -2.090 1.00 65.33 N ATOM 1477 CA GLY B 85 7.212 -1.245 -1.375 1.00 22.25 C ATOM 1478 C GLY B 85 8.727 -1.146 -1.521 1.00 10.21 C ATOM 1479 O GLY B 85 9.468 -1.551 -0.617 1.00 51.31 O ATOM 0 H GLY B 85 5.792 -0.596 -2.774 1.00 65.33 H new ATOM 0 HA2 GLY B 85 6.961 -1.192 -0.316 1.00 22.25 H new ATOM 0 HA3 GLY B 85 6.892 -2.225 -1.729 1.00 22.25 H new ATOM 1483 N LYS B 86 9.186 -0.591 -2.650 1.00 42.00 N ATOM 1484 CA LYS B 86 10.625 -0.394 -2.915 1.00 10.11 C ATOM 1485 C LYS B 86 11.104 0.960 -2.349 1.00 24.13 C ATOM 1486 O LYS B 86 12.287 1.121 -2.036 1.00 53.10 O ATOM 1487 CB LYS B 86 10.901 -0.498 -4.437 1.00 32.52 C ATOM 1488 CG LYS B 86 10.211 0.583 -5.306 1.00 2.53 C ATOM 1489 CD LYS B 86 10.345 0.317 -6.826 1.00 2.12 C ATOM 1490 CE LYS B 86 11.811 0.242 -7.296 1.00 22.11 C ATOM 1491 NZ LYS B 86 11.913 -0.062 -8.750 1.00 12.04 N ATOM 0 H LYS B 86 8.579 -0.267 -3.403 1.00 42.00 H new ATOM 0 HA LYS B 86 11.189 -1.178 -2.410 1.00 10.11 H new ATOM 0 HB2 LYS B 86 11.977 -0.440 -4.600 1.00 32.52 H new ATOM 0 HB3 LYS B 86 10.578 -1.480 -4.783 1.00 32.52 H new ATOM 0 HG2 LYS B 86 9.154 0.632 -5.043 1.00 2.53 H new ATOM 0 HG3 LYS B 86 10.642 1.557 -5.074 1.00 2.53 H new ATOM 0 HD2 LYS B 86 9.842 -0.618 -7.072 1.00 2.12 H new ATOM 0 HD3 LYS B 86 9.833 1.108 -7.374 1.00 2.12 H new ATOM 0 HE2 LYS B 86 12.308 1.189 -7.087 1.00 22.11 H new ATOM 0 HE3 LYS B 86 12.336 -0.525 -6.727 1.00 22.11 H new ATOM 0 HZ1 LYS B 86 12.915 -0.104 -9.026 1.00 12.04 H new ATOM 0 HZ2 LYS B 86 11.461 -0.978 -8.946 1.00 12.04 H new ATOM 0 HZ3 LYS B 86 11.434 0.683 -9.295 1.00 12.04 H new ATOM 1505 N GLU B 87 10.155 1.911 -2.189 1.00 3.34 N ATOM 1506 CA GLU B 87 10.436 3.275 -1.684 1.00 13.12 C ATOM 1507 C GLU B 87 10.658 3.293 -0.168 1.00 31.34 C ATOM 1508 O GLU B 87 11.142 4.290 0.360 1.00 4.44 O ATOM 1509 CB GLU B 87 9.276 4.236 -2.052 1.00 35.32 C ATOM 1510 CG GLU B 87 9.088 4.458 -3.561 1.00 51.25 C ATOM 1511 CD GLU B 87 10.267 5.198 -4.210 1.00 23.43 C ATOM 1512 OE1 GLU B 87 10.285 6.440 -4.180 1.00 52.13 O ATOM 1513 OE2 GLU B 87 11.176 4.544 -4.765 1.00 40.14 O ATOM 0 H GLU B 87 9.171 1.754 -2.407 1.00 3.34 H new ATOM 0 HA GLU B 87 11.357 3.611 -2.161 1.00 13.12 H new ATOM 0 HB2 GLU B 87 8.348 3.841 -1.637 1.00 35.32 H new ATOM 0 HB3 GLU B 87 9.454 5.200 -1.575 1.00 35.32 H new ATOM 0 HG2 GLU B 87 8.958 3.493 -4.051 1.00 51.25 H new ATOM 0 HG3 GLU B 87 8.173 5.027 -3.728 1.00 51.25 H new ATOM 1520 N ILE B 88 10.325 2.182 0.507 1.00 73.11 N ATOM 1521 CA ILE B 88 10.476 2.040 1.966 1.00 14.03 C ATOM 1522 C ILE B 88 11.950 2.191 2.401 1.00 3.23 C ATOM 1523 O ILE B 88 12.227 2.847 3.400 1.00 2.33 O ATOM 1524 CB ILE B 88 9.909 0.655 2.449 1.00 42.55 C ATOM 1525 CG1 ILE B 88 8.406 0.522 2.044 1.00 0.53 C ATOM 1526 CG2 ILE B 88 10.101 0.451 3.976 1.00 42.20 C ATOM 1527 CD1 ILE B 88 7.800 -0.827 2.357 1.00 12.43 C ATOM 0 H ILE B 88 9.941 1.352 0.055 1.00 73.11 H new ATOM 0 HA ILE B 88 9.903 2.841 2.434 1.00 14.03 H new ATOM 0 HB ILE B 88 10.476 -0.133 1.954 1.00 42.55 H new ATOM 0 HG12 ILE B 88 7.833 1.294 2.557 1.00 0.53 H new ATOM 0 HG13 ILE B 88 8.311 0.712 0.975 1.00 0.53 H new ATOM 0 HG21 ILE B 88 9.696 -0.518 4.267 1.00 42.20 H new ATOM 0 HG22 ILE B 88 11.163 0.487 4.217 1.00 42.20 H new ATOM 0 HG23 ILE B 88 9.579 1.240 4.517 1.00 42.20 H new ATOM 0 HD11 ILE B 88 6.755 -0.838 2.046 1.00 12.43 H new ATOM 0 HD12 ILE B 88 8.346 -1.604 1.822 1.00 12.43 H new ATOM 0 HD13 ILE B 88 7.861 -1.013 3.429 1.00 12.43 H new ATOM 1539 N ARG B 89 12.875 1.596 1.621 1.00 12.40 N ATOM 1540 CA ARG B 89 14.319 1.579 1.951 1.00 34.13 C ATOM 1541 C ARG B 89 14.953 3.006 1.873 1.00 64.43 C ATOM 1542 O ARG B 89 15.576 3.433 2.856 1.00 1.34 O ATOM 1543 CB ARG B 89 15.060 0.511 1.069 1.00 41.41 C ATOM 1544 CG ARG B 89 16.588 0.343 1.321 1.00 53.42 C ATOM 1545 CD ARG B 89 17.471 1.313 0.502 1.00 74.53 C ATOM 1546 NE ARG B 89 17.274 1.139 -0.951 1.00 73.11 N ATOM 1547 CZ ARG B 89 17.460 2.082 -1.892 1.00 14.45 C ATOM 1548 NH1 ARG B 89 17.851 3.310 -1.572 1.00 40.45 N ATOM 1549 NH2 ARG B 89 17.240 1.786 -3.168 1.00 23.43 N ATOM 0 H ARG B 89 12.647 1.116 0.750 1.00 12.40 H new ATOM 0 HA ARG B 89 14.441 1.275 2.991 1.00 34.13 H new ATOM 0 HB2 ARG B 89 14.580 -0.455 1.227 1.00 41.41 H new ATOM 0 HB3 ARG B 89 14.913 0.773 0.021 1.00 41.41 H new ATOM 0 HG2 ARG B 89 16.789 0.492 2.382 1.00 53.42 H new ATOM 0 HG3 ARG B 89 16.875 -0.681 1.083 1.00 53.42 H new ATOM 0 HD2 ARG B 89 17.237 2.341 0.780 1.00 74.53 H new ATOM 0 HD3 ARG B 89 18.520 1.147 0.749 1.00 74.53 H new ATOM 0 HE ARG B 89 16.969 0.220 -1.270 1.00 73.11 H new ATOM 0 HH11 ARG B 89 18.017 3.554 -0.596 1.00 40.45 H new ATOM 0 HH12 ARG B 89 17.986 4.009 -2.303 1.00 40.45 H new ATOM 0 HH21 ARG B 89 16.932 0.849 -3.428 1.00 23.43 H new ATOM 0 HH22 ARG B 89 17.379 2.496 -3.887 1.00 23.43 H new ATOM 1563 N PRO B 90 14.842 