USER MOD reduce.3.24.130724 H: found=0, std=0, add=1086, rem=0, adj=39 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 68 GLN : amide:sc= -0.0637 X(o=-0.064,f=-0.17) USER MOD Set 1.2: B 72 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 123 ASN :FLIP amide:sc= 0.87 F(o=-0.0061,f=1.3) USER MOD Set 2.2: A 126 THR OG1 : rot -113:sc= 0.261 USER MOD Set 2.3: B 123 ASN :FLIP amide:sc= 0.169 X(o=0.96,f=1.3) USER MOD Set 3.1: A 116 CYS SG : rot 151:sc= 2.44 USER MOD Set 3.2: A 120 THR OG1 : rot 146:sc= 0.968 USER MOD Set 3.3: B 74 TYR OH : rot -40:sc= -1.86! USER MOD Set 4.1: A 84 MET CE :methyl -174:sc= -0.924 (180deg=-0.99) USER MOD Set 4.2: B 84 MET CE :methyl 174:sc= -2.02 (180deg=-2.09!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 HIS : no HD1:sc= -0.14 X(o=-0.14,f=-0.26) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 164:sc= -0.0894 (180deg=-0.351) USER MOD Single : A 68 GLN : amide:sc= -0.0154 X(o=-0.015,f=0.068) USER MOD Single : A 70 SER OG : rot 110:sc= 0.508 USER MOD Single : A 71 GLN : amide:sc= -0.503 K(o=-0.5,f=-2.2) 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 74 TYR OH : rot 40:sc= -0.951! USER MOD Single : A 75 THR OG1 : rot 71:sc= 0.222 USER MOD Single : A 79 SER OG : rot 77:sc= 0.0405 USER MOD Single : A 86 LYS NZ :NH3+ -131:sc= -0.0419 (180deg=-1.49) USER MOD Single : A 91 THR OG1 : rot 69:sc= 1.23 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00235) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl 132:sc= -0.257 (180deg=-0.841) USER MOD Single : A 103 LYS NZ :NH3+ -172:sc= 0.582 (180deg=0.55) USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=-0.0032) USER MOD Single : B 58 SER OG : rot -43:sc= 0.0936 USER MOD Single : B 59 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 70 SER OG : rot 180:sc= 0 USER MOD Single : B 71 GLN : amide:sc= -0.0854 K(o=-0.085,f=-4.2!) USER MOD Single : B 73 THR OG1 : rot 180:sc= 0 USER MOD Single : B 75 THR OG1 : rot 57:sc= -0.125 USER MOD Single : B 79 SER OG : rot 180:sc= 0 USER MOD Single : B 86 LYS NZ :NH3+ -166:sc= -2.98! (180deg=-4.42!) USER MOD Single : B 91 THR OG1 : rot 90:sc= 1.12 USER MOD Single : B 92 TYR OH : rot -45:sc= -0.0926 USER MOD Single : B 95 SER OG : rot 180:sc= 0 USER MOD Single : B 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 97 SER OG : rot 180:sc= 0 USER MOD Single : B 99 MET CE :methyl 143:sc= -0.373 (180deg=-1.74) USER MOD Single : B 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 108 HIS : no HD1:sc= -0.0532 X(o=-0.053,f=-0.049) USER MOD Single : B 116 CYS SG : rot 84:sc= 1.02 USER MOD Single : B 120 THR OG1 : rot 80:sc= 1.15 USER MOD Single : B 126 THR OG1 : rot -108:sc= 0.61 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 58 -10.690 17.890 1.222 1.00 14.44 N ATOM 2 CA SER A 58 -10.212 19.168 1.799 1.00 30.44 C ATOM 3 C SER A 58 -10.390 19.147 3.327 1.00 44.15 C ATOM 4 O SER A 58 -9.404 19.114 4.076 1.00 13.12 O ATOM 5 CB SER A 58 -10.958 20.361 1.144 1.00 13.14 C ATOM 6 OG SER A 58 -10.445 21.605 1.583 1.00 13.14 O ATOM 0 HA SER A 58 -9.150 19.292 1.589 1.00 30.44 H new ATOM 0 HB2 SER A 58 -10.870 20.294 0.060 1.00 13.14 H new ATOM 0 HB3 SER A 58 -12.020 20.301 1.382 1.00 13.14 H new ATOM 0 HG SER A 58 -10.937 22.333 1.149 1.00 13.14 H new ATOM 14 N HIS A 59 -11.651 19.153 3.787 1.00 42.15 N ATOM 15 CA HIS A 59 -12.000 19.000 5.217 1.00 11.03 C ATOM 16 C HIS A 59 -12.483 17.564 5.458 1.00 50.20 C ATOM 17 O HIS A 59 -12.917 16.910 4.507 1.00 75.00 O ATOM 18 CB HIS A 59 -13.097 20.022 5.632 1.00 43.45 C ATOM 19 CG HIS A 59 -13.522 19.923 7.083 1.00 63.41 C ATOM 20 ND1 HIS A 59 -14.606 19.176 7.507 1.00 50.04 N ATOM 21 CD2 HIS A 59 -12.973 20.446 8.208 1.00 51.50 C ATOM 22 CE1 HIS A 59 -14.699 19.242 8.817 1.00 14.43 C ATOM 23 NE2 HIS A 59 -13.734 20.006 9.263 1.00 71.34 N ATOM 0 H HIS A 59 -12.463 19.264 3.180 1.00 42.15 H new ATOM 0 HA HIS A 59 -11.118 19.198 5.827 1.00 11.03 H new ATOM 0 HB2 HIS A 59 -12.729 21.030 5.441 1.00 43.45 H new ATOM 0 HB3 HIS A 59 -13.972 19.876 4.998 1.00 43.45 H new ATOM 0 HD2 HIS A 59 -12.104 21.085 8.263 1.00 51.50 H new ATOM 0 HE1 HIS A 59 -15.445 18.749 9.423 1.00 14.43 H new ATOM 0 HE2 HIS A 59 -13.572 20.239 10.243 1.00 71.34 H new ATOM 32 N MET A 60 -12.379 17.087 6.725 1.00 50.21 N ATOM 33 CA MET A 60 -12.888 15.766 7.140 1.00 23.13 C ATOM 34 C MET A 60 -14.350 15.587 6.674 1.00 24.13 C ATOM 35 O MET A 60 -15.275 16.147 7.273 1.00 2.24 O ATOM 36 CB MET A 60 -12.773 15.581 8.681 1.00 11.02 C ATOM 37 CG MET A 60 -13.304 14.231 9.193 1.00 11.13 C ATOM 38 SD MET A 60 -13.214 14.060 10.989 1.00 53.11 S ATOM 39 CE MET A 60 -13.946 12.437 11.225 1.00 44.15 C ATOM 0 H MET A 60 -11.940 17.611 7.482 1.00 50.21 H new ATOM 0 HA MET A 60 -12.275 14.999 6.667 1.00 23.13 H new ATOM 0 HB2 MET A 60 -11.727 15.681 8.971 1.00 11.02 H new ATOM 0 HB3 MET A 60 -13.319 16.385 9.174 1.00 11.02 H new ATOM 0 HG2 MET A 60 -14.340 14.112 8.876 1.00 11.13 H new ATOM 0 HG3 MET A 60 -12.734 13.425 8.730 1.00 11.13 H new ATOM 0 HE1 MET A 60 -13.958 12.194 12.288 1.00 44.15 H new ATOM 0 HE2 MET A 60 -14.966 12.439 10.841 1.00 44.15 H new ATOM 0 HE3 MET A 60 -13.358 11.691 10.690 1.00 44.15 H new ATOM 49 N ALA A 61 -14.504 14.848 5.566 1.00 70.14 N ATOM 50 CA ALA A 61 -15.786 14.642 4.882 1.00 43.54 C ATOM 51 C ALA A 61 -15.605 13.544 3.829 1.00 10.22 C ATOM 52 O ALA A 61 -15.389 13.815 2.639 1.00 41.53 O ATOM 53 CB ALA A 61 -16.304 15.952 4.249 1.00 12.01 C ATOM 0 H ALA A 61 -13.726 14.369 5.113 1.00 70.14 H new ATOM 0 HA ALA A 61 -16.539 14.330 5.606 1.00 43.54 H new ATOM 0 HB1 ALA A 61 -17.255 15.764 3.751 1.00 12.01 H new ATOM 0 HB2 ALA A 61 -16.444 16.702 5.028 1.00 12.01 H new ATOM 0 HB3 ALA A 61 -15.579 16.316 3.521 1.00 12.01 H new ATOM 59 N MET A 62 -15.631 12.302 4.305 1.00 60.33 N ATOM 60 CA MET A 62 -15.433 11.099 3.485 1.00 24.01 C ATOM 61 C MET A 62 -16.109 9.905 4.175 1.00 21.05 C ATOM 62 O MET A 62 -16.666 10.043 5.276 1.00 1.53 O ATOM 63 CB MET A 62 -13.909 10.814 3.278 1.00 3.21 C ATOM 64 CG MET A 62 -13.164 10.350 4.544 1.00 24.21 C ATOM 65 SD MET A 62 -11.387 10.144 4.286 1.00 45.41 S ATOM 66 CE MET A 62 -10.860 9.594 5.912 1.00 1.44 C ATOM 0 H MET A 62 -15.793 12.094 5.290 1.00 60.33 H new ATOM 0 HA MET A 62 -15.881 11.257 2.504 1.00 24.01 H new ATOM 0 HB2 MET A 62 -13.797 10.052 2.507 1.00 3.21 H new ATOM 0 HB3 MET A 62 -13.431 11.719 2.903 1.00 3.21 H new ATOM 0 HG2 MET A 62 -13.328 11.075 5.341 1.00 24.21 H new ATOM 0 HG3 MET A 62 -13.588 9.404 4.882 1.00 24.21 H new ATOM 0 HE1 MET A 62 -9.783 9.425 5.908 1.00 1.44 H new ATOM 0 HE2 MET A 62 -11.105 10.357 6.651 1.00 1.44 H new ATOM 0 HE3 MET A 62 -11.372 8.665 6.165 1.00 1.44 H new ATOM 76 N LYS A 63 -16.039 8.737 3.535 1.00 30.02 N ATOM 77 CA LYS A 63 -16.584 7.494 4.088 1.00 33.31 C ATOM 78 C LYS A 63 -15.768 6.306 3.579 1.00 64.32 C ATOM 79 O LYS A 63 -15.952 5.890 2.437 1.00 10.23 O ATOM 80 CB LYS A 63 -18.085 7.335 3.714 1.00 22.30 C ATOM 81 CG LYS A 63 -18.733 6.024 4.213 1.00 71.11 C ATOM 82 CD LYS A 63 -20.248 5.949 3.929 1.00 33.03 C ATOM 83 CE LYS A 63 -20.870 4.673 4.517 1.00 31.05 C ATOM 84 NZ LYS A 63 -20.672 4.589 5.999 1.00 63.42 N ATOM 0 H LYS A 63 -15.604 8.625 2.619 1.00 30.02 H new ATOM 0 HA LYS A 63 -16.516 7.530 5.175 1.00 33.31 H new ATOM 0 HB2 LYS A 63 -18.640 8.179 4.124 1.00 22.30 H new ATOM 0 HB3 LYS A 63 -18.184 7.385 2.630 1.00 22.30 H new ATOM 0 HG2 LYS A 63 -18.238 5.177 3.737 1.00 71.11 H new ATOM 0 HG3 LYS A 63 -18.566 5.929 5.286 1.00 71.11 H new ATOM 0 HD2 LYS A 63 -20.742 6.824 4.352 1.00 33.03 H new ATOM 0 HD3 LYS A 63 -20.419 5.976 2.853 1.00 33.03 H new ATOM 0 HE2 LYS A 63 -21.936 4.651 4.291 1.00 31.05 H new ATOM 0 HE3 LYS A 63 -20.425 3.799 4.041 1.00 31.05 H new ATOM 0 HZ1 LYS A 63 -21.320 3.879 6.396 