3.776 0.722 1.00 74.35 N ATOM 1564 CA PRO B 90 15.385 5.157 0.653 1.00 64.11 C ATOM 1565 C PRO B 90 14.691 6.127 1.643 1.00 35.31 C ATOM 1566 O PRO B 90 15.361 6.981 2.228 1.00 30.33 O ATOM 1567 CB PRO B 90 15.179 5.570 -0.827 1.00 31.23 C ATOM 1568 CG PRO B 90 14.113 4.656 -1.353 1.00 23.00 C ATOM 1569 CD PRO B 90 14.260 3.365 -0.590 1.00 71.32 C ATOM 0 HA PRO B 90 16.433 5.198 0.951 1.00 64.11 H new ATOM 0 HB2 PRO B 90 14.874 6.614 -0.904 1.00 31.23 H new ATOM 0 HB3 PRO B 90 16.103 5.464 -1.396 1.00 31.23 H new ATOM 0 HG2 PRO B 90 13.122 5.086 -1.205 1.00 23.00 H new ATOM 0 HG3 PRO B 90 14.233 4.492 -2.424 1.00 23.00 H new ATOM 0 HD2 PRO B 90 13.299 2.868 -0.460 1.00 71.32 H new ATOM 0 HD3 PRO B 90 14.912 2.666 -1.113 1.00 71.32 H new ATOM 1577 N THR B 91 13.361 5.965 1.846 1.00 70.21 N ATOM 1578 CA THR B 91 12.601 6.700 2.889 1.00 23.10 C ATOM 1579 C THR B 91 13.233 6.482 4.274 1.00 1.25 C ATOM 1580 O THR B 91 13.532 7.439 4.998 1.00 0.44 O ATOM 1581 CB THR B 91 11.113 6.223 2.926 1.00 41.21 C ATOM 1582 OG1 THR B 91 10.475 6.581 1.697 1.00 64.20 O ATOM 1583 CG2 THR B 91 10.314 6.805 4.115 1.00 12.20 C ATOM 0 H THR B 91 12.787 5.326 1.296 1.00 70.21 H new ATOM 0 HA THR B 91 12.634 7.760 2.639 1.00 23.10 H new ATOM 0 HB THR B 91 11.126 5.141 3.058 1.00 41.21 H new ATOM 0 HG1 THR B 91 10.599 5.862 1.043 1.00 64.20 H new ATOM 0 HG21 THR B 91 9.290 6.434 4.081 1.00 12.20 H new ATOM 0 HG22 THR B 91 10.780 6.499 5.051 1.00 12.20 H new ATOM 0 HG23 THR B 91 10.308 7.893 4.052 1.00 12.20 H new ATOM 1591 N TYR B 92 13.457 5.200 4.586 1.00 64.21 N ATOM 1592 CA TYR B 92 14.075 4.748 5.830 1.00 21.34 C ATOM 1593 C TYR B 92 15.487 5.325 6.000 1.00 31.34 C ATOM 1594 O TYR B 92 15.932 5.558 7.122 1.00 43.44 O ATOM 1595 CB TYR B 92 14.110 3.200 5.859 1.00 71.23 C ATOM 1596 CG TYR B 92 14.733 2.615 7.124 1.00 62.23 C ATOM 1597 CD1 TYR B 92 14.142 2.824 8.368 1.00 45.43 C ATOM 1598 CD2 TYR B 92 15.920 1.885 7.081 1.00 62.01 C ATOM 1599 CE1 TYR B 92 14.702 2.323 9.509 1.00 33.15 C ATOM 1600 CE2 TYR B 92 16.483 1.387 8.230 1.00 73.43 C ATOM 1601 CZ TYR B 92 15.871 1.611 9.441 1.00 5.33 C ATOM 1602 OH TYR B 92 16.436 1.117 10.591 1.00 60.24 O ATOM 0 H TYR B 92 13.206 4.433 3.963 1.00 64.21 H new ATOM 0 HA TYR B 92 13.475 5.111 6.664 1.00 21.34 H new ATOM 0 HB2 TYR B 92 13.092 2.822 5.760 1.00 71.23 H new ATOM 0 HB3 TYR B 92 14.668 2.843 4.993 1.00 71.23 H new ATOM 0 HD1 TYR B 92 13.225 3.392 8.432 1.00 45.43 H new ATOM 0 HD2 TYR B 92 16.403 1.709 6.131 1.00 62.01 H new ATOM 0 HE1 TYR B 92 14.224 2.488 10.463 1.00 33.15 H new ATOM 0 HE2 TYR B 92 17.402 0.822 8.183 1.00 73.43 H new ATOM 0 HH TYR B 92 17.260 0.635 10.370 1.00 60.24 H new ATOM 1612 N ALA B 93 16.168 5.591 4.873 1.00 60.30 N ATOM 1613 CA ALA B 93 17.542 6.126 4.863 1.00 25.04 C ATOM 1614 C ALA B 93 17.546 7.668 4.884 1.00 1.33 C ATOM 1615 O ALA B 93 18.570 8.292 4.590 1.00 63.30 O ATOM 1616 CB ALA B 93 18.290 5.581 3.640 1.00 73.42 C ATOM 0 H ALA B 93 15.782 5.441 3.941 1.00 60.30 H new ATOM 0 HA ALA B 93 18.056 5.798 5.767 1.00 25.04 H new ATOM 0 HB1 ALA B 93 19.306 5.975 3.630 1.00 73.42 H new ATOM 0 HB2 ALA B 93 18.323 4.493 3.689 1.00 73.42 H new ATOM 0 HB3 ALA B 93 17.773 5.888 2.731 1.00 73.42 H new ATOM 1622 N GLY B 94 16.395 8.266 5.251 1.00 42.01 N ATOM 1623 CA GLY B 94 16.280 9.709 5.440 1.00 13.21 C ATOM 1624 C GLY B 94 16.085 10.501 4.154 1.00 43.11 C ATOM 1625 O GLY B 94 16.224 11.720 4.175 1.00 61.14 O ATOM 0 H GLY B 94 15.528 7.757 5.422 1.00 42.01 H new ATOM 0 HA2 GLY B 94 15.441 9.910 6.106 1.00 13.21 H new ATOM 0 HA3 GLY B 94 17.178 10.070 5.941 1.00 13.21 H new ATOM 1629 N SER B 95 15.768 9.831 3.031 1.00 54.13 N ATOM 1630 CA SER B 95 15.502 10.514 1.740 1.00 4.15 C ATOM 1631 C SER B 95 14.026 10.969 1.637 1.00 50.54 C ATOM 1632 O SER B 95 13.123 10.134 1.477 1.00 35.00 O ATOM 1633 CB SER B 95 15.871 9.584 0.565 1.00 12.42 C ATOM 1634 OG SER B 95 17.209 9.119 0.695 1.00 53.31 O ATOM 0 H SER B 95 15.688 8.815 2.986 1.00 54.13 H new ATOM 0 HA SER B 95 16.124 11.408 1.692 1.00 4.15 H new ATOM 0 HB2 SER B 95 15.187 8.736 0.537 1.00 12.42 H new ATOM 0 HB3 SER B 95 15.756 10.118 -0.378 1.00 12.42 H new ATOM 0 HG SER B 95 17.425 8.530 -0.058 1.00 53.31 H new ATOM 1640 N LYS B 96 13.804 12.305 1.742 1.00 53.01 N ATOM 1641 CA LYS B 96 12.460 12.932 1.630 1.00 11.11 C ATOM 1642 C LYS B 96 11.891 12.821 0.210 1.00 24.12 C ATOM 1643 O LYS B 96 10.671 12.871 0.029 1.00 40.25 O ATOM 1644 CB LYS B 96 12.499 14.426 2.057 1.00 32.50 C ATOM 1645 CG LYS B 96 13.386 15.333 1.170 1.00 42.25 C ATOM 1646 CD LYS B 96 13.348 16.816 1.603 1.00 63.12 C ATOM 1647 CE LYS B 96 14.219 17.706 0.700 1.00 43.02 C ATOM 1648 NZ LYS B 96 13.815 17.616 -0.728 1.00 54.31 N ATOM 0 H LYS B 96 14.552 12.978 1.907 1.00 53.01 H new ATOM 0 HA LYS B 96 11.805 12.383 2.306 1.00 11.11 H new ATOM 0 HB2 LYS B 96 11.482 14.818 2.050 1.00 32.50 H new ATOM 0 HB3 LYS B 96 12.856 14.486 3.085 1.00 32.50 H new ATOM 0 HG2 LYS B 96 14.415 14.975 1.207 1.00 42.25 H new ATOM 0 HG3 LYS B 96 13.057 15.253 0.134 1.00 42.25 H new ATOM 0 HD2 LYS B 96 12.319 17.174 1.579 1.00 63.12 H new ATOM 0 HD3 LYS B 96 13.691 16.901 2.634 1.00 63.12 H new ATOM 0 HE2 LYS B 96 14.146 18.741 1.033 1.00 43.02 H new ATOM 0 HE3 LYS B 96 15.264 17.412 0.800 1.00 43.02 H new ATOM 0 HZ1 LYS B 96 14.295 18.361 -1.272 1.00 54.31 H new ATOM 0 HZ2 LYS B 96 14.082 16.685 -1.106 1.00 54.31 H new ATOM 0 HZ3 LYS B 96 12.785 17.739 -0.806 1.00 54.31 H new ATOM 1662 N SER B 97 12.794 12.676 -0.784 1.00 31.01 N ATOM 1663 CA SER B 97 12.418 12.516 -2.197 1.00 12.24 C ATOM 1664 C SER B 97 11.539 11.266 -2.366 1.00 23.44 C ATOM 1665 O SER B 97 10.457 11.328 -2.944 1.00 1.33 O ATOM 1666 CB SER B 97 13.683 12.393 -3.082 1.00 32.24 C ATOM 1667 OG SER B 97 14.580 13.466 -2.857 1.00 22.10 O ATOM 0 H SER B 97 13.801 12.667 -0.625 1.00 31.01 H new ATOM 0 HA SER B 97 11.856 13.396 -2.511 1.00 12.24 H new ATOM 0 HB2 SER B 97 14.184 11.448 -2.873 1.00 32.24 H new ATOM 0 HB3 SER B 97 13.393 12.374 -4.133 1.00 32.24 H new ATOM 0 HG SER B 97 15.369 13.359 -3.429 1.00 22.10 H new ATOM 1673 N ALA B 98 12.019 10.152 -1.791 1.00 62.24 N ATOM 1674 CA ALA B 98 11.341 8.854 -1.850 1.00 54.41 C ATOM 1675 C ALA B 98 10.232 8.749 -0.797 1.00 71.44 C ATOM 1676 O ALA B 98 9.274 8.008 -1.002 1.00 52.14 O ATOM 1677 CB ALA B 98 12.362 7.735 -1.666 1.00 30.10 C ATOM 0 H ALA B 98 12.895 10.130 -1.269 1.00 62.24 H new ATOM 0 HA ALA B 98 10.870 8.757 -2.828 1.00 54.41 H new ATOM 0 HB1 ALA B 98 11.856 6.770 -1.710 1.00 30.10 H new ATOM 0 HB2 ALA B 98 13.109 7.790 -2.458 1.00 30.10 H new ATOM 0 HB3 ALA B 98 12.851 7.844 -0.698 1.00 30.10 H new ATOM 1683 N MET B 99 10.376 9.491 0.328 1.00 32.33 N ATOM 1684 CA MET B 99 9.373 9.517 1.418 1.00 3.03 C ATOM 1685 C MET B 99 8.053 10.098 0.927 1.00 44.41 C ATOM 1686 O MET B 99 6.989 9.558 1.212 1.00 20.32 O ATOM 1687 CB MET B 99 9.903 10.316 2.639 1.00 65.02 C ATOM 1688 CG MET B 99 8.959 10.352 3.868 1.00 2.21 C ATOM 1689 SD MET B 99 7.584 11.519 3.717 1.00 11.34 S ATOM 1690 CE MET B 99 8.452 13.089 3.697 1.00 50.50 C ATOM 0 H MET B 99 11.186 10.085 0.504 1.00 32.33 H new ATOM 0 HA MET B 99 9.195 8.490 1.736 1.00 3.03 H new ATOM 0 HB2 MET B 99 10.857 9.887 2.947 1.00 65.02 H new ATOM 0 HB3 MET B 99 10.101 11.340 2.324 1.00 65.02 H new ATOM 0 HG2 MET B 99 8.556 9.353 4.031 1.00 2.21 H new ATOM 0 HG3 MET B 99 9.542 10.608 4.752 1.00 2.21 H new ATOM 0 HE1 MET B 99 7.758 13.892 3.946 1.00 50.50 H new ATOM 0 HE2 MET B 99 9.260 13.068 4.429 1.00 50.50 H new ATOM 0 HE3 MET B 99 8.867 13.263 2.704 1.00 50.50 H new ATOM 1700 N GLU B 100 8.147 11.197 0.167 1.00 3.54 N ATOM 1701 CA GLU B 100 6.979 11.879 -0.401 1.00 31.34 C ATOM 1702 C GLU B 100 6.314 11.012 -1.491 1.00 73.24 C ATOM 1703 O GLU B 100 5.103 11.097 -1.702 1.00 41.34 O ATOM 1704 CB GLU B 100 7.410 13.260 -0.956 1.00 42.23 C ATOM 1705 CG GLU B 100 6.258 14.152 -1.469 1.00 24.53 C ATOM 1706 CD GLU B 100 5.204 14.480 -0.392 1.00 75.20 C ATOM 1707 OE1 GLU B 100 5.524 15.238 0.547 1.00 63.33 O ATOM 1708 OE2 GLU B 100 4.059 13.981 -0.478 1.00 21.54 O ATOM 0 H GLU B 100 9.036 11.638 -0.071 1.00 3.54 H new ATOM 0 HA GLU B 100 6.236 12.035 0.381 1.00 31.34 H new ATOM 0 HB2 GLU B 100 7.943 13.798 -0.172 1.00 42.23 H new ATOM 0 HB3 GLU B 100 8.116 13.102 -1.771 1.00 42.23 H new ATOM 0 HG2 GLU B 100 6.674 15.083 -1.853 1.00 24.53 H new ATOM 0 HG3 GLU B 100 5.768 13.653 -2.305 1.00 24.53 H new ATOM 1715 N ARG B 101 7.121 10.174 -2.178 1.00 60.03 N ATOM 1716 CA ARG B 101 6.602 9.227 -3.192 1.00 53.42 C ATOM 1717 C ARG B 101 6.015 7.976 -2.521 1.00 21.24 C ATOM 1718 O ARG B 101 5.137 7.320 -3.086 1.00 43.11 O ATOM 1719 CB ARG B 101 7.680 8.827 -4.228 1.00 5.31 C ATOM 1720 CG ARG B 101 8.355 10.020 -4.948 1.00 2.11 C ATOM 1721 CD ARG B 101 8.901 9.662 -6.338 1.00 31.11 C ATOM 1722 NE ARG B 101 9.670 8.407 -6.331 1.00 72.45 N ATOM 1723 CZ ARG B 101 9.865 7.620 -7.396 1.00 34.20 C ATOM 1724 NH1 ARG B 101 9.366 7.942 -8.584 1.00 41.53 N ATOM 1725 NH2 ARG B 101 10.524 6.485 -7.254 1.00 45.41 N ATOM 0 H ARG B 101 8.132 10.133 -2.050 1.00 60.03 H new ATOM 0 HA ARG B 101 5.809 9.744 -3.731 1.00 53.42 H new ATOM 0 HB2 ARG B 101 8.449 8.241 -3.725 1.00 5.31 H new ATOM 0 HB3 ARG B 101 7.224 8.179 -4.976 1.00 5.31 H new ATOM 0 HG2 ARG B 101 7.633 10.831 -5.047 1.00 2.11 H new ATOM 0 HG3 ARG B 101 9.171 10.393 -4.330 1.00 2.11 H new ATOM 0 HD2 ARG B 101 8.072 9.573 -7.040 1.00 31.11 H new ATOM 0 HD3 ARG B 101 9.536 10.472 -6.696 1.00 31.11 H new ATOM 0 HE ARG B 101 10.086 8.115 -5.447 1.00 72.45 H new ATOM 0 HH11 ARG B 101 8.825 8.800 -8.695 1.00 41.53 H new ATOM 0 HH12 ARG B 101 9.524 7.332 -9.386 1.00 41.53 H new ATOM 0 HH21 ARG