1.00 63.42 H new ATOM 0 HZ2 LYS A 63 -19.690 4.314 6.203 1.00 63.42 H new ATOM 0 HZ3 LYS A 63 -20.868 5.516 6.429 1.00 63.42 H new ATOM 98 N PRO A 64 -14.785 5.785 4.378 1.00 64.24 N ATOM 99 CA PRO A 64 -14.132 4.495 4.082 1.00 5.32 C ATOM 100 C PRO A 64 -15.158 3.345 4.244 1.00 45.31 C ATOM 101 O PRO A 64 -15.602 3.101 5.372 1.00 12.33 O ATOM 102 CB PRO A 64 -12.980 4.408 5.134 1.00 52.22 C ATOM 103 CG PRO A 64 -12.835 5.802 5.679 1.00 43.41 C ATOM 104 CD PRO A 64 -14.214 6.412 5.601 1.00 32.21 C ATOM 0 HA PRO A 64 -13.750 4.416 3.064 1.00 5.32 H new ATOM 0 HB2 PRO A 64 -13.223 3.699 5.926 1.00 52.22 H new ATOM 0 HB3 PRO A 64 -12.052 4.067 4.674 1.00 52.22 H new ATOM 0 HG2 PRO A 64 -12.471 5.786 6.706 1.00 43.41 H new ATOM 0 HG3 PRO A 64 -12.117 6.379 5.095 1.00 43.41 H new ATOM 0 HD2 PRO A 64 -14.807 6.184 6.487 1.00 32.21 H new ATOM 0 HD3 PRO A 64 -14.171 7.498 5.516 1.00 32.21 H new ATOM 112 N PRO A 65 -15.607 2.678 3.123 1.00 3.21 N ATOM 113 CA PRO A 65 -16.666 1.634 3.168 1.00 74.01 C ATOM 114 C PRO A 65 -16.280 0.428 4.046 1.00 45.31 C ATOM 115 O PRO A 65 -15.741 -0.569 3.555 1.00 3.03 O ATOM 116 CB PRO A 65 -16.862 1.236 1.672 1.00 22.32 C ATOM 117 CG PRO A 65 -16.318 2.403 0.904 1.00 15.11 C ATOM 118 CD PRO A 65 -15.144 2.892 1.724 1.00 22.03 C ATOM 0 HA PRO A 65 -17.583 2.002 3.628 1.00 74.01 H new ATOM 0 HB2 PRO A 65 -16.327 0.317 1.431 1.00 22.32 H new ATOM 0 HB3 PRO A 65 -17.913 1.063 1.441 1.00 22.32 H new ATOM 0 HG2 PRO A 65 -16.005 2.106 -0.097 1.00 15.11 H new ATOM 0 HG3 PRO A 65 -17.070 3.183 0.785 1.00 15.11 H new ATOM 0 HD2 PRO A 65 -14.237 2.328 1.508 1.00 22.03 H new ATOM 0 HD3 PRO A 65 -14.922 3.941 1.527 1.00 22.03 H new ATOM 126 N GLY A 66 -16.540 0.574 5.360 1.00 61.11 N ATOM 127 CA GLY A 66 -16.259 -0.457 6.352 1.00 11.32 C ATOM 128 C GLY A 66 -17.253 -1.599 6.266 1.00 54.23 C ATOM 129 O GLY A 66 -18.256 -1.613 6.997 1.00 22.33 O ATOM 0 H GLY A 66 -16.953 1.419 5.755 1.00 61.11 H new ATOM 0 HA2 GLY A 66 -15.250 -0.840 6.203 1.00 11.32 H new ATOM 0 HA3 GLY A 66 -16.291 -0.021 7.350 1.00 11.32 H new ATOM 133 N ALA A 67 -16.991 -2.530 5.342 1.00 10.24 N ATOM 134 CA ALA A 67 -17.828 -3.708 5.125 1.00 34.22 C ATOM 135 C ALA A 67 -17.813 -4.622 6.360 1.00 73.42 C ATOM 136 O ALA A 67 -16.739 -4.939 6.888 1.00 42.33 O ATOM 137 CB ALA A 67 -17.350 -4.445 3.880 1.00 1.52 C ATOM 0 H ALA A 67 -16.184 -2.484 4.720 1.00 10.24 H new ATOM 0 HA ALA A 67 -18.860 -3.394 4.969 1.00 34.22 H new ATOM 0 HB1 ALA A 67 -17.973 -5.324 3.716 1.00 1.52 H new ATOM 0 HB2 ALA A 67 -17.421 -3.784 3.016 1.00 1.52 H new ATOM 0 HB3 ALA A 67 -16.314 -4.755 4.016 1.00 1.52 H new ATOM 143 N GLN A 68 -19.014 -5.038 6.801 1.00 74.33 N ATOM 144 CA GLN A 68 -19.213 -5.716 8.094 1.00 73.11 C ATOM 145 C GLN A 68 -18.709 -7.181 8.082 1.00 55.20 C ATOM 146 O GLN A 68 -18.067 -7.620 9.042 1.00 42.50 O ATOM 147 CB GLN A 68 -20.716 -5.640 8.500 1.00 42.34 C ATOM 148 CG GLN A 68 -21.071 -6.239 9.881 1.00 52.43 C ATOM 149 CD GLN A 68 -20.291 -5.622 11.053 1.00 70.33 C ATOM 150 OE1 GLN A 68 -19.245 -6.134 11.460 1.00 40.31 O ATOM 151 NE2 GLN A 68 -20.774 -4.508 11.588 1.00 35.45 N ATOM 0 H GLN A 68 -19.875 -4.913 6.269 1.00 74.33 H new ATOM 0 HA GLN A 68 -18.612 -5.195 8.839 1.00 73.11 H new ATOM 0 HB2 GLN A 68 -21.024 -4.594 8.489 1.00 42.34 H new ATOM 0 HB3 GLN A 68 -21.305 -6.154 7.740 1.00 42.34 H new ATOM 0 HG2 GLN A 68 -22.138 -6.106 10.059 1.00 52.43 H new ATOM 0 HG3 GLN A 68 -20.883 -7.312 9.859 1.00 52.43 H new ATOM 0 HE21 GLN A 68 -21.641 -4.106 11.232 1.00 35.45 H new ATOM 0 HE22 GLN A 68 -20.278 -4.054 12.355 1.00 35.45 H new ATOM 160 N GLY A 69 -18.975 -7.929 6.987 1.00 14.11 N ATOM 161 CA GLY A 69 -18.661 -9.367 6.947 1.00 44.03 C ATOM 162 C GLY A 69 -18.159 -9.861 5.588 1.00 11.01 C ATOM 163 O GLY A 69 -17.039 -10.369 5.490 1.00 41.42 O ATOM 0 H GLY A 69 -19.400 -7.564 6.134 1.00 14.11 H new ATOM 0 HA2 GLY A 69 -17.905 -9.584 7.702 1.00 44.03 H new ATOM 0 HA3 GLY A 69 -19.554 -9.930 7.219 1.00 44.03 H new ATOM 167 N SER A 70 -18.989 -9.697 4.544 1.00 22.23 N ATOM 168 CA SER A 70 -18.737 -10.243 3.192 1.00 22.43 C ATOM 169 C SER A 70 -17.475 -9.628 2.546 1.00 32.02 C ATOM 170 O SER A 70 -16.453 -10.304 2.384 1.00 60.02 O ATOM 171 CB SER A 70 -19.985 -10.000 2.312 1.00 23.25 C ATOM 172 OG SER A 70 -19.814 -10.483 0.995 1.00 12.14 O ATOM 0 H SER A 70 -19.864 -9.177 4.612 1.00 22.23 H new ATOM 0 HA SER A 70 -18.551 -11.314 3.277 1.00 22.43 H new ATOM 0 HB2 SER A 70 -20.848 -10.487 2.766 1.00 23.25 H new ATOM 0 HB3 SER A 70 -20.202 -8.932 2.280 1.00 23.25 H new ATOM 0 HG SER A 70 -20.384 -11.268 0.858 1.00 12.14 H new ATOM 178 N GLN A 71 -17.549 -8.330 2.218 1.00 71.32 N ATOM 179 CA GLN A 71 -16.462 -7.602 1.526 1.00 1.23 C ATOM 180 C GLN A 71 -15.370 -7.144 2.525 1.00 1.50 C ATOM 181 O GLN A 71 -14.386 -6.518 2.126 1.00 62.34 O ATOM 182 CB GLN A 71 -17.088 -6.407 0.751 1.00 32.05 C ATOM 183 CG GLN A 71 -16.123 -5.611 -0.148 1.00 25.04 C ATOM 184 CD GLN A 71 -16.837 -4.567 -0.997 1.00 73.21 C ATOM 185 OE1 GLN A 71 -17.212 -4.831 -2.123 1.00 45.04 O ATOM 186 NE2 GLN A 71 -17.062 -3.385 -0.447 1.00 44.25 N ATOM 0 H GLN A 71 -18.363 -7.750 2.423 1.00 71.32 H new ATOM 0 HA GLN A 71 -15.963 -8.262 0.817 1.00 1.23 H new ATOM 0 HB2 GLN A 71 -17.902 -6.786 0.132 1.00 32.05 H new ATOM 0 HB3 GLN A 71 -17.530 -5.721 1.474 1.00 32.05 H new ATOM 0 HG2 GLN A 71 -15.376 -5.118 0.474 1.00 25.04 H new ATOM 0 HG3 GLN A 71 -15.589 -6.301 -0.801 1.00 25.04 H new ATOM 0 HE21 GLN A 71 -16.735 -3.193 0.500 1.00 44.25 H new ATOM 0 HE22 GLN A 71 -17.562 -2.666 -0.970 1.00 44.25 H new ATOM 195 N SER A 72 -15.556 -7.477 3.824 1.00 51.24 N ATOM 196 CA SER A 72 -14.609 -7.156 4.919 1.00 52.03 C ATOM 197 C SER A 72 -13.149 -7.527 4.575 1.00 1.44 C ATOM 198 O SER A 72 -12.239 -6.751 4.851 1.00 61.11 O ATOM 199 CB SER A 72 -15.058 -7.876 6.210 1.00 11.52 C ATOM 200 OG SER A 72 -14.211 -7.569 7.306 1.00 13.52 O ATOM 0 H SER A 72 -16.381 -7.984 4.146 1.00 51.24 H new ATOM 0 HA SER A 72 -14.627 -6.076 5.066 1.00 52.03 H new ATOM 0 HB2 SER A 72 -16.082 -7.588 6.450 1.00 11.52 H new ATOM 0 HB3 SER A 72 -15.061 -8.953 6.043 1.00 11.52 H new ATOM 0 HG SER A 72 -14.526 -8.041 8.105 1.00 13.52 H new ATOM 206 N THR A 73 -12.965 -8.723 3.985 1.00 53.01 N ATOM 207 CA THR A 73 -11.658 -9.223 3.505 1.00 74.01 C ATOM 208 C THR A 73 -10.945 -8.205 2.570 1.00 32.22 C ATOM 209 O THR A 73 -9.738 -7.961 2.699 1.00 14.11 O ATOM 210 CB THR A 73 -11.863 -10.590 2.770 1.00 50.53 C ATOM 211 OG1 THR A 73 -12.579 -11.489 3.631 1.00 32.24 O ATOM 212 CG2 THR A 73 -10.539 -11.249 2.324 1.00 33.41 C ATOM 0 H THR A 73 -13.729 -9.380 3.825 1.00 53.01 H new ATOM 0 HA THR A 73 -11.012 -9.362 4.372 1.00 74.01 H new ATOM 0 HB THR A 73 -12.431 -10.382 1.864 1.00 50.53 H new ATOM 0 HG1 THR A 73 -12.711 -12.345 3.173 1.00 32.24 H new ATOM 0 HG21 THR A 73 -10.753 -12.192 1.822 1.00 33.41 H new ATOM 0 HG22 THR A 73 -10.014 -10.584 1.638 1.00 33.41 H new ATOM 0 HG23 THR A 73 -9.914 -11.437 3.197 1.00 33.41 H new ATOM 220 N TYR A 74 -11.717 -7.608 1.645 1.00 70.44 N ATOM 221 CA TYR A 74 -11.204 -6.600 0.696 1.00 22.32 C ATOM 222 C TYR A 74 -11.094 -5.206 1.360 1.00 23.13 C ATOM 223 O TYR A 74 -10.262 -4.379 0.976 1.00 23.51 O ATOM 224 CB TYR A 74 -12.129 -6.555 -0.543 1.00 72.04 C ATOM 225 CG TYR A 74 -11.666 -5.593 -1.634 1.00 43.24 C ATOM 226 CD1 TYR A 74 -10.340 -5.581 -2.055 1.00 11.53 C ATOM 227 CD2 TYR A 74 -12.536 -4.684 -2.224 1.00 45.24 C ATOM 228 CE1 TYR A 74 -9.912 -4.694 -3.006 1.00 71.31 C ATOM 229 CE2 TYR A 74 -12.107 -3.800 -3.188 1.00 22.24 C ATOM 230 CZ TYR A 74 -10.793 -3.809 -3.570 1.00 61.44 C ATOM 231 OH TYR A 74 -10.345 -2.906 -4.494 1.00 2.22 O ATOM 0 H TYR A 74 -12.711 -7.809 1.533 1.00 70.44 H new ATOM 0 HA TYR A 74 -10.199 -6.884 