B 101 10.880 6.213 -6.338 1.00 45.41 H new ATOM 0 HH22 ARG B 101 10.677 5.880 -8.061 1.00 45.41 H new ATOM 1739 N LEU B 102 6.502 7.665 -1.315 1.00 24.23 N ATOM 1740 CA LEU B 102 5.980 6.564 -0.496 1.00 31.11 C ATOM 1741 C LEU B 102 4.597 6.967 0.052 1.00 62.34 C ATOM 1742 O LEU B 102 3.651 6.182 -0.006 1.00 33.54 O ATOM 1743 CB LEU B 102 6.993 6.211 0.637 1.00 73.41 C ATOM 1744 CG LEU B 102 6.634 4.996 1.553 1.00 53.55 C ATOM 1745 CD1 LEU B 102 6.298 3.742 0.746 1.00 5.44 C ATOM 1746 CD2 LEU B 102 7.764 4.698 2.552 1.00 12.12 C ATOM 0 H LEU B 102 7.272 8.171 -0.877 1.00 24.23 H new ATOM 0 HA LEU B 102 5.857 5.663 -1.097 1.00 31.11 H new ATOM 0 HB2 LEU B 102 7.962 6.015 0.177 1.00 73.41 H new ATOM 0 HB3 LEU B 102 7.113 7.090 1.271 1.00 73.41 H new ATOM 0 HG LEU B 102 5.741 5.280 2.109 1.00 53.55 H new ATOM 0 HD11 LEU B 102 6.056 2.926 1.426 1.00 5.44 H new ATOM 0 HD12 LEU B 102 5.443 3.943 0.101 1.00 5.44 H new ATOM 0 HD13 LEU B 102 7.156 3.462 0.135 1.00 5.44 H new ATOM 0 HD21 LEU B 102 7.484 3.848 3.175 1.00 12.12 H new ATOM 0 HD22 LEU B 102 8.679 4.464 2.007 1.00 12.12 H new ATOM 0 HD23 LEU B 102 7.931 5.571 3.183 1.00 12.12 H new ATOM 1758 N LYS B 103 4.488 8.230 0.518 1.00 55.53 N ATOM 1759 CA LYS B 103 3.211 8.846 0.933 1.00 72.14 C ATOM 1760 C LYS B 103 2.232 8.900 -0.251 1.00 2.55 C ATOM 1761 O LYS B 103 1.060 8.552 -0.111 1.00 40.44 O ATOM 1762 CB LYS B 103 3.444 10.284 1.477 1.00 2.22 C ATOM 1763 CG LYS B 103 4.296 10.377 2.767 1.00 2.53 C ATOM 1764 CD LYS B 103 3.629 9.732 4.007 1.00 44.30 C ATOM 1765 CE LYS B 103 2.281 10.368 4.391 1.00 64.22 C ATOM 1766 NZ LYS B 103 2.392 11.818 4.690 1.00 2.34 N ATOM 0 H LYS B 103 5.289 8.854 0.617 1.00 55.53 H new ATOM 0 HA LYS B 103 2.784 8.232 1.726 1.00 72.14 H new ATOM 0 HB2 LYS B 103 3.928 10.874 0.699 1.00 2.22 H new ATOM 0 HB3 LYS B 103 2.474 10.743 1.669 1.00 2.22 H new ATOM 0 HG2 LYS B 103 5.257 9.894 2.591 1.00 2.53 H new ATOM 0 HG3 LYS B 103 4.500 11.426 2.981 1.00 2.53 H new ATOM 0 HD2 LYS B 103 3.477 8.670 3.814 1.00 44.30 H new ATOM 0 HD3 LYS B 103 4.310 9.808 4.855 1.00 44.30 H new ATOM 0 HE2 LYS B 103 1.571 10.223 3.576 1.00 64.22 H new ATOM 0 HE3 LYS B 103 1.876 9.852 5.262 1.00 64.22 H new ATOM 0 HZ1 LYS B 103 1.459 12.190 4.959 1.00 2.34 H new ATOM 0 HZ2 LYS B 103 3.060 11.961 5.474 1.00 2.34 H new ATOM 0 HZ3 LYS B 103 2.735 12.321 3.847 1.00 2.34 H new ATOM 1780 N ARG B 104 2.761 9.315 -1.420 1.00 41.03 N ATOM 1781 CA ARG B 104 2.005 9.408 -2.687 1.00 34.25 C ATOM 1782 C ARG B 104 1.438 8.034 -3.085 1.00 54.43 C ATOM 1783 O ARG B 104 0.320 7.943 -3.603 1.00 1.15 O ATOM 1784 CB ARG B 104 2.927 9.949 -3.812 1.00 2.34 C ATOM 1785 CG ARG B 104 2.273 10.055 -5.207 1.00 71.25 C ATOM 1786 CD ARG B 104 3.241 10.573 -6.284 1.00 23.03 C ATOM 1787 NE ARG B 104 2.590 10.656 -7.607 1.00 44.25 N ATOM 1788 CZ ARG B 104 2.500 11.759 -8.371 1.00 23.42 C ATOM 1789 NH1 ARG B 104 3.009 12.917 -7.965 1.00 24.20 N ATOM 1790 NH2 ARG B 104 1.888 11.695 -9.540 1.00 14.33 N ATOM 0 H ARG B 104 3.736 9.598 -1.512 1.00 41.03 H new ATOM 0 HA ARG B 104 1.171 10.095 -2.544 1.00 34.25 H new ATOM 0 HB2 ARG B 104 3.286 10.936 -3.521 1.00 2.34 H new ATOM 0 HB3 ARG B 104 3.800 9.301 -3.887 1.00 2.34 H new ATOM 0 HG2 ARG B 104 1.899 9.075 -5.503 1.00 71.25 H new ATOM 0 HG3 ARG B 104 1.412 10.721 -5.149 1.00 71.25 H new ATOM 0 HD2 ARG B 104 3.611 11.557 -5.998 1.00 23.03 H new ATOM 0 HD3 ARG B 104 4.106 9.912 -6.344 1.00 23.03 H new ATOM 0 HE ARG B 104 2.172 9.801 -7.974 1.00 44.25 H new ATOM 0 HH11 ARG B 104 3.477 12.979 -7.061 1.00 24.20 H new ATOM 0 HH12 ARG B 104 2.932 13.744 -8.557 1.00 24.20 H new ATOM 0 HH21 ARG B 104 1.487 10.813 -9.858 1.00 14.33 H new ATOM 0 HH22 ARG B 104 1.816 12.528 -10.124 1.00 14.33 H new ATOM 1804 N GLY B 105 2.230 6.981 -2.811 1.00 10.13 N ATOM 1805 CA GLY B 105 1.818 5.605 -3.046 1.00 71.32 C ATOM 1806 C GLY B 105 0.575 5.246 -2.255 1.00 13.14 C ATOM 1807 O GLY B 105 -0.356 4.668 -2.796 1.00 34.43 O ATOM 0 H GLY B 105 3.169 7.071 -2.422 1.00 10.13 H new ATOM 0 HA2 GLY B 105 1.627 5.459 -4.109 1.00 71.32 H new ATOM 0 HA3 GLY B 105 2.630 4.931 -2.773 1.00 71.32 H new ATOM 1811 N ILE B 106 0.563 5.629 -0.966 1.00 52.21 N ATOM 1812 CA ILE B 106 -0.568 5.370 -0.054 1.00 52.11 C ATOM 1813 C ILE B 106 -1.825 6.157 -0.478 1.00 32.42 C ATOM 1814 O ILE B 106 -2.932 5.627 -0.422 1.00 61.24 O ATOM 1815 CB ILE B 106 -0.167 5.675 1.454 1.00 3.33 C ATOM 1816 CG1 ILE B 106 0.590 4.458 2.082 1.00 2.42 C ATOM 1817 CG2 ILE B 106 -1.382 6.066 2.347 1.00 44.33 C ATOM 1818 CD1 ILE B 106 1.898 4.061 1.430 1.00 74.32 C ATOM 0 H ILE B 106 1.337 6.127 -0.526 1.00 52.21 H new ATOM 0 HA ILE B 106 -0.814 4.310 -0.121 1.00 52.11 H new ATOM 0 HB ILE B 106 0.494 6.541 1.422 1.00 3.33 H new ATOM 0 HG12 ILE B 106 0.787 4.684 3.130 1.00 2.42 H new ATOM 0 HG13 ILE B 106 -0.076 3.595 2.061 1.00 2.42 H new ATOM 0 HG21 ILE B 106 -1.039 6.261 3.363 1.00 44.33 H new ATOM 0 HG22 ILE B 106 -1.855 6.962 1.946 1.00 44.33 H new ATOM 0 HG23 ILE B 106 -2.103 5.249 2.358 1.00 44.33 H new ATOM 0 HD11 ILE B 106 2.323 3.207 1.957 1.00 74.32 H new ATOM 0 HD12 ILE B 106 1.719 3.793 0.389 1.00 74.32 H new ATOM 0 HD13 ILE B 106 2.595 4.898 1.474 1.00 74.32 H new ATOM 1830 N ILE B 107 -1.638 7.409 -0.909 1.00 71.44 N ATOM 1831 CA ILE B 107 -2.747 8.280 -1.349 1.00 5.42 C ATOM 1832 C ILE B 107 -3.422 7.693 -2.614 1.00 3.51 C ATOM 1833 O ILE B 107 -4.655 7.603 -2.698 1.00 50.23 O ATOM 1834 CB ILE B 107 -2.227 9.745 -1.604 1.00 42.10 C ATOM 1835 CG1 ILE B 107 -1.614 10.331 -0.286 1.00 10.43 C ATOM 1836 CG2 ILE B 107 -3.352 10.661 -2.157 1.00 51.23 C ATOM 1837 CD1 ILE B 107 -0.898 11.660 -0.443 1.00 62.20 C ATOM 0 H ILE B 107 -0.720 7.851 -0.965 1.00 71.44 H new ATOM 0 HA ILE B 107 -3.496 8.325 -0.559 1.00 5.42 H new ATOM 0 HB ILE B 107 -1.447 9.705 -2.364 1.00 42.10 H new ATOM 0 HG12 ILE B 107 -2.413 10.451 0.446 1.00 10.43 H new ATOM 0 HG13 ILE B 107 -0.913 9.605 0.124 1.00 10.43 H new ATOM 0 HG21 ILE B 107 -2.957 11.664 -2.321 1.00 51.23 H new ATOM 0 HG22 ILE B 107 -3.719 10.257 -3.100 1.00 51.23 H new ATOM 0 HG23 ILE B 107 -4.170 10.706 -1.438 1.00 51.23 H new ATOM 0 HD11 ILE B 107 -0.510 11.981 0.524 1.00 62.20 H new ATOM 0 HD12 ILE B 107 -0.073 11.548 -1.146 1.00 62.20 H new ATOM 0 HD13 ILE B 107 -1.596 12.407 -0.820 1.00 62.20 H new ATOM 1849 N HIS B 108 -2.581 7.262 -3.564 1.00 64.53 N ATOM 1850 CA HIS B 108 -3.036 6.635 -4.815 1.00 23.42 C ATOM 1851 C HIS B 108 -3.710 5.276 -4.536 1.00 12.23 C ATOM 1852 O HIS B 108 -4.778 4.990 -5.079 1.00 61.14 O ATOM 1853 CB HIS B 108 -1.854 6.460 -5.802 1.00 31.43 C ATOM 1854 CG HIS B 108 -2.258 5.984 -7.179 1.00 22.53 C ATOM 1855 ND1 HIS B 108 -1.476 5.164 -7.954 1.00 61.41 N ATOM 1856 CD2 HIS B 108 -3.373 6.224 -7.913 1.00 71.42 C ATOM 1857 CE1 HIS B 108 -2.087 4.926 -9.098 1.00 74.31 C ATOM 1858 NE2 HIS B 108 -3.237 5.556 -9.092 1.00 44.14 N ATOM 0 H HIS B 108 -1.567 7.338 -3.488 1.00 64.53 H new ATOM 0 HA HIS B 108 -3.773 7.294 -5.273 1.00 23.42 H new ATOM 0 HB2 HIS B 108 -1.332 7.412 -5.898 1.00 31.43 H new ATOM 0 HB3 HIS B 108 -1.144 5.749 -5.378 1.00 31.43 H new ATOM 0 HD2 HIS B 108 -4.214 6.833 -7.617 1.00 71.42 H new ATOM 0 HE1 HIS B 108 -1.705 4.316 -9.903 1.00 74.31 H new ATOM 0 HE2 HIS B 108 -3.920 5.547 -9.849 1.00 44.14 H new ATOM 1867 N ALA B 109 -3.089 4.471 -3.657 1.00 60.23 N ATOM 1868 CA ALA B 109 -3.553 3.107 -3.351 1.00 1.21 C ATOM 1869 C ALA B 109 -4.896 3.127 -2.611 1.00 34.24 C ATOM 1870 O ALA B 109 -5.807 2.423 -3.002 1.00 3.43 O ATOM 1871 CB ALA B 109 -2.508 2.343 -2.535 1.00 74.34 C ATOM 0 H ALA B 109 -2.254 4.746 -3.140 1.00 60.23 H new ATOM 0 HA ALA B 109 -3.696 2.590 -4.300 1.00 1.21 H new ATOM 0 HB1 ALA B 109 -2.875 1.339 -2.322 1.00 74.34 H new ATOM 0 HB2 ALA B 109 -1.580 2.277 -3.103 1.00 74.34 H new ATOM 0 HB3 ALA B 109 -2.323 2.868 -1.598 1.00 74.34 H new ATOM 1877 N ARG B 110 -5.011 3.990 -1.585 1.00 72.34 N ATOM 1878 CA ARG B 110 -6.214 4.084 -0.716 1.00 65.45 C ATOM 1879 C ARG B 110 -7.435 4.552 -1.529 1.00 31.22 C ATOM 1880 O ARG B 110 -8.570 4.122 -1.280 1.00 33.34 O ATOM 1881 CB ARG B 110 -5.946 5.056 0.469 1.00 51.11 C ATOM 1882 CG ARG B 110 -7.085 5.155 1.509 1.00 50.31 C ATOM 1883 CD ARG B 110 -6.785 6.169 2.629 1.00 53.50 C ATOM 1884 NE ARG B 110 -6.556 7.524 2.098 1.00 1.12 N ATOM 1885 CZ ARG B 110 -6.426 8.642 2.832 1.00 63.12 C ATOM 1886 NH1 ARG B 110 -6.501 8.609 4.157 1.00 23.24 N ATOM 1887 NH2 ARG B 110 -6.205 9.797 2.224 1.00 0.40 N ATOM 0 H ARG B 110 -4.274 4.647 -1.329 1.00 72.34 H new ATOM 0 HA ARG B 110 -6.429 3.094 -0.315 1.00 65.45 H new ATOM 0 HB2 ARG B 110 -5.036 4.739 0.979 1.00 51.11 H new ATOM 0 HB3 ARG B 110 -5.756 6.051 0.066 1.00 51.11 H new ATOM 0 HG2 ARG B 110 -8.008 5.441 1.004 1.00 50.31 H new ATOM 0 HG3 ARG B 110 -7.254 4.173 1.950 1.00 50.31 H new ATOM 0 HD2 ARG B 110 -7.618 6.191 3.332 1.00 53.50 H new ATOM 0 HD3 ARG B 110 -5.906 5.844 3.186 1.00 53.50 H new ATOM 0 HE ARG B 110 -6.490 7.622 1.085 1.00 1.12 H new ATOM 0 HH11 ARG B 110 -6.660 7.723 4.637 1.00 23.24 H new ATOM 0 HH12 ARG B 110 -6.399 9.470 4.695 1.00 23.24 H new ATOM 0 HH21 ARG B 110 -6.135 9.833 1.207 1.00 0.40 H new ATOM 0 HH22 ARG B 110 -6.105 10.651 2.773 1.00 0.40 H new ATOM 1901 N ALA B 111 -7.164 5.419 -2.522 1.00 5.31 N ATOM 1902 CA ALA B 111 -8.178 5.915 -3.461 1.00 5.02 C ATOM 1903 C ALA B 111 -8.677 4.767 -4.357 1.00 3.04 C ATOM 1904 O ALA B 111 -9.884 4.609 -4.569 1.00 63.10 O ATOM 1905 CB ALA B 111 -7.592 7.055 -4.310 1.00 64.03 C ATOM 0 H ALA B 111 -6.231 5.794 -2.693 1.00 5.31 H new ATOM 0 HA ALA B 111 -9.027 6.304 -2.899 1.00 5.02 H new ATOM 0 HB1 ALA B 111 -8.350 7.418 -5.004 1.00 64.03 H new ATOM 0 HB2 ALA B 111 -7.277 7.870 -3.658 1.00 64.03 H new ATOM 0 HB3 ALA B 111 -6.733 6.687 -4.871 1.00 64.03 H new ATOM 1911 N LEU B 112 -7.717 3.947 -4.833 1.00 43.42 N ATOM 1912 CA LEU B 112 -8.001 2.792 -5.704 1.00 41.32 C ATOM 1913 C LEU B 112 -8.804 1.717 -4.952 1.00 4.55 C ATOM 1914 O LEU B 112 -9.777 1.205 -5.493 1.00 14.14 O ATOM 1915 CB LEU B 112 -6.696 2.191 -6.293 1.00 70.42 C ATOM 1916 CG LEU B 112 -5.952 3.075 -7.344 1.00 11.35 C ATOM 1917 CD1 LEU B 112 -4.618 2.423 -7.770 1.00 51.20 C ATOM 1918 CD2 LEU B 112 -6.850 3.369 -8.570 1.00 73.13 C ATOM 0 H LEU B 112 -6.726 4.068 -4.624 1.00 43.42 H new ATOM 0 HA LEU B 112 -8.608 3.151 -6.535 1.00 41.32 H new ATOM 0 HB2 LEU B 112 -6.011 1.984 -5.471 1.00 70.42 H new ATOM 0 HB3 LEU B 112 -6.936 1.234 -6.756 1.00 70.42 H new ATOM 0 HG LEU B 112 -5.721 4.030 -6.872 1.00 11.35 H new ATOM 0 HD11 LEU B 112 -4.120 3.059 -8.502 1.00 51.20 H new ATOM 0 HD12 LEU B 112 -3.976 2.303 -6.897 1.00 51.20 H new ATOM 0 HD13 LEU B 112 -4.815 1.446 -8.212 1.00 51.20 H new ATOM 0 HD21 LEU B 112 -6.303 3.986 -9.282 1.00 73.13 H new ATOM 0 HD22 LEU B 112 -7.134 2.431 -9.046 1.00 73.13 H new ATOM 0 HD23 LEU B 112 -7.747 3.898 -8.246 1.00 73.13 H new ATOM 1930 N VAL B 113 -8.409 1.417 -3.691 1.00 0.30 N ATOM 1931 CA VAL B 113 -9.094 0.412 -2.847 1.00 42.12 C ATOM 1932 C VAL B 113 -10.539 0.850 -2.577 1.00 33.24 C ATOM 1933 O VAL B 113 -11.446 0.026 -2.591 1.00 44.35 O ATOM 1934 CB VAL B 113 -8.374 0.163 -1.464 1.00 74.31 C ATOM 1935 CG1 VAL B 113 -9.081 -0.963 -0.662 1.00 2.12 C ATOM 1936 CG2 VAL B 113 -6.881 -0.163 -1.649 1.00 74.12 C ATOM 0 H VAL B 113 -7.613 1.862 -3.235 1.00 0.30 H new ATOM 0 HA VAL B 113 -9.067 -0.524 -3.406 1.00 42.12 H new ATOM 0 HB VAL B 113 -8.444 1.089 -0.894 1.00 74.31 H new ATOM 0 HG11 VAL B 113 -8.565 -1.114 0.286 1.00 2.12 H new ATOM 0 HG12 VAL B 113 -10.116 -0.679 -0.470 1.00 2.12 H new ATOM 0 HG13 VAL B 113 -9.060 -1.888 -1.238 1.00 2.12 H new ATOM 0 HG21 VAL B 113 -6.421 -0.328 -0.675 1.00 74.12 H new ATOM 0 HG22 VAL B 113 -6.777 -1.063 -2.256 1.00 74.12 H new ATOM 0 HG23 VAL B 113 -6.386 0.670 -2.148 1.00 74.12 H new ATOM 1946 N ARG B 114 -10.727 2.164 -2.362 1.00 71.12 N ATOM 1947 CA ARG B 114 -12.048 2.760 -2.109 1.00 30.15 C ATOM 1948 C ARG B 114 -12.970 2.577 -3.336 1.00 65.52 C ATOM 1949 O ARG B 114 -14.158 2.267 -3.197 1.00 54.13 O ATOM 1950 CB ARG B 114 -11.901 4.260 -1.765 1.00 20.30 C ATOM 1951 CG ARG B 114 -13.199 4.931 -1.270 1.00 1.42 C ATOM 1952 CD ARG B 114 -13.044 6.442 -1.055 1.00 75.32 C ATOM 1953 NE ARG B 114 -11.921 6.773 -0.146 1.00 40.13 N ATOM 1954 CZ ARG B 114 -11.113 7.838 -0.278 1.00 13.51 C ATOM 1955 NH1 ARG B 114 -11.290 8.701 -1.274 1.00 52.11 N ATOM 1956 NH2 ARG B 114 -10.117 8.028 0.581 1.00 45.11 N ATOM 0 H ARG B 114 -9.965 2.842 -2.359 1.00 71.12 H new ATOM 0 HA ARG B 114 -12.501 2.249 -1.259 1.00 30.15 H new ATOM 0 HB2 ARG B 114 -11.134 4.371 -0.998 1.00 20.30 H new ATOM 0 HB3 ARG B 114 -11.547 4.790 -2.649 1.00 20.30 H new ATOM 0 HG2 ARG B 114 -13.994 4.752 -1.994 1.00 1.42 H new ATOM 0 HG3 ARG B 114 -13.509 4.466 -0.334 1.00 1.42 H new ATOM 0 HD2 ARG B 114 -12.884 6.928 -2.017 1.00 75.32 H new ATOM 0 HD3 ARG B 114 -13.970 6.844 -0.645 1.00 75.32 H new ATOM 0 HE ARG B 114 -11.749 6.145 0.639 1.00 40.13 H new ATOM 0 HH11 ARG B 114 -12.044 8.557 -1.946 1.00 52.11 H new ATOM 0 HH12 ARG B 114 -10.672 9.507 -1.366 1.00 52.11 H new ATOM 0 HH21 ARG B 114 -9.966 7.365 1.341 1.00 45.11 H new ATOM 0 HH22 ARG B 114 -9.504 8.837 0.480 1.00 45.11 H new ATOM 1970 N GLU B 115 -12.389 2.736 -4.540 1.00 74.33 N ATOM 1971 CA GLU B 115 -13.112 2.527 -5.805 1.00 71.44 C ATOM 1972 C GLU B 115 -13.402 1.031 -6.023 1.00 13.32 C ATOM 1973 O GLU B 115 -14.453 0.664 -6.545 1.00 53.23 O ATOM 1974 CB GLU B 115 -12.308 3.113 -6.996 1.00 30.24 C ATOM 1975 CG GLU B 115 -12.098 4.641 -6.941 1.00 2.31 C ATOM 1976 CD GLU B 115 -13.414 5.437 -6.866 1.00 52.33 C ATOM 1977 OE1 GLU B 115 -14.086 5.584 -7.908 1.00 63.12 O ATOM 1978 OE2 GLU B 115 -13.792 5.897 -5.758 1.00 43.21 O ATOM 0 H GLU B 115 -11.414 3.010 -4.661 1.00 74.33 H new ATOM 0 HA GLU B 115 -14.065 3.052 -5.747 1.00 71.44 H new ATOM 0 HB2 GLU B 115 -11.333 2.627 -7.033 1.00 30.24 H new ATOM 0 HB3 GLU B 115 -12.824 2.864 -7.923 1.00 30.24 H new ATOM 0 HG2 GLU B 115 -11.485 4.885 -6.074 1.00 2.31 H new ATOM 0 HG3 GLU B 115 -11.541 4.956 -7.824 1.00 2.31 H new ATOM 1985 N CYS B 116 -12.461 0.180 -5.591 1.00 25.34 N ATOM 1986 CA CYS B 116 -12.589 -1.284 -5.679 1.00 21.13 C ATOM 1987 C CYS B 116 -13.713 -1.787 -4.761 1.00 15.23 C ATOM 1988 O CYS B 116 -14.480 -2.659 -5.142 1.00 21.05 O ATOM 1989 CB CYS B 116 -11.255 -1.953 -5.306 1.00 14.23 C ATOM 1990 SG CYS B 116 -9.852 -1.419 -6.305 1.00 22.54 S ATOM 0 H CYS B 116 -11.585 0.488 -5.169 1.00 25.34 H new ATOM 0 HA CYS B 116 -12.843 -1.549 -6.706 1.00 21.13 H new ATOM 0 HB2 CYS