0.385 1.00 22.32 H new ATOM 0 HB2 TYR A 74 -12.202 -7.557 -0.965 1.00 72.04 H new ATOM 0 HB3 TYR A 74 -13.132 -6.270 -0.224 1.00 72.04 H new ATOM 0 HD1 TYR A 74 -9.639 -6.281 -1.626 1.00 11.53 H new ATOM 0 HD2 TYR A 74 -13.572 -4.671 -1.919 1.00 45.24 H new ATOM 0 HE1 TYR A 74 -8.876 -4.692 -3.313 1.00 71.31 H new ATOM 0 HE2 TYR A 74 -12.801 -3.106 -3.639 1.00 22.24 H new ATOM 0 HH TYR A 74 -9.695 -3.339 -5.086 1.00 2.22 H new ATOM 241 N THR A 75 -11.962 -4.958 2.345 1.00 61.53 N ATOM 242 CA THR A 75 -11.976 -3.708 3.122 1.00 70.31 C ATOM 243 C THR A 75 -10.734 -3.619 4.033 1.00 32.04 C ATOM 244 O THR A 75 -10.268 -2.510 4.360 1.00 65.03 O ATOM 245 CB THR A 75 -13.299 -3.597 3.942 1.00 31.04 C ATOM 246 OG1 THR A 75 -14.417 -3.682 3.043 1.00 43.12 O ATOM 247 CG2 THR A 75 -13.399 -2.288 4.737 1.00 3.43 C ATOM 0 H THR A 75 -12.682 -5.622 2.630 1.00 61.53 H new ATOM 0 HA THR A 75 -11.937 -2.864 2.433 1.00 70.31 H new ATOM 0 HB THR A 75 -13.304 -4.417 4.660 1.00 31.04 H new ATOM 0 HG1 THR A 75 -14.492 -4.597 2.700 1.00 43.12 H new ATOM 0 HG21 THR A 75 -14.340 -2.267 5.287 1.00 3.43 H new ATOM 0 HG22 THR A 75 -12.567 -2.224 5.438 1.00 3.43 H new ATOM 0 HG23 THR A 75 -13.361 -1.442 4.051 1.00 3.43 H new ATOM 255 N ASP A 76 -10.184 -4.800 4.407 1.00 43.12 N ATOM 256 CA ASP A 76 -8.886 -4.892 5.092 1.00 34.13 C ATOM 257 C ASP A 76 -7.813 -4.162 4.275 1.00 14.41 C ATOM 258 O ASP A 76 -7.041 -3.398 4.830 1.00 71.45 O ATOM 259 CB ASP A 76 -8.449 -6.370 5.326 1.00 51.20 C ATOM 260 CG ASP A 76 -9.174 -7.076 6.487 1.00 24.33 C ATOM 261 OD1 ASP A 76 -8.952 -6.690 7.654 1.00 60.30 O ATOM 262 OD2 ASP A 76 -9.931 -8.039 6.250 1.00 11.51 O ATOM 0 H ASP A 76 -10.628 -5.703 4.241 1.00 43.12 H new ATOM 0 HA ASP A 76 -8.998 -4.421 6.068 1.00 34.13 H new ATOM 0 HB2 ASP A 76 -8.621 -6.935 4.410 1.00 51.20 H new ATOM 0 HB3 ASP A 76 -7.376 -6.392 5.518 1.00 51.20 H new ATOM 267 N LEU A 77 -7.825 -4.385 2.941 1.00 14.30 N ATOM 268 CA LEU A 77 -6.852 -3.785 2.007 1.00 52.41 C ATOM 269 C LEU A 77 -6.851 -2.250 2.108 1.00 21.32 C ATOM 270 O LEU A 77 -5.787 -1.647 2.258 1.00 70.23 O ATOM 271 CB LEU A 77 -7.149 -4.246 0.557 1.00 53.21 C ATOM 272 CG LEU A 77 -6.221 -3.671 -0.558 1.00 32.25 C ATOM 273 CD1 LEU A 77 -4.735 -3.927 -0.267 1.00 34.11 C ATOM 274 CD2 LEU A 77 -6.618 -4.226 -1.935 1.00 51.44 C ATOM 0 H LEU A 77 -8.511 -4.986 2.484 1.00 14.30 H new ATOM 0 HA LEU A 77 -5.856 -4.130 2.285 1.00 52.41 H new ATOM 0 HB2 LEU A 77 -7.088 -5.334 0.525 1.00 53.21 H new ATOM 0 HB3 LEU A 77 -8.178 -3.978 0.317 1.00 53.21 H new ATOM 0 HG LEU A 77 -6.359 -2.590 -0.568 1.00 32.25 H new ATOM 0 HD11 LEU A 77 -4.129 -3.509 -1.071 1.00 34.11 H new ATOM 0 HD12 LEU A 77 -4.462 -3.454 0.677 1.00 34.11 H new ATOM 0 HD13 LEU A 77 -4.557 -5.000 -0.200 1.00 34.11 H new ATOM 0 HD21 LEU A 77 -5.958 -3.812 -2.698 1.00 51.44 H new ATOM 0 HD22 LEU A 77 -6.529 -5.312 -1.929 1.00 51.44 H new ATOM 0 HD23 LEU A 77 -7.648 -3.947 -2.156 1.00 51.44 H new ATOM 286 N LEU A 78 -8.063 -1.653 2.081 1.00 21.34 N ATOM 287 CA LEU A 78 -8.268 -0.194 2.225 1.00 40.23 C ATOM 288 C LEU A 78 -7.579 0.331 3.499 1.00 33.42 C ATOM 289 O LEU A 78 -6.905 1.374 3.489 1.00 75.20 O ATOM 290 CB LEU A 78 -9.793 0.111 2.286 1.00 34.22 C ATOM 291 CG LEU A 78 -10.191 1.615 2.376 1.00 54.42 C ATOM 292 CD1 LEU A 78 -9.867 2.362 1.068 1.00 40.41 C ATOM 293 CD2 LEU A 78 -11.669 1.774 2.775 1.00 22.45 C ATOM 0 H LEU A 78 -8.932 -2.173 1.958 1.00 21.34 H new ATOM 0 HA LEU A 78 -7.827 0.308 1.364 1.00 40.23 H new ATOM 0 HB2 LEU A 78 -10.263 -0.315 1.400 1.00 34.22 H new ATOM 0 HB3 LEU A 78 -10.212 -0.406 3.149 1.00 34.22 H new ATOM 0 HG LEU A 78 -9.590 2.073 3.162 1.00 54.42 H new ATOM 0 HD11 LEU A 78 -10.157 3.408 1.165 1.00 40.41 H new ATOM 0 HD12 LEU A 78 -8.797 2.299 0.868 1.00 40.41 H new ATOM 0 HD13 LEU A 78 -10.417 1.908 0.244 1.00 40.41 H new ATOM 0 HD21 LEU A 78 -11.919 2.834 2.830 1.00 22.45 H new ATOM 0 HD22 LEU A 78 -12.301 1.290 2.030 1.00 22.45 H new ATOM 0 HD23 LEU A 78 -11.835 1.311 3.748 1.00 22.45 H new ATOM 305 N SER A 79 -7.744 -0.441 4.584 1.00 44.12 N ATOM 306 CA SER A 79 -7.180 -0.127 5.896 1.00 0.21 C ATOM 307 C SER A 79 -5.650 -0.324 5.941 1.00 51.42 C ATOM 308 O SER A 79 -4.951 0.492 6.537 1.00 13.32 O ATOM 309 CB SER A 79 -7.871 -0.989 6.963 1.00 52.43 C ATOM 310 OG SER A 79 -9.274 -0.778 6.934 1.00 12.05 O ATOM 0 H SER A 79 -8.279 -1.309 4.570 1.00 44.12 H new ATOM 0 HA SER A 79 -7.362 0.928 6.099 1.00 0.21 H new ATOM 0 HB2 SER A 79 -7.651 -2.042 6.788 1.00 52.43 H new ATOM 0 HB3 SER A 79 -7.480 -0.741 7.950 1.00 52.43 H new ATOM 0 HG SER A 79 -9.661 -1.255 6.170 1.00 12.05 H new ATOM 316 N VAL A 80 -5.145 -1.391 5.278 1.00 2.23 N ATOM 317 CA VAL A 80 -3.706 -1.744 5.276 1.00 51.41 C ATOM 318 C VAL A 80 -2.895 -0.632 4.613 1.00 64.21 C ATOM 319 O VAL A 80 -1.798 -0.296 5.075 1.00 5.45 O ATOM 320 CB VAL A 80 -3.438 -3.131 4.561 1.00 55.13 C ATOM 321 CG1 VAL A 80 -1.925 -3.428 4.384 1.00 11.42 C ATOM 322 CG2 VAL A 80 -4.116 -4.278 5.336 1.00 11.20 C ATOM 0 H VAL A 80 -5.722 -2.030 4.731 1.00 2.23 H new ATOM 0 HA VAL A 80 -3.388 -1.850 6.313 1.00 51.41 H new ATOM 0 HB VAL A 80 -3.872 -3.060 3.564 1.00 55.13 H new ATOM 0 HG11 VAL A 80 -1.799 -4.391 3.889 1.00 11.42 H new ATOM 0 HG12 VAL A 80 -1.469 -2.645 3.778 1.00 11.42 H new ATOM 0 HG13 VAL A 80 -1.443 -3.457 5.361 1.00 11.42 H new ATOM 0 HG21 VAL A 80 -3.921 -5.224 4.830 1.00 11.20 H new ATOM 0 HG22 VAL A 80 -3.716 -4.319 6.349 1.00 11.20 H new ATOM 0 HG23 VAL A 80 -5.191 -4.103 5.378 1.00 11.20 H new ATOM 332 N ILE A 81 -3.466 -0.059 3.535 1.00 71.15 N ATOM 333 CA ILE A 81 -2.887 1.105 2.855 1.00 23.53 C ATOM 334 C ILE A 81 -2.656 2.257 3.848 1.00 54.44 C ATOM 335 O ILE A 81 -1.543 2.785 3.960 1.00 0.15 O ATOM 336 CB ILE A 81 -3.800 1.618 1.686 1.00 12.25 C ATOM 337 CG1 ILE A 81 -4.143 0.486 0.674 1.00 54.35 C ATOM 338 CG2 ILE A 81 -3.144 2.804 0.974 1.00 11.33 C ATOM 339 CD1 ILE A 81 -2.955 -0.267 0.097 1.00 54.44 C ATOM 0 H ILE A 81 -4.335 -0.391 3.117 1.00 71.15 H new ATOM 0 HA ILE A 81 -1.935 0.780 2.435 1.00 23.53 H new ATOM 0 HB ILE A 81 -4.740 1.950 2.127 1.00 12.25 H new ATOM 0 HG12 ILE A 81 -4.799 -0.231 1.168 1.00 54.35 H new ATOM 0 HG13 ILE A 81 -4.709 0.920 -0.150 1.00 54.35 H new ATOM 0 HG21 ILE A 81 -3.791 3.147 0.166 1.00 11.33 H new ATOM 0 HG22 ILE A 81 -2.990 3.616 1.685 1.00 11.33 H new ATOM 0 HG23 ILE A 81 -2.183 2.495 0.563 1.00 11.33 H new ATOM 0 HD11 ILE A 81 -3.310 -1.031 -0.595 1.00 54.44 H new ATOM 0 HD12 ILE A 81 -2.306 0.429 -0.434 1.00 54.44 H new ATOM 0 HD13 ILE A 81 -2.397 -0.740 0.905 1.00 54.44 H new ATOM 351 N GLU A 82 -3.724 2.592 4.588 1.00 60.55 N ATOM 352 CA GLU A 82 -3.729 3.703 5.550 1.00 34.24 C ATOM 353 C GLU A 82 -2.705 3.441 6.675 1.00 2.12 C ATOM 354 O GLU A 82 -1.973 4.347 7.078 1.00 74.14 O ATOM 355 CB GLU A 82 -5.180 3.881 6.098 1.00 24.00 C ATOM 356 CG GLU A 82 -5.458 5.147 6.953 1.00 24.25 C ATOM 357 CD GLU A 82 -4.861 5.108 8.379 1.00 64.42 C ATOM 358 OE1 GLU A 82 -5.110 4.123 9.113 1.00 44.33 O ATOM 359 OE2 GLU A 82 -4.164 6.069 8.781 1.00 52.35 O ATOM 0 H GLU A 82 -4.614 2.096 4.535 1.00 60.55 H new ATOM 0 HA GLU A 82 -3.429 4.631 5.064 1.00 34.24 H new ATOM 0 HB2 GLU A 82 -5.864 3.888 5.250 1.00 24.00 H new ATOM 0 HB3 GLU A 82 -5.425 3.005 6.699 1.00 24.00 H new ATOM 0 HG2 GLU A 82 -5.059 6.016 6.430 1.00 24.25 H new ATOM 0 HG3 GLU A 82 -6.536 5.288 7.029 1.00 24.25 H new ATOM 366 N GLU A 83 -2.641 2.186 7.149 1.00 12.42 N ATOM 367 CA GLU A 83 -1.747 1.789 8.256 1.00 73.31 C ATOM 368 C GLU A 83 -0.272 1.929 7.868 1.00 13.10 C ATOM 369 O GLU A 83 0.551 2.349 8.686 1.00 23.23 O ATOM 370 CB GLU A 83 -2.050 0.353 8.713 1.00 64.31 C ATOM 371 CG GLU A 83 -3.460 0.154 9.294 1.00 62.50 C ATOM 372 CD GLU A 83 -3.731 -1.311 9.646 1.00 13.45 C ATOM 373 OE1 GLU A 83 -3.998 -2.099 8.715 1.00 55.34 O ATOM 374 OE2 GLU A 83 -3.632 -1.687 10.838 1.00 42.32 O ATOM 0 H GLU A 83 -3.203 1.419 6.780 1.00 12.42 H new ATOM 0 HA GLU A 83 -1.937 2.467 9.089 1.00 73.31 H new ATOM 0 HB2 GLU A 83 -1.922 -0.320 7.865 1.00 64.31 H new ATOM 0 HB3 GLU A 83 -1.316 0.062 9.465 1.00 64.31 H new ATOM 0 HG2 GLU A 83 -3.575 0.769 10.187 1.00 62.50 H new ATOM 0 HG3 GLU A 83 -4.202 0.497 8.573 1.00 62.50 H new ATOM 381 N MET A 84 0.053 1.592 6.610 1.00 70.45 N ATOM 382 CA MET A 84 1.400 1.812 6.060 1.00 31.13 C ATOM 383 C MET A 84 1.713 3.312 6.009 1.00 72.14 C ATOM 384 O MET A 84 2.844 3.721 6.287 1.00 15.34 O ATOM 385 CB MET A 84 1.525 1.174 4.659 1.00 33.21 C ATOM 386 CG MET A 84 1.492 -0.355 4.677 1.00 61.31 C ATOM 387 SD MET A 84 1.751 -1.080 3.047 1.00 34.12 S ATOM 388 CE MET A 84 0.336 -0.499 2.117 1.00 23.13 C ATOM 0 H MET A 84 -0.600 1.165 5.953 1.00 70.45 H new ATOM 0 HA MET A 84 2.128 1.332 6.714 1.00 31.13 H new ATOM 0 HB2 MET A 84 0.714 1.539 4.029 1.00 33.21 H new ATOM 0 HB3 MET A 84 2.458 1.504 4.201 1.00 33.21 H new ATOM 0 HG2 MET A 84 2.259 -0.722 5.359 1.00 61.31 H new ATOM 0 HG3 MET A 84 0.531 -0.688 5.069 1.00 61.31 H new ATOM 0 HE1 MET A 84 0.331 -0.967 1.132 1.00 23.13 H new ATOM 0 HE2 MET A 84 -0.580 -0.760 2.647 1.00 23.13 H new ATOM 0 HE3 MET A 84 0.394 0.584 2.004 1.00 23.13 H new ATOM 398 N GLY A 85 0.666 4.115 5.717 1.00 23.51 N ATOM 399 CA GLY A 85 0.757 5.575 5.703 1.00 43.25 C ATOM 400 C GLY A 85 1.098 6.187 7.055 1.00 52.40 C ATOM 401 O GLY A 85 1.578 7.316 7.118 1.00 11.32 O ATOM 0 H GLY A 85 -0.262 3.760 5.486 1.00 23.51 H new ATOM 0 HA2 GLY A 85 1.514 5.875 4.979 1.00 43.25 H new ATOM 0 HA3 GLY A 85 -0.193 5.985 5.359 1.00 43.25 H new ATOM 405 N LYS A 86 0.849 5.433 8.131 1.00 14.12 N ATOM 406 CA LYS A 86 1.198 5.830 9.505 1.00 3.44 C ATOM 407 C LYS A 86 2.694 5.613 9.731 1.00 51.44 C ATOM 408 O LYS A 86 3.400 6.488 10.232 1.00 11.23 O ATOM 409 CB LYS A 86 0.405 4.973 10.515 1.00 5.14 C ATOM 410 CG LYS A 86 -1.127 5.146 10.484 1.00 70.31 C ATOM 411 CD LYS A 86 -1.873 4.023 11.266 1.00 42.43 C ATOM 412 CE LYS A 86 -1.397 3.831 12.725 1.00 42.01 C ATOM 413 NZ LYS A 86 -0.148 3.012 12.833 1.00 41.13 N ATOM 0 H LYS A 86 0.395 4.521 8.075 1.00 14.12 H new ATOM 0 HA LYS A 86 0.950 6.882 9.648 1.00 3.44 H new ATOM 0 HB2 LYS A 86 0.637 3.924 10.333 1.00 5.14 H new ATOM 0 HB3 LYS A 86 0.758 5.209 11.519 1.00 5.14 H new ATOM 0 HG2 LYS A 86 -1.388 6.115 10.910 1.00 70.31 H new ATOM 0 HG3 LYS A 86 -1.468 5.150 9.449 1.00 70.31 H new ATOM 0 HD2 LYS A 86 -2.939 4.249 11.272 1.00 42.43 H new ATOM 0 HD3 LYS A 86 -1.750 3.082 10.730 1.00 42.43 H new ATOM 0 HE2 LYS A 86 -1.224 4.808 13.176 1.00 42.01 H new ATOM 0 HE3 LYS A 86 -2.190 3.351 13.299 1.00 42.01 H new ATOM 0 HZ1 LYS A 86 -0.280 2.270 13.550 1.00 41.13 H new ATOM 0 HZ2 LYS A 86 0.059 2.572 11.914 1.00 41.13 H new ATOM 0 HZ3 LYS A 86 0.646 3.624 13.110 1.00 41.13 H new ATOM 427 N GLU A 87 3.156 4.428 9.309 1.00 34.31 N ATOM 428 CA GLU A 87 4.514 3.947 9.585 1.00 24.11 C ATOM 429 C GLU A 87 5.573 4.608 8.690 1.00 51.23 C ATOM 430 O GLU A 87 6.749 4.392 8.927 1.00 72.35 O ATOM 431 CB GLU A 87 4.554 2.390 9.483 1.00 53.03 C ATOM 432 CG GLU A 87 4.203 1.640 10.797 1.00 10.32 C ATOM 433 CD GLU A 87 2.902 2.126 11.482 1.00 1.33 C ATOM 434 OE1 GLU A 87 1.816 1.593 11.175 1.00 52.10 O ATOM 435 OE2 GLU A 87 2.966 3.036 12.349 1.00 3.05 O ATOM 0 H GLU A 87 2.594 3.774 8.764 1.00 34.31 H new ATOM 0 HA GLU A 87 4.771 4.238 10.603 1.00 24.11 H new ATOM 0 HB2 GLU A 87 3.860 2.073 8.704 1.00 53.03 H new ATOM 0 HB3 GLU A 87 5.551 2.087 9.164 1.00 53.03 H new ATOM 0 HG2 GLU A 87 4.109 0.576 10.580 1.00 10.32 H new ATOM 0 HG3 GLU A 87 5.031 1.751 11.497 1.00 10.32 H new ATOM 442 N ILE A 88 5.158 5.430 7.706 1.00 4.55 N ATOM 443 CA ILE A 88 6.095 6.187 6.838 1.00 32.03 C ATOM 444 C ILE A 88 6.967 7.154 7.672 1.00 13.11 C ATOM 445 O ILE A 88 8.172 7.261 7.445 1.00 54.13 O ATOM 446 CB ILE A 88 5.313 7.002 5.737 1.00 1.25 C ATOM 447 CG1 ILE A 88 4.509 6.035 4.826 1.00 32.21 C ATOM 448 CG2 ILE A 88 6.251 7.913 4.896 1.00 42.51 C ATOM 449 CD1 ILE A 88 3.662 6.721 3.782 1.00 14.31 C ATOM 0 H ILE A 88 4.175 5.590 7.488 1.00 4.55 H new ATOM 0 HA ILE A 88 6.743 5.460 6.348 1.00 32.03 H new ATOM 0 HB ILE A 88 4.617 7.665 6.251 1.00 1.25 H new ATOM 0 HG12 ILE A 88 5.206 5.362 4.326 1.00 32.21 H new ATOM 0 HG13 ILE A 88 3.864 5.418 5.452 1.00 32.21 H new ATOM 0 HG21 ILE A 88 5.664 8.452 4.153 1.00 42.51 H new ATOM 0 HG22 ILE A 88 6.749 8.627 5.552 1.00 42.51 H new ATOM 0 HG23 ILE A 88 6.999 7.300 4.393 1.00 42.51 H new ATOM 0 HD11 ILE A 88 3.135 5.972 3.191 1.00 14.31 H new ATOM 0 HD12 ILE A 88 2.938 7.372 4.271 1.00 14.31 H new ATOM 0 HD13 ILE A 88 4.301 7.315 3.129 1.00 14.31 H new ATOM 461 N ARG A 89 6.327 7.841 8.635 1.00 62.51 N ATOM 462 CA ARG A 89 6.987 8.864 9.475 1.00 64.55 C ATOM 463 C ARG A 89 8.075 8.247 10.405 1.00 31.12 C ATOM 464 O ARG A 89 9.216 8.724 10.391 1.00 40.30 O ATOM 465 CB ARG A 89 5.919 9.679 10.260 1.00 43.45 C ATOM 466 CG ARG A 89 6.443 10.942 10.973 1.00 61.24 C ATOM 467 CD ARG A 89 5.321 11.697 11.712 1.00 14.10 C ATOM 468 NE ARG A 89 5.768 12.993 12.258 1.00 2.42 N ATOM 469 CZ ARG A 89 5.137 13.694 13.218 1.00 54.14 C ATOM 470 NH1 ARG A 89 4.011 13.231 13.775 1.00 22.04 N ATOM 471 NH2 ARG A 89 5.628 14.870 13.590 1.00 73.20 N ATOM 0 H ARG A 89 5.340 7.705 8.855 1.00 62.51 H new ATOM 0 HA ARG A 89 7.520 9.555 8.821 1.00 64.55 H new ATOM 0 HB2 ARG A 89 5.131 9.974 9.568 1.00 43.45 H new ATOM 0 HB3 ARG A 89 5.462 9.026 11.004 1.00 43.45 H new ATOM 0 HG2 ARG A 89 7.220 10.661 11.684 1.00 61.24 H new ATOM 0 HG3 ARG A 89 6.905 11.605 10.242 1.00 61.24 H new ATOM 0 HD2 ARG A 89 4.489 11.864 11.027 1.00 14.10 H new ATOM 0 HD3 ARG A 89 4.945 11.076 12.525 1.00 14.10 H new ATOM 0 HE ARG A 89 6.626 13.390 11.876 1.00 2.42 H new ATOM 0 HH11 ARG A 89 3.622 12.338 13.473 1.00 22.04 H new ATOM 0 HH12 ARG A 89 3.542 13.771 14.502 1.00 22.04 H new ATOM 0 HH21 ARG A 89 6.474 15.232 13.149 1.00 73.20 H new ATOM 0 HH22 ARG A 89 5.160 15.412 14.316 1.00 73.20 H new ATOM 485 N PRO A 90 7.776 7.187 11.244 1.00 3.43 N ATOM 486 CA PRO A 90 8.826 6.517 12.049 1.00 31.24 C ATOM 487 C PRO A 90 9.851 5.711 11.203 1.00 53.25 C ATOM 488 O PRO A 90 10.996 5.564 11.634 1.00 72.14 O ATOM 489 CB PRO A 90 8.035 5.634 13.040 1.00 3.21 C ATOM 490 CG PRO A 90 6.696 5.417 12.399 1.00 60.34 C ATOM 491 CD PRO A 90 6.429 6.637 11.553 1.00 44.11 C ATOM 0 HA PRO A 90 9.463 7.242 12.555 1.00 31.24 H new ATOM 0 HB2 PRO A 90 8.545 4.687 13.215 1.00 3.21 H new ATOM 0 HB3 PRO A 90 7.932 6.125 14.008 1.00 3.21 H new ATOM 0 HG2 PRO A 90 6.699 4.514 11.789 1.00 60.34 H new ATOM 0 HG3 PRO A 90 5.920 5.290 13.154 1.00 60.34 H new ATOM 0 HD2 PRO A 90 5.890 6.377 10.642 1.00 44.11 H new ATOM 0 HD3 PRO A 90 5.818 7.364 12.088 1.00 44.11 H new ATOM 499 N THR A 91 9.455 5.203 10.007 1.00 42.51 N ATOM 500 CA THR A 91 10.413 4.600 9.037 1.00 3.22 C ATOM 501 C THR A 91 11.445 5.656 8.599 1.00 60.52 C ATOM 502 O THR A 91 12.653 5.412 8.618 1.00 62.13 O ATOM 503 CB THR A 91 9.676 4.017 7.776 1.00 43.13 C ATOM 504 OG1 THR A 91 8.839 2.928 8.182 1.00 62.20 O ATOM 505 CG2 THR A 91 10.637 3.527 6.669 1.00 62.43 C ATOM 0 H THR A 91 8.485 5.198 9.691 1.00 42.51 H new ATOM 0 HA THR A 91 10.919 3.774 9.537 1.00 3.22 H new ATOM 0 HB THR A 91 9.092 4.833 7.350 1.00 43.13 H new ATOM 0 HG1 THR A 91 8.094 3.270 8.719 1.00 62.20 H new ATOM 0 HG21 THR A 91 10.059 3.138 5.831 1.00 62.43 H new ATOM 0 HG22 THR A 91 11.255 4.358 6.329 1.00 62.43 H new ATOM 0 HG23 THR A 91 11.277 2.738 7.065 1.00 62.43 H new ATOM 513 N TYR A 92 10.928 6.845 8.262 1.00 23.45 N ATOM 514 CA TYR A 92 11.732 8.017 7.897 1.00 61.34 C ATOM 515 C TYR A 92 12.641 8.458 