B 116 -11.039 -1.747 -4.258 1.00 14.23 H new ATOM 0 HB3 CYS B 116 -11.364 -3.033 -5.402 1.00 14.23 H new ATOM 0 HG CYS B 116 -9.235 -2.461 -6.779 1.00 22.54 H new ATOM 1996 N LEU B 117 -13.826 -1.168 -3.568 1.00 11.32 N ATOM 1997 CA LEU B 117 -14.842 -1.519 -2.554 1.00 74.41 C ATOM 1998 C LEU B 117 -16.267 -1.359 -3.092 1.00 5.21 C ATOM 1999 O LEU B 117 -17.165 -2.020 -2.606 1.00 52.01 O ATOM 2000 CB LEU B 117 -14.661 -0.664 -1.266 1.00 54.13 C ATOM 2001 CG LEU B 117 -13.459 -1.046 -0.348 1.00 20.14 C ATOM 2002 CD1 LEU B 117 -13.260 -0.003 0.768 1.00 13.24 C ATOM 2003 CD2 LEU B 117 -13.646 -2.456 0.246 1.00 63.41 C ATOM 0 H LEU B 117 -13.212 -0.407 -3.279 1.00 11.32 H new ATOM 0 HA LEU B 117 -14.693 -2.570 -2.306 1.00 74.41 H new ATOM 0 HB2 LEU B 117 -14.549 0.379 -1.561 1.00 54.13 H new ATOM 0 HB3 LEU B 117 -15.576 -0.733 -0.678 1.00 54.13 H new ATOM 0 HG LEU B 117 -12.559 -1.055 -0.963 1.00 20.14 H new ATOM 0 HD11 LEU B 117 -12.416 -0.295 1.392 1.00 13.24 H new ATOM 0 HD12 LEU B 117 -13.062 0.972 0.323 1.00 13.24 H new ATOM 0 HD13 LEU B 117 -14.161 0.053 1.379 1.00 13.24 H new ATOM 0 HD21 LEU B 117 -12.795 -2.699 0.882 1.00 63.41 H new ATOM 0 HD22 LEU B 117 -14.561 -2.483 0.838 1.00 63.41 H new ATOM 0 HD23 LEU B 117 -13.715 -3.185 -0.562 1.00 63.41 H new ATOM 2015 N ALA B 118 -16.452 -0.456 -4.069 1.00 60.41 N ATOM 2016 CA ALA B 118 -17.754 -0.224 -4.721 1.00 35.34 C ATOM 2017 C ALA B 118 -18.244 -1.470 -5.489 1.00 43.34 C ATOM 2018 O ALA B 118 -19.404 -1.883 -5.335 1.00 41.52 O ATOM 2019 CB ALA B 118 -17.668 0.994 -5.646 1.00 13.45 C ATOM 0 H ALA B 118 -15.703 0.135 -4.430 1.00 60.41 H new ATOM 0 HA ALA B 118 -18.489 -0.024 -3.942 1.00 35.34 H new ATOM 0 HB1 ALA B 118 -18.634 1.157 -6.123 1.00 13.45 H new ATOM 0 HB2 ALA B 118 -17.397 1.875 -5.064 1.00 13.45 H new ATOM 0 HB3 ALA B 118 -16.911 0.818 -6.410 1.00 13.45 H new ATOM 2025 N GLU B 119 -17.361 -2.073 -6.319 1.00 31.54 N ATOM 2026 CA GLU B 119 -17.693 -3.314 -7.056 1.00 52.31 C ATOM 2027 C GLU B 119 -17.630 -4.535 -6.120 1.00 13.02 C ATOM 2028 O GLU B 119 -18.360 -5.506 -6.323 1.00 45.54 O ATOM 2029 CB GLU B 119 -16.750 -3.498 -8.283 1.00 71.51 C ATOM 2030 CG GLU B 119 -15.272 -3.766 -7.941 1.00 23.01 C ATOM 2031 CD GLU B 119 -14.361 -3.860 -9.170 1.00 64.01 C ATOM 2032 OE1 GLU B 119 -14.375 -4.900 -9.861 1.00 34.11 O ATOM 2033 OE2 GLU B 119 -13.640 -2.884 -9.464 1.00 12.21 O ATOM 0 H GLU B 119 -16.419 -1.723 -6.494 1.00 31.54 H new ATOM 0 HA GLU B 119 -18.714 -3.228 -7.429 1.00 52.31 H new ATOM 0 HB2 GLU B 119 -17.122 -4.326 -8.886 1.00 71.51 H new ATOM 0 HB3 GLU B 119 -16.806 -2.602 -8.902 1.00 71.51 H new ATOM 0 HG2 GLU B 119 -14.909 -2.970 -7.291 1.00 23.01 H new ATOM 0 HG3 GLU B 119 -15.202 -4.696 -7.376 1.00 23.01 H new ATOM 2040 N THR B 120 -16.773 -4.461 -5.073 1.00 60.11 N ATOM 2041 CA THR B 120 -16.627 -5.541 -4.072 1.00 25.34 C ATOM 2042 C THR B 120 -17.860 -5.575 -3.140 1.00 2.20 C ATOM 2043 O THR B 120 -18.198 -6.615 -2.562 1.00 11.23 O ATOM 2044 CB THR B 120 -15.315 -5.380 -3.233 1.00 33.14 C ATOM 2045 OG1 THR B 120 -14.195 -5.184 -4.112 1.00 50.05 O ATOM 2046 CG2 THR B 120 -15.038 -6.615 -2.356 1.00 15.51 C ATOM 0 H THR B 120 -16.169 -3.657 -4.901 1.00 60.11 H new ATOM 0 HA THR B 120 -16.559 -6.486 -4.611 1.00 25.34 H new ATOM 0 HB THR B 120 -15.451 -4.516 -2.583 1.00 33.14 H new ATOM 0 HG1 THR B 120 -14.246 -4.291 -4.513 1.00 50.05 H new ATOM 0 HG21 THR B 120 -14.119 -6.461 -1.791 1.00 15.51 H new ATOM 0 HG22 THR B 120 -15.868 -6.764 -1.665 1.00 15.51 H new ATOM 0 HG23 THR B 120 -14.931 -7.495 -2.990 1.00 15.51 H new ATOM 2054 N GLU B 121 -18.525 -4.416 -3.030 1.00 34.45 N ATOM 2055 CA GLU B 121 -19.797 -4.265 -2.315 1.00 34.10 C ATOM 2056 C GLU B 121 -20.920 -4.969 -3.086 1.00 30.13 C ATOM 2057 O GLU B 121 -21.811 -5.591 -2.489 1.00 14.45 O ATOM 2058 CB GLU B 121 -20.124 -2.764 -2.144 1.00 25.33 C ATOM 2059 CG GLU B 121 -21.434 -2.482 -1.411 1.00 51.10 C ATOM 2060 CD GLU B 121 -21.755 -0.993 -1.327 1.00 44.04 C ATOM 2061 OE1 GLU B 121 -22.344 -0.458 -2.280 1.00 21.15 O ATOM 2062 OE2 GLU B 121 -21.411 -0.352 -0.320 1.00 31.40 O ATOM 0 H GLU B 121 -18.188 -3.546 -3.442 1.00 34.45 H new ATOM 0 HA GLU B 121 -19.711 -4.723 -1.330 1.00 34.10 H new ATOM 0 HB2 GLU B 121 -19.308 -2.287 -1.601 1.00 25.33 H new ATOM 0 HB3 GLU B 121 -20.166 -2.299 -3.129 1.00 25.33 H new ATOM 0 HG2 GLU B 121 -22.248 -2.997 -1.921 1.00 51.10 H new ATOM 0 HG3 GLU B 121 -21.378 -2.894 -0.404 1.00 51.10 H new ATOM 2069 N ARG B 122 -20.851 -4.872 -4.428 1.00 75.11 N ATOM 2070 CA ARG B 122 -21.804 -5.547 -5.328 1.00 64.40 C ATOM 2071 C ARG B 122 -21.471 -7.048 -5.410 1.00 22.05 C ATOM 2072 O ARG B 122 -22.337 -7.878 -5.702 1.00 65.43 O ATOM 2073 CB ARG B 122 -21.766 -4.893 -6.733 1.00 23.02 C ATOM 2074 CG ARG B 122 -22.785 -5.491 -7.728 1.00 15.40 C ATOM 2075 CD ARG B 122 -22.703 -4.881 -9.127 1.00 71.10 C ATOM 2076 NE ARG B 122 -23.622 -5.549 -10.057 1.00 24.13 N ATOM 2077 CZ ARG B 122 -23.582 -5.452 -11.390 1.00 60.04 C ATOM 2078 NH1 ARG B 122 -22.666 -4.710 -11.994 1.00 42.14 N ATOM 2079 NH2 ARG B 122 -24.469 -6.108 -12.116 1.00 15.21 N ATOM 0 H ARG B 122 -20.139 -4.328 -4.915 1.00 75.11 H new ATOM 0 HA ARG B 122 -22.813 -5.439 -4.931 1.00 64.40 H new ATOM 0 HB2 ARG B 122 -21.956 -3.825 -6.631 1.00 23.02 H new ATOM 0 HB3 ARG B 122 -20.763 -5.000 -7.146 1.00 23.02 H new ATOM 0 HG2 ARG B 122 -22.623 -6.566 -7.799 1.00 15.40 H new ATOM 0 HG3 ARG B 122 -23.792 -5.346 -7.336 1.00 15.40 H new ATOM 0 HD2 ARG B 122 -22.942 -3.819 -9.077 1.00 71.10 H new ATOM 0 HD3 ARG B 122 -21.682 -4.961 -9.501 1.00 71.10 H new ATOM 0 HE ARG B 122 -24.352 -6.136 -9.653 1.00 24.13 H new ATOM 0 HH11 ARG B 122 -21.976 -4.201 -11.441 1.00 42.14 H new ATOM 0 HH12 ARG B 122 -22.650 -4.648 -13.012 1.00 42.14 H new ATOM 0 HH21 ARG B 122 -25.177 -6.683 -11.659 1.00 15.21 H new ATOM 0 HH22 ARG B 122 -24.446 -6.040 -13.133 1.00 15.21 H new ATOM 2093 N ASN B 123 -20.197 -7.368 -5.132 1.00 70.23 N ATOM 2094 CA ASN B 123 -19.668 -8.739 -5.055 1.00 12.24 C ATOM 2095 C ASN B 123 -20.067 -9.365 -3.687 1.00 43.11 C ATOM 2096 O ASN B 123 -19.223 -9.670 -2.829 1.00 3.01 O ATOM 2097 CB ASN B 123 -18.125 -8.666 -5.240 1.00 15.43 C ATOM 2098 CG ASN B 123 -17.408 -10.004 -5.252 1.00 73.42 C ATOM 2099 OD1 ASN B 123 -17.905 -10.984 -5.801 1.00 62.43 O ATOM 2100 ND2 ASN B 123 -16.251 -10.059 -4.610 1.00 31.23 N ATOM 0 H ASN B 123 -19.486 -6.660 -4.949 1.00 70.23 H new ATOM 0 HA ASN B 123 -20.083 -9.375 -5.836 1.00 12.24 H new ATOM 0 HB2 ASN B 123 -17.912 -8.150 -6.176 1.00 15.43 H new ATOM 0 HB3 ASN B 123 -17.708 -8.056 -4.438 1.00 15.43 H new ATOM 0 HD21 ASN B 123 -15.738 -10.939 -4.558 1.00 31.23 H new ATOM 0 HD22 ASN B 123 -15.873 -9.221 -4.167 1.00 31.23 H new ATOM 2107 N ALA B 124 -21.382 -9.512 -3.484 1.00 0.33 N ATOM 2108 CA ALA B 124 -21.967 -10.026 -2.240 1.00 20.32 C ATOM 2109 C ALA B 124 -22.283 -11.507 -2.401 1.00 11.42 C ATOM 2110 O ALA B 124 -23.328 -11.868 -2.959 1.00 64.41 O ATOM 2111 CB ALA B 124 -23.225 -9.223 -1.882 1.00 33.43 C ATOM 0 H ALA B 124 -22.079 -9.274 -4.189 1.00 0.33 H new ATOM 0 HA ALA B 124 -21.254 -9.914 -1.423 1.00 20.32 H new ATOM 0 HB1 ALA B 124 -23.653 -9.611 -0.958 1.00 33.43 H new ATOM 0 HB2 ALA B 124 -22.961 -8.174 -1.748 1.00 33.43 H new ATOM 0 HB3 ALA B 124 -23.955 -9.313 -2.686 1.00 33.43 H new ATOM 2117 N ARG B 125 -21.356 -12.359 -1.948 1.00 63.54 N ATOM 2118 CA ARG B 125 -21.515 -13.816 -2.031 1.00 50.12 C ATOM 2119 C ARG B 125 -22.642 -14.271 -1.091 1.00 15.43 C ATOM 2120 O ARG B 125 -23.427 -15.154 -1.422 1.00 2.03 O ATOM 2121 CB ARG B 125 -20.185 -14.537 -1.673 1.00 52.34 C ATOM 2122 CG ARG B 125 -20.041 -15.934 -2.313 1.00 33.22 C ATOM 2123 CD ARG B 125 -19.780 -15.837 -3.825 1.00 12.14 C ATOM 2124 NE ARG B 125 -18.487 -15.183 -4.100 1.00 53.33 N ATOM 2125 CZ ARG B 125 -18.307 -14.018 -4.740 1.00 24.25 C ATOM 2126 NH1 ARG B 125 -19.336 -13.324 -5.216 1.00 44.41 N ATOM 2127 NH2 ARG B 125 -17.088 -13.532 -4.856 1.00 60.45 N ATOM 0 H ARG B 125 -20.481 -12.061 -1.517 1.00 63.54 H new ATOM 0 HA ARG B 125 -21.777 -14.081 -3.055 1.00 50.12 H new ATOM 0 HB2 ARG B 125 -19.348 -13.914 -1.990 1.00 52.34 H new ATOM 0 HB3 ARG B 125 -20.116 -14.635 -0.590 1.00 52.34 H new ATOM 0 HG2 ARG B 125 -19.222 -16.472 -1.835 1.00 33.22 H new ATOM 0 HG3 ARG B 125 -20.948 -16.512 -2.136 1.00 33.22 H new ATOM 0 HD2 ARG B 125 -19.787 -16.835 -4.263 1.00 12.14 H new ATOM 0 HD3 ARG B 125 -20.584 -15.275 -4.301 1.00 12.14 H new ATOM 0 HE ARG B 125 -17.649 -15.663 -3.772 1.00 53.33 H new ATOM 0 HH11 ARG B 125 -20.286 -13.675 -5.098 1.00 44.41 H new ATOM 0 HH12 ARG B 125 -19.175 -12.440 -5.699 1.00 44.41 H new ATOM 0 HH21 ARG B 125 -16.297 -14.041 -4.462 1.00 60.45 H new ATOM 0 HH22 ARG B 125 -16.936 -12.647 -5.340 1.00 60.45 H new ATOM 2141 N THR B 126 -22.686 -13.641 0.089 1.00 62.41 N ATOM 2142 CA THR B 126 -23.738 -13.842 1.084 1.00 75.45 C ATOM 2143 C THR B 126 -24.766 -12.688 0.961 1.00 12.55 C ATOM 2144 O THR B 126 -25.843 -12.909 0.381 1.00 74.10 O ATOM 2145 CB THR B 126 -23.125 -13.933 2.528 1.00 53.41 C ATOM 2146 OG1 THR B 126 -22.244 -12.818 2.764 1.00 74.53 O ATOM 2147 CG2 THR B 126 -22.354 -15.251 2.742 1.00 61.04 C ATOM 2148 OXT THR B 126 -24.466 -11.550 1.396 1.00 37.79 O ATOM 0 H THR B 126 -21.978 -12.967 0.381 1.00 62.41 H new ATOM 0 HA THR B 126 -24.250 -14.787 0.902 1.00 75.45 H new ATOM 0 HB THR B 126 -23.954 -13.907 3.236 1.00 53.41 H new ATOM 0 HG1 THR B 126 -22.632 -12.007 2.375 1.00 74.53 H new ATOM 0 HG21 THR B 126 -21.946 -15.274 3.753 1.00 61.04 H new ATOM 0 HG22 THR B 126 -23.030 -16.095 2.604 1.00 61.04 H new ATOM 0 HG23 THR B 126 -21.540 -15.317 2.021 1.00 61.04 H new TER 2156 THR B 126