9.063 1.00 73.33 C ATOM 516 O TYR A 92 13.697 9.042 8.841 1.00 72.13 O ATOM 517 CB TYR A 92 10.791 9.173 7.456 1.00 14.22 C ATOM 518 CG TYR A 92 11.515 10.446 7.008 1.00 10.34 C ATOM 519 CD1 TYR A 92 12.181 10.504 5.781 1.00 42.13 C ATOM 520 CD2 TYR A 92 11.549 11.586 7.815 1.00 74.33 C ATOM 521 CE1 TYR A 92 12.847 11.640 5.385 1.00 35.12 C ATOM 522 CE2 TYR A 92 12.219 12.724 7.421 1.00 33.05 C ATOM 523 CZ TYR A 92 12.868 12.745 6.204 1.00 64.22 C ATOM 524 OH TYR A 92 13.544 13.879 5.812 1.00 21.13 O ATOM 0 H TYR A 92 9.924 7.021 8.235 1.00 23.45 H new ATOM 0 HA TYR A 92 12.383 7.750 7.065 1.00 61.34 H new ATOM 0 HB2 TYR A 92 10.162 8.821 6.638 1.00 14.22 H new ATOM 0 HB3 TYR A 92 10.127 9.420 8.284 1.00 14.22 H new ATOM 0 HD1 TYR A 92 12.173 9.641 5.132 1.00 42.13 H new ATOM 0 HD2 TYR A 92 11.040 11.575 8.767 1.00 74.33 H new ATOM 0 HE1 TYR A 92 13.353 11.665 4.431 1.00 35.12 H new ATOM 0 HE2 TYR A 92 12.236 13.594 8.061 1.00 33.05 H new ATOM 0 HH TYR A 92 13.459 14.567 6.505 1.00 21.13 H new ATOM 534 N ALA A 93 12.222 8.151 10.302 1.00 1.10 N ATOM 535 CA ALA A 93 12.969 8.508 11.525 1.00 3.21 C ATOM 536 C ALA A 93 13.996 7.426 11.920 1.00 64.11 C ATOM 537 O ALA A 93 14.709 7.583 12.916 1.00 64.12 O ATOM 538 CB ALA A 93 11.974 8.757 12.662 1.00 33.42 C ATOM 0 H ALA A 93 11.354 7.647 10.487 1.00 1.10 H new ATOM 0 HA ALA A 93 13.539 9.416 11.327 1.00 3.21 H new ATOM 0 HB1 ALA A 93 12.517 9.021 13.569 1.00 33.42 H new ATOM 0 HB2 ALA A 93 11.306 9.573 12.388 1.00 33.42 H new ATOM 0 HB3 ALA A 93 11.390 7.854 12.839 1.00 33.42 H new ATOM 544 N GLY A 94 14.074 6.346 11.127 1.00 32.12 N ATOM 545 CA GLY A 94 15.051 5.277 11.362 1.00 42.23 C ATOM 546 C GLY A 94 14.583 4.187 12.316 1.00 72.34 C ATOM 547 O GLY A 94 15.394 3.350 12.732 1.00 22.12 O ATOM 0 H GLY A 94 13.472 6.192 10.318 1.00 32.12 H new ATOM 0 HA2 GLY A 94 15.306 4.820 10.406 1.00 42.23 H new ATOM 0 HA3 GLY A 94 15.965 5.719 11.758 1.00 42.23 H new ATOM 551 N SER A 95 13.289 4.197 12.693 1.00 72.13 N ATOM 552 CA SER A 95 12.684 3.088 13.457 1.00 11.45 C ATOM 553 C SER A 95 12.488 1.867 12.534 1.00 64.31 C ATOM 554 O SER A 95 11.550 1.836 11.726 1.00 64.04 O ATOM 555 CB SER A 95 11.335 3.523 14.088 1.00 43.21 C ATOM 556 OG SER A 95 11.501 4.671 14.899 1.00 64.23 O ATOM 0 H SER A 95 12.644 4.959 12.482 1.00 72.13 H new ATOM 0 HA SER A 95 13.356 2.813 14.269 1.00 11.45 H new ATOM 0 HB2 SER A 95 10.611 3.732 13.300 1.00 43.21 H new ATOM 0 HB3 SER A 95 10.929 2.707 14.686 1.00 43.21 H new ATOM 0 HG SER A 95 10.637 4.927 15.284 1.00 64.23 H new ATOM 562 N LYS A 96 13.422 0.898 12.625 1.00 23.52 N ATOM 563 CA LYS A 96 13.381 -0.347 11.825 1.00 15.20 C ATOM 564 C LYS A 96 12.135 -1.206 12.114 1.00 64.32 C ATOM 565 O LYS A 96 11.761 -2.024 11.280 1.00 40.20 O ATOM 566 CB LYS A 96 14.688 -1.165 12.011 1.00 10.44 C ATOM 567 CG LYS A 96 14.903 -1.750 13.422 1.00 42.22 C ATOM 568 CD LYS A 96 16.221 -2.559 13.562 1.00 65.54 C ATOM 569 CE LYS A 96 16.382 -3.663 12.496 1.00 42.41 C ATOM 570 NZ LYS A 96 15.243 -4.621 12.483 1.00 63.23 N ATOM 0 H LYS A 96 14.224 0.955 13.253 1.00 23.52 H new ATOM 0 HA LYS A 96 13.306 -0.047 10.780 1.00 15.20 H new ATOM 0 HB2 LYS A 96 14.690 -1.984 11.292 1.00 10.44 H new ATOM 0 HB3 LYS A 96 15.536 -0.525 11.768 1.00 10.44 H new ATOM 0 HG2 LYS A 96 14.906 -0.937 14.147 1.00 42.22 H new ATOM 0 HG3 LYS A 96 14.061 -2.396 13.671 1.00 42.22 H new ATOM 0 HD2 LYS A 96 17.067 -1.875 13.495 1.00 65.54 H new ATOM 0 HD3 LYS A 96 16.256 -3.013 14.552 1.00 65.54 H new ATOM 0 HE2 LYS A 96 16.474 -3.202 11.513 1.00 42.41 H new ATOM 0 HE3 LYS A 96 17.308 -4.208 12.681 1.00 42.41 H new ATOM 0 HZ1 LYS A 96 15.411 -5.350 11.761 1.00 63.23 H new ATOM 0 HZ2 LYS A 96 15.158 -5.071 13.416 1.00 63.23 H new ATOM 0 HZ3 LYS A 96 14.363 -4.112 12.263 1.00 63.23 H new ATOM 584 N SER A 97 11.513 -1.020 13.298 1.00 22.31 N ATOM 585 CA SER A 97 10.232 -1.677 13.641 1.00 52.31 C ATOM 586 C SER A 97 9.117 -1.220 12.677 1.00 33.31 C ATOM 587 O SER A 97 8.342 -2.044 12.164 1.00 64.23 O ATOM 588 CB SER A 97 9.834 -1.354 15.096 1.00 41.22 C ATOM 589 OG SER A 97 10.844 -1.750 16.007 1.00 34.31 O ATOM 0 H SER A 97 11.879 -0.418 14.036 1.00 22.31 H new ATOM 0 HA SER A 97 10.362 -2.755 13.543 1.00 52.31 H new ATOM 0 HB2 SER A 97 9.651 -0.284 15.196 1.00 41.22 H new ATOM 0 HB3 SER A 97 8.901 -1.862 15.341 1.00 41.22 H new ATOM 0 HG SER A 97 10.565 -1.531 16.921 1.00 34.31 H new ATOM 595 N ALA A 98 9.060 0.110 12.455 1.00 14.42 N ATOM 596 CA ALA A 98 8.106 0.742 11.529 1.00 32.10 C ATOM 597 C ALA A 98 8.391 0.336 10.091 1.00 74.03 C ATOM 598 O ALA A 98 7.468 0.007 9.344 1.00 34.14 O ATOM 599 CB ALA A 98 8.175 2.261 11.666 1.00 13.22 C ATOM 0 H ALA A 98 9.679 0.776 12.917 1.00 14.42 H new ATOM 0 HA ALA A 98 7.103 0.402 11.787 1.00 32.10 H new ATOM 0 HB1 ALA A 98 7.466 2.721 10.977 1.00 13.22 H new ATOM 0 HB2 ALA A 98 7.925 2.546 12.688 1.00 13.22 H new ATOM 0 HB3 ALA A 98 9.183 2.602 11.430 1.00 13.22 H new ATOM 605 N MET A 99 9.690 0.373 9.728 1.00 12.13 N ATOM 606 CA MET A 99 10.184 -0.049 8.410 1.00 3.33 C ATOM 607 C MET A 99 9.780 -1.493 8.115 1.00 72.11 C ATOM 608 O MET A 99 9.376 -1.816 7.002 1.00 3.13 O ATOM 609 CB MET A 99 11.728 0.081 8.355 1.00 24.12 C ATOM 610 CG MET A 99 12.352 -0.304 7.008 1.00 22.15 C ATOM 611 SD MET A 99 14.152 -0.348 7.039 1.00 12.32 S ATOM 612 CE MET A 99 14.450 -1.668 8.214 1.00 32.11 C ATOM 0 H MET A 99 10.429 0.700 10.351 1.00 12.13 H new ATOM 0 HA MET A 99 9.738 0.599 7.655 1.00 3.33 H new ATOM 0 HB2 MET A 99 12.002 1.110 8.587 1.00 24.12 H new ATOM 0 HB3 MET A 99 12.161 -0.547 9.134 1.00 24.12 H new ATOM 0 HG2 MET A 99 11.977 -1.283 6.709 1.00 22.15 H new ATOM 0 HG3 MET A 99 12.027 0.407 6.249 1.00 22.15 H new ATOM 0 HE1 MET A 99 15.186 -2.360 7.805 1.00 32.11 H new ATOM 0 HE2 MET A 99 14.827 -1.247 9.146 1.00 32.11 H new ATOM 0 HE3 MET A 99 13.519 -2.201 8.407 1.00 32.11 H new ATOM 622 N GLU A 100 9.874 -2.340 9.148 1.00 34.22 N ATOM 623 CA GLU A 100 9.570 -3.765 9.048 1.00 4.32 C ATOM 624 C GLU A 100 8.067 -3.987 8.851 1.00 74.42 C ATOM 625 O GLU A 100 7.677 -4.836 8.070 1.00 10.41 O ATOM 626 CB GLU A 100 10.086 -4.513 10.304 1.00 74.40 C ATOM 627 CG GLU A 100 10.009 -6.048 10.226 1.00 15.43 C ATOM 628 CD GLU A 100 10.729 -6.639 8.998 1.00 71.02 C ATOM 629 OE1 GLU A 100 11.976 -6.562 8.934 1.00 64.23 O ATOM 630 OE2 GLU A 100 10.049 -7.176 8.093 1.00 41.51 O ATOM 0 H GLU A 100 10.166 -2.049 10.081 1.00 34.22 H new ATOM 0 HA GLU A 100 10.082 -4.170 8.175 1.00 4.32 H new ATOM 0 HB2 GLU A 100 11.123 -4.225 10.479 1.00 74.40 H new ATOM 0 HB3 GLU A 100 9.512 -4.179 11.168 1.00 74.40 H new ATOM 0 HG2 GLU A 100 10.444 -6.472 11.131 1.00 15.43 H new ATOM 0 HG3 GLU A 100 8.962 -6.351 10.204 1.00 15.43 H new ATOM 637 N ARG A 101 7.232 -3.193 9.549 1.00 30.25 N ATOM 638 CA ARG A 101 5.760 -3.299 9.417 1.00 24.21 C ATOM 639 C ARG A 101 5.301 -2.691 8.081 1.00 44.54 C ATOM 640 O ARG A 101 4.238 -3.036 7.567 1.00 40.30 O ATOM 641 CB ARG A 101 5.017 -2.611 10.593 1.00 2.32 C ATOM 642 CG ARG A 101 3.508 -2.974 10.648 1.00 52.32 C ATOM 643 CD ARG A 101 2.703 -2.190 11.698 1.00 43.52 C ATOM 644 NE ARG A 101 1.319 -2.704 11.799 1.00 73.20 N ATOM 645 CZ ARG A 101 0.192 -1.999 11.589 1.00 35.20 C ATOM 646 NH1 ARG A 101 0.243 -0.710 11.263 1.00 2.53 N ATOM 647 NH2 ARG A 101 -0.990 -2.602 11.690 1.00 4.24 N ATOM 0 H ARG A 101 7.544 -2.477 10.205 1.00 30.25 H new ATOM 0 HA ARG A 101 5.508 -4.359 9.442 1.00 24.21 H new ATOM 0 HB2 ARG A 101 5.489 -2.898 11.532 1.00 2.32 H new ATOM 0 HB3 ARG A 101 5.123 -1.530 10.500 1.00 2.32 H new ATOM 0 HG2 ARG A 101 3.069 -2.798 9.666 1.00 52.32 H new ATOM 0 HG3 ARG A 101 3.411 -4.040 10.855 1.00 52.32 H new ATOM 0 HD2 ARG A 101 3.194 -2.265 12.668 1.00 43.52 H new ATOM 0 HD3 ARG A 101 2.684 -1.133 11.432 1.00 43.52 H new ATOM 0 HE ARG A 101 1.209 -3.686 12.052 1.00 73.20 H new ATOM 0 HH11 ARG A 101 1.145 -0.243 11.169 1.00 2.53 H new ATOM 0 HH12 ARG A 101 -0.620 -0.189 11.107 1.00 2.53 H new ATOM 0 HH21 ARG A 101 -1.038 -3.593 11.925 1.00 4.24 H new ATOM 0 HH22 ARG A 101 -1.848 -2.073 11.532 1.00 4.24 H new ATOM 661 N LEU A 102 6.113 -1.772 7.550 1.00 55.11 N ATOM 662 CA LEU A 102 5.889 -1.151 6.242 1.00 32.54 C ATOM 663 C LEU A 102 6.160 -2.195 5.138 1.00 61.12 C ATOM 664 O LEU A 102 5.350 -2.363 4.230 1.00 53.04 O ATOM 665 CB LEU A 102 6.791 0.113 6.110 1.00 43.20 C ATOM 666 CG LEU A 102 6.590 1.011 4.851 1.00 74.54 C ATOM 667 CD1 LEU A 102 5.130 1.477 4.690 1.00 45.24 C ATOM 668 CD2 LEU A 102 7.552 2.219 4.890 1.00 63.54 C ATOM 0 H LEU A 102 6.953 -1.435 8.021 1.00 55.11 H new ATOM 0 HA LEU A 102 4.855 -0.822 6.136 1.00 32.54 H new ATOM 0 HB2 LEU A 102 6.634 0.732 6.993 1.00 43.20 H new ATOM 0 HB3 LEU A 102 7.831 -0.212 6.129 1.00 43.20 H new ATOM 0 HG LEU A 102 6.825 0.401 3.978 1.00 74.54 H new ATOM 0 HD11 LEU A 102 5.043 2.099 3.799 1.00 45.24 H new ATOM 0 HD12 LEU A 102 4.480 0.608 4.591 1.00 45.24 H new ATOM 0 HD13 LEU A 102 4.834 2.054 5.566 1.00 45.24 H new ATOM 0 HD21 LEU A 102 7.398 2.835 4.004 1.00 63.54 H new ATOM 0 HD22 LEU A 102 7.355 2.812 5.783 1.00 63.54 H new ATOM 0 HD23 LEU A 102 8.582 1.863 4.910 1.00 63.54 H new ATOM 680 N LYS A 103 7.297 -2.919 5.263 1.00 72.11 N ATOM 681 CA LYS A 103 7.646 -4.078 4.403 1.00 0.04 C ATOM 682 C LYS A 103 6.531 -5.137 4.438 1.00 34.32 C ATOM 683 O LYS A 103 6.002 -5.539 3.401 1.00 50.43 O ATOM 684 CB LYS A 103 8.988 -4.702 4.882 1.00 1.01 C ATOM 685 CG LYS A 103 10.226 -3.782 4.728 1.00 41.23 C ATOM 686 CD LYS A 103 11.438 -4.248 5.581 1.00 51.04 C ATOM 687 CE LYS A 103 11.930 -5.660 5.224 1.00 51.15 C ATOM 688 NZ LYS A 103 13.019 -6.120 6.136 1.00 21.01 N ATOM 0 H LYS A 103 8.005 -2.715 5.969 1.00 72.11 H new ATOM 0 HA LYS A 103 7.756 -3.729 3.376 1.00 0.04 H new ATOM 0 HB2 LYS A 103 8.889 -4.981 5.931 1.00 1.01 H new ATOM 0 HB3 LYS A 103 9.165 -5.621 4.323 1.00 1.01 H new ATOM 0 HG2 LYS A 103 10.519 -3.749 3.679 1.00 41.23 H new ATOM 0 HG3 LYS A 103 9.955 -2.766 5.016 1.00 41.23 H new ATOM 0 HD2 LYS A 103 12.258 -3.542 5.450 1.00 51.04 H new ATOM 0 HD3 LYS A 103 11.162 -4.223 6.635 1.00 51.04 H new ATOM 0 HE2 LYS A 103 11.095 -6.359 5.275 1.00 51.15 H new ATOM 0 HE3 LYS A 103 12.291 -5.669 4.195 1.00 51.15 H new ATOM 0 HZ1 LYS A 103 13.414 -7.014 5.781 1.00 21.01 H new ATOM 0 HZ2 LYS A 103 13.769 -5.400 6.172 1.00 21.01 H new ATOM 0 HZ3 LYS A 103 12.633 -6.267 7.091 1.00 21.01 H new ATOM 702 N ARG A 104 6.167 -5.532 5.665 1.00 23.35 N ATOM 703 CA ARG A 104 5.116 -6.530 5.945 1.00 74.54 C ATOM 704 C ARG A 104 3.732 -6.014 5.526 1.00 4.11 C ATOM 705 O ARG A 104 2.833 -6.807 5.238 1.00 3.24 O ATOM 706 CB ARG A 104 5.144 -6.885 7.458 1.00 64.43 C ATOM 707 CG ARG A 104 6.401 -7.676 7.904 1.00 62.03 C ATOM 708 CD ARG A 104 6.494 -7.861 9.432 1.00 23.31 C ATOM 709 NE ARG A 104 7.726 -8.573 9.816 1.00 14.02 N ATOM 710 CZ ARG A 104 8.018 -9.014 11.055 1.00 2.31 C ATOM 711 NH1 ARG A 104 7.174 -8.820 12.073 1.00 74.41 N ATOM 712 NH2 ARG A 104 9.166 -9.649 11.265 1.00 50.03 N ATOM 0 H ARG A 104 6.601 -5.162 6.510 1.00 23.35 H new ATOM 0 HA ARG A 104 5.312 -7.428 5.360 1.00 74.54 H new ATOM 0 HB2 ARG A 104 5.085 -5.963 8.037 1.00 64.43 H new ATOM 0 HB3 ARG A 104 4.256 -7.470 7.699 1.00 64.43 H new ATOM 0 HG2 ARG A 104 6.394 -8.656 7.426 1.00 62.03 H new ATOM 0 HG3 ARG A 104 7.292 -7.156 7.553 1.00 62.03 H new ATOM 0 HD2 ARG A 104 6.469 -6.887 9.920 1.00 23.31 H new ATOM 0 HD3 ARG A 104 5.626 -8.417 9.786 1.00 23.31 H new ATOM 0 HE ARG A 104 8.414 -8.746 9.083 1.00 14.02 H new ATOM 0 HH11 ARG A 104 6.292 -8.331 11.918 1.00 74.41 H new ATOM 0 HH12 ARG A 104 7.412 -9.161 13.005 1.00 74.41 H new ATOM 0 HH21 ARG A 104 9.815 -9.798 10.492 1.00 50.03 H new ATOM 0 HH22 ARG A 104 9.398 -9.988 12.199 1.00 50.03 H new ATOM 726 N GLY A 105 3.593 -4.680 5.472 1.00 14.22 N ATOM 727 CA GLY A 105 2.364 -4.032 5.038 1.00 15.04 C ATOM 728 C GLY A 105 2.184 -4.145 3.545 1.00 41.31 C ATOM 729 O GLY A 105 1.074 -4.356 3.074 1.00 53.45 O ATOM 0 H GLY A 105 4.334 -4.028 5.730 1.00 14.22 H new ATOM 0 HA2 GLY A 105 1.512 -4.486 5.545 1.00 15.04 H new ATOM 0 HA3 GLY A 105 2.383 -2.981 5.326 1.00 15.04 H new ATOM 733 N ILE A 106 3.296 -4.004 2.793 1.00 51.14 N ATOM 734 CA ILE A 106 3.312 -4.236 1.336 1.00 44.34 C ATOM 735 C ILE A 106 3.012 -5.725 1.036 1.00 62.50 C ATOM 736 O ILE A 106 2.213 -6.033 0.153 1.00 11.11 O ATOM 737 CB ILE A 106 4.683 -3.767 0.667 1.00 65.02 C ATOM 738 CG1 ILE A 106 4.661 -2.243 0.285 1.00 45.11 C ATOM 739 CG2 ILE A 106 5.045 -4.603 -0.592 1.00 61.01 C ATOM 740 CD1 ILE A 106 4.618 -1.250 1.425 1.00 60.22 C ATOM 0 H ILE A 106 4.200 -3.728 3.176 1.00 51.14 H new ATOM 0 HA ILE A 106 2.529 -3.625 0.888 1.00 44.34 H new ATOM 0 HB ILE A 106 5.448 -3.932 1.425 1.00 65.02 H new ATOM 0 HG12 ILE A 106 5.546 -2.031 -0.315 1.00 45.11 H new ATOM 0 HG13 ILE A 106 3.794 -2.066 -0.352 1.00 45.11 H new ATOM 0 HG21 ILE A 106 5.986 -4.244 -1.009 1.00 61.01 H new ATOM 0 HG22 ILE A 106 5.148 -5.652 -0.315 1.00 61.01 H new ATOM 0 HG23 ILE A 106 4.255 -4.500 -1.336 1.00 61.01 H new ATOM 0 HD11 ILE A 106 4.606 -0.236 1.024 1.00 60.22 H new ATOM 0 HD12 ILE A 106 3.719 -1.416 2.018 1.00 60.22 H new ATOM 0 HD13 ILE A 106 5.498 -1.381 2.055 1.00 60.22 H new ATOM 752 N ILE A 107 3.645 -6.634 1.799 1.00 75.04 N ATOM 753 CA ILE A 107 3.421 -8.091 1.667 1.00 43.23 C ATOM 754 C ILE A 107 1.943 -8.448 1.963 1.00 43.13 C ATOM 755 O ILE A 107 1.352 -9.324 1.315 1.00 2.20 O ATOM 756 CB ILE A 107 4.393 -8.890 2.620 1.00 53.01 C ATOM 757 CG1 ILE A 107 5.886 -8.568 2.284 1.00 42.14 C ATOM 758 CG2 ILE A 107 4.135 -10.415 2.547 1.00 74.11 C ATOM 759 CD1 ILE A 107 6.894 -9.150 3.263 1.00 22.00 C ATOM 0 H ILE A 107 4.322 -6.385 2.520 1.00 75.04 H new ATOM 0 HA ILE A 107 3.639 -8.379 0.639 1.00 43.23 H new ATOM 0 HB ILE A 107 4.190 -8.568 3.641 1.00 53.01 H new ATOM 0 HG12 ILE A 107 6.110 -8.944 1.286 1.00 42.14 H new ATOM 0 HG13 ILE A 107 6.013 -7.486 2.253 1.00 42.14 H new ATOM 0 HG21 ILE A 107 4.822 -10.933 3.216 1.00 74.11 H new ATOM 0 HG22 ILE A 107 3.109 -10.625 2.848 1.00 74.11 H new ATOM 0 HG23 ILE A 107 4.292 -10.762 1.526 1.00 74.11 H new ATOM 0 HD11 ILE A 107 7.902 -8.877 2.952 1.00 22.00 H new ATOM 0 HD12 ILE A 107 6.702 -8.755 4.261 1.00 22.00 H new ATOM 0 HD13 ILE A 107 6.801 -10.236 3.279 1.00 22.00 H new ATOM 771 N HIS A 108 1.348 -7.711 2.917 1.00 1.22 N ATOM 772 CA HIS A 108 -0.041 -7.914 3.354 1.00 62.00 C ATOM 773 C HIS A 108 -1.021 -7.349 2.311 1.00 10.31 C ATOM 774 O HIS A 108 -2.013 -7.996 1.968 1.00 54.10 O ATOM 775 CB HIS A 108 -0.246 -7.224 4.730 1.00 42.35 C ATOM 776 CG HIS A 108 -1.562 -7.487 5.408 1.00 54.54 C ATOM 777 ND1 HIS A 108 -1.987 -6.768 6.504 1.00 52.14 N ATOM 778 CD2 HIS A 108 -2.525 -8.412 5.182 1.00 74.14 C ATOM 779 CE1 HIS A 108 -3.140 -7.247 6.918 1.00 24.50 C ATOM 780 NE2 HIS A 108 -3.484 -8.240 6.135 1.00 11.03 N ATOM 0 H HIS A 108 1.822 -6.953 3.409 1.00 1.22 H new ATOM 0 HA HIS A 108 -0.239 -8.981 3.454 1.00 62.00 H new ATOM 0 HB2 HIS A 108 0.554 -7.543 5.397 1.00 42.35 H new ATOM 0 HB3 HIS A 108 -0.138 -6.148 4.595 1.00 42.35 H new ATOM 0 HD2 HIS A 108 -2.532 -9.149 4.393 1.00 74.14 H new ATOM 0 HE1 HIS A 108 -3.708 -6.883 7.762 1.00 24.50 H new ATOM 0 HE2 HIS A 108 -4.334 -8.796 6.225 1.00 11.03 H new ATOM 789 N ALA A 109 -0.712 -6.151 1.803 1.00 32.54 N ATOM 790 CA ALA A 109 -1.566 -5.436 0.846 1.00 33.13 C ATOM 791 C ALA A 109 -1.597 -6.157 -0.508 1.00 54.41 C ATOM 792 O ALA A 109 -2.663 -6.372 -1.069 1.00 63.14 O ATOM 793 CB ALA A 109 -1.090 -3.987 0.693 1.00 33.14 C ATOM 0 H ALA A 109 0.141 -5.647 2.045 1.00 32.54 H new ATOM 0 HA ALA A 109 -2.585 -5.423 1.232 1.00 33.13 H new ATOM 0 HB1 ALA A 109 -1.731 -3.467 -0.019 1.00 33.14 H new ATOM 0 HB2 ALA A 109 -1.138 -3.484 1.659 1.00 33.14 H new ATOM 0 HB3 ALA A 109 -0.062 -3.978 0.330 1.00 33.14 H new ATOM 799 N ARG A 110 -0.414 -6.588 -0.974 1.00 65.31 N ATOM 800 CA ARG A 110 -0.247 -7.282 -2.272 1.00 1.53 C ATOM 801 C ARG A 110 -0.940 -8.658 -2.239 1.00 63.43 C ATOM 802 O ARG A 110 -1.388 -9.163 -3.274 1.00 21.32 O ATOM 803 CB ARG A 110 1.269 -7.436 -2.584 1.00 31.35 C ATOM 804 CG ARG A 110 1.604 -8.068 -3.952 1.00 34.34 C ATOM 805 CD ARG A 110 3.108 -8.292 -4.147 1.00 31.22 C ATOM 806 NE ARG A 110 3.407 -8.965 -5.424 1.00 30.44 N ATOM 807 CZ ARG A 110 4.619 -9.408 -5.813 1.00 25.50 C ATOM 808 NH1 ARG A 110 5.684 -9.243 -5.036 1.00 5.43 N ATOM 809 NH2 ARG A 110 4.742 -10.040 -6.975 1.00 62.34 N ATOM 0 H ARG A 110 0.460 -6.467 -0.463 1.00 65.31 H new ATOM 0 HA ARG A 110 -0.713 -6.690 -3.060 1.00 1.53 H new ATOM 0 HB2 ARG A 110 1.734 -6.452 -2.534 1.00 31.35 H new ATOM 0 HB3 ARG A 110 1.724 -8.043 -1.801 1.00 31.35 H new ATOM 0 HG2 ARG A 110 1.084 -9.021 -4.045 1.00 34.34 H new ATOM 0 HG3 ARG A 110 1.231 -7.423 -4.747 1.00 34.34 H new ATOM 0 HD2 ARG A 110 3.624 -7.333 -4.114 1.00 31.22 H new ATOM 0 HD3 ARG A 110 3.495 -8.891 -3.323 1.00 31.22 H new ATOM 0 HE ARG A 110 2.630 -9.108 -6.069 1.00 30.44 H new ATOM 0 HH11 ARG A 110 5.590 -8.777 -4.134 1.00 5.43 H new ATOM 0 HH12 ARG A 110 6.596 -9.583 -5.342 1.00 5.43 H new ATOM 0 HH21 ARG A 110 3.923 -10.187 -7.565 1.00 62.34 H new ATOM 0 HH22 ARG A 110 5.655 -10.379 -7.277 1.00 62.34 H new ATOM 823 N ALA A 111 -1.031 -9.240 -1.021 1.00 44.03 N ATOM 824 CA ALA A 111 -1.762 -10.494 -0.781 1.00 1.53 C ATOM 825 C ALA A 111 -3.261 -10.262 -0.969 1.00 2.04 C ATOM 826 O ALA A 111 -3.945 -11.039 -1.624 1.00 54.01 O ATOM 827 CB ALA A 111 -1.478 -11.032 0.630 1.00 1.42 C ATOM 0 H ALA A 111 -0.599 -8.851 -0.183 1.00 44.03 H new ATOM 0 HA ALA A 111 -1.422 -11.239 -1.501 1.00 1.53 H new ATOM 0 HB1 ALA A 111 -2.030 -11.959 0.784 1.00 1.42 H new ATOM 0 HB2 ALA A 111 -0.410 -11.223 0.739 1.00 1.42 H new ATOM 0 HB3 ALA A 111 -1.792 -10.296 1.370 1.00 1.42 H new ATOM 833 N LEU A 112 -3.744 -9.144 -0.421 1.00 14.33 N ATOM 834 CA LEU A 112 -5.161 -8.765 -0.486 1.00 74.41 C ATOM 835 C LEU A 112 -5.554 -8.293 -1.892 1.00 63.44 C ATOM 836 O LEU A 112 -6.723 -8.389 -2.263 1.00 64.24 O ATOM 837 CB LEU A 112 -5.459 -7.692 0.589 1.00 61.23 C ATOM 838 CG LEU A 112 -5.241 -8.160 2.064 1.00 3.31 C ATOM 839 CD1 LEU A 112 -5.418 -6.995 3.059 1.00 12.34 C ATOM 840 CD2 LEU A 112 -6.161 -9.354 2.414 1.00 55.34 C ATOM 0 H LEU A 112 -3.163 -8.473 0.082 1.00 14.33 H new ATOM 0 HA LEU A 112 -5.772 -9.643 -0.276 1.00 74.41 H new ATOM 0 HB2 LEU A 112 -4.826 -6.825 0.401 1.00 61.23 H new ATOM 0 HB3 LEU A 112 -6.492 -7.363 0.476 1.00 61.23 H new ATOM 0 HG LEU A 112 -4.210 -8.504 2.152 1.00 3.31 H new ATOM 0 HD11 LEU A 112 -5.259 -7.357 4.075 1.00 12.34 H new ATOM 0 HD12 LEU A 112 -4.693 -6.212 2.835 1.00 12.34 H new ATOM 0 HD13 LEU A 112 -6.427 -6.592 2.971 1.00 12.34 H new ATOM 0 HD21 LEU A 112 -5.987 -9.657 3.446 1.00 55.34 H new ATOM 0 HD22 LEU A 112 -7.203 -9.058 2.294 1.00 55.34 H new ATOM 0 HD23 LEU A 112 -5.942 -10.189 1.749 1.00 55.34 H new ATOM 852 N VAL A 113 -4.572 -7.802 -2.680 1.00 71.15 N ATOM 853 CA VAL A 113 -4.805 -7.433 -4.080 1.00 34.32 C ATOM 854 C VAL A 113 -4.882 -8.697 -4.950 1.00 21.31 C ATOM 855 O VAL A 113 -5.788 -8.826 -5.762 1.00 13.43 O ATOM 856 CB VAL A 113 -3.717 -6.446 -4.657 1.00 71.33 C ATOM 857 CG1 VAL A 113 -4.026 -6.075 -6.127 1.00 72.33 C ATOM 858 CG2 VAL A 113 -3.591 -5.169 -3.801 1.00 53.34 C ATOM 0 H VAL A 113 -3.614 -7.655 -2.364 1.00 71.15 H new ATOM 0 HA VAL A 113 -5.755 -6.899 -4.107 1.00 34.32 H new ATOM 0 HB VAL A 113 -2.762 -6.969 -4.622 1.00 71.33 H new ATOM 0 HG11 VAL A 113 -3.260 -5.394 -6.499 1.00 72.33 H new ATOM 0 HG12 VAL A 113 -4.035 -6.979 -6.736 1.00 72.33 H new ATOM 0 HG13 VAL A 113 -5.001 -5.590 -6.183 1.00 72.33 H new ATOM 0 HG21 VAL A 113 -2.832 -4.516 -4.232 1.00 53.34 H new ATOM 0 HG22 VAL A 113 -4.549 -4.649 -3.781 1.00 53.34 H new ATOM 0 HG23 VAL A 113 -3.303 -5.439 -2.785 1.00 53.34 H new ATOM 868 N ARG A 114 -3.946 -9.649 -4.743 1.00 70.14 N ATOM 869 CA ARG A 114 -3.850 -10.862 -5.587 1.00 21.14 C ATOM 870 C ARG A 114 -5.037 -11.820 -5.336 1.00 64.51 C ATOM 871 O ARG A 114 -5.502 -12.493 -6.265 1.00 11.35 O ATOM 872 CB ARG A 114 -2.494 -11.601 -5.388 1.00 51.40 C ATOM 873 CG ARG A 114 -2.337 -12.344 -4.046 1.00 1.25 C ATOM 874 CD ARG A 114 -1.026 -13.136 -3.939 1.00 42.21 C ATOM 875 NE ARG A 114 0.175 -12.280 -3.958 1.00 1.44 N ATOM 876 CZ ARG A 114 1.078 -12.220 -4.953 1.00 73.33 C ATOM 877 NH1 ARG A 114 0.941 -12.951 -6.054 1.00 22.43 N ATOM 878 NH2 ARG A 114 2.130 -11.444 -4.828 1.00 12.14 N ATOM 0 H ARG A 114 -3.248 -9.602 -4.001 1.00 70.14 H new ATOM 0 HA ARG A 114 -3.896 -10.530 -6.624 1.00 21.14 H new ATOM 0 HB2 ARG A 114 -2.368 -12.319 -6.198 1.00 51.40 H new ATOM 0 HB3 ARG A 114 -1.687 -10.874 -5.478 1.00 51.40 H new ATOM 0 HG2 ARG A 114 -2.384 -11.622 -3.231 1.00 1.25 H new ATOM 0 HG3 ARG A 114 -3.177 -13.026 -3.916 1.00 1.25 H new ATOM 0 HD2 ARG A 114 -1.035 -13.717 -3.017 1.00 42.21 H new ATOM 0 HD3 ARG A 114 -0.970 -13.847 -4.764 1.00 42.21 H new ATOM 0 HE ARG A 114 0.334 -11.682 -3.147 1.00 1.44 H new ATOM 0 HH11 ARG A 114 0.139 -13.573 -6.157 1.00 22.43 H new ATOM 0 HH12 ARG A 114 1.638 -12.890 -6.797 1.00 22.43 H new ATOM 0 HH21 ARG A 114 2.258 -10.892 -3.980 1.00 12.14 H new ATOM 0 HH22 ARG A 114 2.819 -11.394 -5.579 1.00 12.14 H new ATOM 892 N GLU A 115 -5.530 -11.866 -4.078 1.00 24.31 N ATOM 893 CA GLU A 115 -6.707 -12.678 -3.728 1.00 61.24 C ATOM 894 C GLU A 115 -7.964 -12.037 -4.312 1.00 12.35 C ATOM 895 O GLU A 115 -8.845 -12.735 -4.818 1.00 4.50 O ATOM 896 CB GLU A 115 -6.852 -12.851 -2.194 1.00 63.55 C ATOM 897 CG GLU A 115 -5.690 -13.609 -1.524 1.00 32.20 C ATOM 898 CD GLU A 115 -5.473 -15.024 -2.088 1.00 0.23 C ATOM 899 OE1 GLU A 115 -6.222 -15.944 -1.703 1.00 65.23 O ATOM 900 OE2 GLU A 115 -4.546 -15.225 -2.914 1.00 3.13 O ATOM 0 H GLU A 115 -5.130 -11.351 -3.294 1.00 24.31 H new ATOM 0 HA GLU A 115 -6.572 -13.672 -4.155 1.00 61.24 H new ATOM 0 HB2 GLU A 115 -6.938 -11.865 -1.736 1.00 63.55 H new ATOM 0 HB3 GLU A 115 -7.782 -13.381 -1.987 1.00 63.55 H new ATOM 0 HG2 GLU A 115 -4.773 -13.033 -1.647 1.00 32.20 H new ATOM 0 HG3 GLU A 115 -5.882 -13.679 -0.453 1.00 32.20 H new ATOM 907 N CYS A 116 -8.004 -10.697 -4.265 1.00 1.11 N ATOM 908 CA CYS A 116 -9.119 -9.909 -4.806 1.00 72.35 C ATOM 909 C CYS A 116 -9.174 -10.015 -6.332 1.00 53.50 C ATOM 910 O CYS A 116 -10.251 -10.108 -6.901 1.00 23.51 O ATOM 911 CB CYS A 116 -8.988 -8.438 -4.384 1.00 22.21 C ATOM 912 SG CYS A 116 -10.310 -7.361 -4.977 1.00 71.21 S ATOM 0 H CYS A 116 -7.264 -10.130 -3.851 1.00 1.11 H new ATOM 0 HA CYS A 116 -10.047 -10.313 -4.400 1.00 72.35 H new ATOM 0 HB2 CYS A 116 -8.958 -8.388 -3.296 1.00 22.21 H new ATOM 0 HB3 CYS A 116 -8.035 -8.054 -4.747 1.00 22.21 H new ATOM 0 HG CYS A 116 -10.482 -6.383 -4.138 1.00 71.21 H new ATOM 918 N LEU A 117 -7.990 -10.042 -6.974 1.00 43.30 N ATOM 919 CA LEU A 117 -7.855 -10.120 -8.445 1.00 65.50 C ATOM 920 C LEU A 117 -8.567 -11.359 -9.010 1.00 54.43 C ATOM 921 O LEU A 117 -9.095 -11.311 -10.116 1.00 10.31 O ATOM 922 CB LEU A 117 -6.345 -10.103 -8.855 1.00 63.13 C ATOM 923 CG LEU A 117 -5.689 -8.694 -9.042 1.00 30.20 C ATOM 924 CD1 LEU A 117 -4.152 -8.796 -9.154 1.00 14.41 C ATOM 925 CD2 LEU A 117 -6.287 -7.982 -10.275 1.00 21.03 C ATOM 0 H LEU A 117 -7.095 -10.010 -6.486 1.00 43.30 H new ATOM 0 HA LEU A 117 -8.339 -9.243 -8.875 1.00 65.50 H new ATOM 0 HB2 LEU A 117 -5.779 -10.645 -8.097 1.00 63.13 H new ATOM 0 HB3 LEU A 117 -6.238 -10.656 -9.788 1.00 63.13 H new ATOM 0 HG LEU A 117 -5.912 -8.099 -8.156 1.00 30.20 H new ATOM 0 HD11 LEU A 117 -3.730 -7.799 -9.283 1.00 14.41 H new ATOM 0 HD12 LEU A 117 -3.750 -9.246 -8.246 1.00 14.41 H new ATOM 0 HD13 LEU A 117 -3.890 -9.415 -10.012 1.00 14.41 H new ATOM 0 HD21 LEU A 117 -5.821 -7.004 -10.392 1.00 21.03 H new ATOM 0 HD22 LEU A 117 -6.102 -8.581 -11.167 1.00 21.03 H new ATOM 0 HD23 LEU A 117 -7.361 -7.858 -10.138 1.00 21.03 H new ATOM 937 N ALA A 118 -8.570 -12.449 -8.226 1.00 1.15 N ATOM 938 CA ALA A 118 -9.239 -13.708 -8.589 1.00 42.12 C ATOM 939 C ALA A 118 -10.744 -13.513 -8.871 1.00 31.13 C ATOM 940 O ALA A 118 -11.272 -14.050 -9.856 1.00 32.44 O ATOM 941 CB ALA A 118 -9.014 -14.753 -7.491 1.00 40.42 C ATOM 0 H ALA A 118 -8.106 -12.481 -7.318 1.00 1.15 H new ATOM 0 HA ALA A 118 -8.795 -14.065 -9.518 1.00 42.12 H new ATOM 0 HB1 ALA A 118 -9.512 -15.683 -7.766 1.00 40.42 H new ATOM 0 HB2 ALA A 118 -7.945 -14.934 -7.375 1.00 40.42 H new ATOM 0 HB3 ALA A 118 -9.424 -14.386 -6.550 1.00 40.42 H new ATOM 947 N GLU A 119 -11.437 -12.763 -7.997 1.00 13.04 N ATOM 948 CA GLU A 119 -12.864 -12.441 -8.193 1.00 24.21 C ATOM 949 C GLU A 119 -13.055 -11.206 -9.092 1.00 43.22 C ATOM 950 O GLU A 119 -13.972 -11.185 -9.895 1.00 23.24 O ATOM 951 CB GLU A 119 -13.576 -12.246 -6.827 1.00 52.30 C ATOM 952 CG GLU A 119 -13.049 -11.079 -5.977 1.00 64.01 C ATOM 953 CD GLU A 119 -13.716 -10.990 -4.602 1.00 74.31 C ATOM 954 OE1 GLU A 119 -13.261 -11.686 -3.665 1.00 1.03 O ATOM 955 OE2 GLU A 119 -14.691 -10.225 -4.455 1.00 11.33 O ATOM 0 H GLU A 119 -11.034 -12.368 -7.148 1.00 13.04 H new ATOM 0 HA GLU A 119 -13.322 -13.288 -8.704 1.00 24.21 H new ATOM 0 HB2 GLU A 119 -14.640 -12.092 -7.008 1.00 52.30 H new ATOM 0 HB3 GLU A 119 -13.481 -13.166 -6.251 1.00 52.30 H new ATOM 0 HG2 GLU A 119 -11.973 -11.190 -5.846 1.00 64.01 H new ATOM 0 HG3 GLU A 119 -13.210 -10.144 -6.514 1.00 64.01 H new ATOM 962 N THR A 120 -12.139 -10.220 -8.998 1.00 3.13 N ATOM 963 CA THR A 120 -12.301 -8.888 -9.633 1.00 52.14 C ATOM 964 C THR A 120 -12.110 -8.973 -11.158 1.00 2.32 C ATOM 965 O THR A 120 -12.682 -8.180 -11.906 1.00 23.31 O ATOM 966 CB THR A 120 -11.308 -7.840 -9.005 1.00 14.23 C ATOM 967 OG1 THR A 120 -11.511 -7.788 -7.586 1.00 73.22 O ATOM 968 CG2 THR A 120 -11.488 -6.414 -9.567 1.00 44.21 C ATOM 0 H THR A 120 -11.266 -10.321 -8.481 1.00 3.13 H new ATOM 0 HA THR A 120 -13.319 -8.550 -9.440 1.00 52.14 H new ATOM 0 HB THR A 120 -10.302 -8.173 -9.261 1.00 14.23 H new ATOM 0 HG1 THR A 120 -10.656 -7.613 -7.139 1.00 73.22 H new ATOM 0 HG21 THR A 120 -10.773 -5.743 -9.092 1.00 44.21 H new ATOM 0 HG22 THR A 120 -11.317 -6.423 -10.643 1.00 44.21 H new ATOM 0 HG23 THR A 120 -12.501 -6.068 -9.363 1.00 44.21 H new ATOM 976 N GLU A 121 -11.300 -9.935 -11.612 1.00 52.44 N ATOM 977 CA GLU A 121 -11.130 -10.207 -13.051 1.00 45.32 C ATOM 978 C GLU A 121 -12.459 -10.698 -13.673 1.00 72.42 C ATOM 979 O GLU A 121 -12.824 -10.295 -14.777 1.00 21.02 O ATOM 980 CB GLU A 121 -10.004 -11.247 -13.285 1.00 33.41 C ATOM 981 CG GLU A 121 -10.270 -12.638 -12.680 1.00 51.24 C ATOM 982 CD GLU A 121 -9.187 -13.668 -13.006 1.00 25.35 C ATOM 983 OE1 GLU A 121 -9.185 -14.185 -14.140 1.00 15.32 O ATOM 984 OE2 GLU A 121 -8.343 -13.974 -12.132 1.00 33.11 O ATOM 0 H GLU A 121 -10.749 -10.542 -11.005 1.00 52.44 H new ATOM 0 HA GLU A 121 -10.843 -9.277 -13.541 1.00 45.32 H new ATOM 0 HB2 GLU A 121 -9.849 -11.357 -14.358 1.00 33.41 H new ATOM 0 HB3 GLU A 121 -9.076 -10.856 -12.867 1.00 33.41 H new ATOM 0 HG2 GLU A 121 -10.355 -12.543 -11.597 1.00 51.24 H new ATOM 0 HG3 GLU A 121 -11.230 -13.005 -13.044 1.00 51.24 H new ATOM 991 N ARG A 122 -13.183 -11.547 -12.916 1.00 51.10 N ATOM 992 CA ARG A 122 -14.456 -12.151 -13.340 1.00 0.35 C ATOM 993 C ARG A 122 -15.617 -11.174 -13.102 1.00 51.41 C ATOM 994 O ARG A 122 -16.571 -11.119 -13.880 1.00 40.33 O ATOM 995 CB ARG A 122 -14.685 -13.478 -12.560 1.00 13.10 C ATOM 996 CG ARG A 122 -13.559 -14.524 -12.760 1.00 73.22 C ATOM 997 CD ARG A 122 -13.844 -15.854 -12.043 1.00 41.22 C ATOM 998 NE ARG A 122 -15.107 -16.476 -12.502 1.00 11.42 N ATOM 999 CZ ARG A 122 -15.207 -17.544 -13.319 1.00 1.11 C ATOM 1000 NH1 ARG A 122 -14.123 -18.156 -13.789 1.00 14.43 N ATOM 1001 NH2 ARG A 122 -16.402 -17.980 -13.679 1.00 33.24 N ATOM 0 H ARG A 122 -12.893 -11.834 -11.981 1.00 51.10 H new ATOM 0 HA ARG A 122 -14.413 -12.370 -14.407 1.00 0.35 H new ATOM 0 HB2 ARG A 122 -14.774 -13.253 -11.497 1.00 13.10 H new ATOM 0 HB3 ARG A 122 -15.633 -13.914 -12.874 1.00 13.10 H new ATOM 0 HG2 ARG A 122 -13.430 -14.712 -13.826 1.00 73.22 H new ATOM 0 HG3 ARG A 122 -12.619 -14.113 -12.392 1.00 73.22 H new ATOM 0 HD2 ARG A 122 -13.017 -16.543 -12.216 1.00 41.22 H new ATOM 0 HD3 ARG A 122 -13.895 -15.682 -10.968 1.00 41.22 H new ATOM 0 HE ARG A 122 -15.978 -16.060 -12.171 1.00 11.42 H new ATOM 0 HH11 ARG A 122 -13.195 -17.819 -13.532 1.00 14.43 H new ATOM 0 HH12 ARG A 122 -14.220 -18.963 -14.406 1.00 14.43 H new ATOM 0 HH21 ARG A 122 -17.240 -17.509 -13.339 1.00 33.24 H new ATOM 0 HH22 ARG A 122 -16.486 -18.787 -14.297 1.00 33.24 H new ATOM 1015 N ASN A 123 -15.488 -10.377 -12.034 1.00 23.25 N ATOM 1016 CA ASN A 123 -16.531 -9.453 -11.549 1.00 71.43 C ATOM 1017 C ASN A 123 -16.147 -7.999 -11.835 1.00 62.31 C ATOM 1018 O ASN A 123 -16.581 -7.084 -11.126 1.00 25.41 O ATOM 1019 CB ASN A 123 -16.758 -9.674 -10.025 1.00 52.35 C ATOM 1020 CG ASN A 123 -17.458 -10.997 -9.723 1.00 33.25 C ATOM 1021 OD1 ASN A 123 -18.782 -10.969 -9.664 1.00 14.42 O flip ATOM 1022 ND2 ASN A 123 -16.817 -12.032 -9.537 1.00 13.30 N flip ATOM 0 H ASN A 123 -14.639 -10.353 -11.468 1.00 23.25 H new ATOM 0 HA ASN A 123 -17.460 -9.661 -12.079 1.00 71.43 H new ATOM 0 HB2 ASN A 123 -15.797 -9.650 -9.511 1.00 52.35 H new ATOM 0 HB3 ASN A 123 -17.354 -8.853 -9.627 1.00 52.35 H new ATOM 0 HD21 ASN A 123 -15.798 -12.018 -9.590 1.00 13.30 H new ATOM 0 HD22 ASN A 123 -17.305 -12.904 -9.330 1.00 13.30 H new ATOM 1029 N ALA A 124 -15.357 -7.797 -12.902 1.00 34.21 N ATOM 1030 CA ALA A 124 -15.013 -6.456 -13.416 1.00 21.24 C ATOM 1031 C ALA A 124 -16.276 -5.738 -13.919 1.00 43.24 C ATOM 1032 O ALA A 124 -16.412 -4.515 -13.804 1.00 3.24 O ATOM 1033 CB ALA A 124 -13.979 -6.594 -14.535 1.00 65.23 C ATOM 0 H ALA A 124 -14.937 -8.558 -13.435 1.00 34.21 H new ATOM 0 HA ALA A 124 -14.585 -5.856 -12.613 1.00 21.24 H new ATOM 0 HB1 ALA A 124 -13.722 -5.606 -14.917 1.00 65.23 H new ATOM 0 HB2 ALA A 124 -13.083 -7.076 -14.145 1.00 65.23 H new ATOM 0 HB3 ALA A 124 -14.394 -7.198 -15.342 1.00 65.23 H new ATOM 1039 N ARG A 125 -17.198 -6.540 -14.474 1.00 14.04 N ATOM 1040 CA ARG A 125 -18.525 -6.106 -14.923 1.00 1.31 C ATOM 1041 C ARG A 125 -19.554 -7.139 -14.441 1.00 4.32 C ATOM 1042 O ARG A 125 -19.802 -8.140 -15.125 1.00 51.14 O ATOM 1043 CB ARG A 125 -18.561 -5.972 -16.475 1.00 70.32 C ATOM 1044 CG ARG A 125 -17.629 -4.894 -17.069 1.00 24.42 C ATOM 1045 CD ARG A 125 -17.683 -4.839 -18.605 1.00 14.34 C ATOM 1046 NE ARG A 125 -16.859 -3.748 -19.147 1.00 54.03 N ATOM 1047 CZ ARG A 125 -16.708 -3.470 -20.451 1.00 71.20 C ATOM 1048 NH1 ARG A 125 -17.319 -4.208 -21.386 1.00 72.20 N ATOM 1049 NH2 ARG A 125 -15.971 -2.427 -20.812 1.00 53.31 N ATOM 0 H ARG A 125 -17.034 -7.535 -14.626 1.00 14.04 H new ATOM 0 HA ARG A 125 -18.760 -5.127 -14.506 1.00 1.31 H new ATOM 0 HB2 ARG A 125 -18.299 -6.936 -16.912 1.00 70.32 H new ATOM 0 HB3 ARG A 125 -19.584 -5.752 -16.780 1.00 70.32 H new ATOM 0 HG2 ARG A 125 -17.905 -3.920 -16.665 1.00 24.42 H new ATOM 0 HG3 ARG A 125 -16.605 -5.092 -16.753 1.00 24.42 H new ATOM 0 HD2 ARG A 125 -17.340 -5.790 -19.014 1.00 14.34 H new ATOM 0 HD3 ARG A 125 -18.716 -4.707 -18.927 1.00 14.34 H new ATOM 0 HE ARG A 125 -16.364 -3.157 -18.480 1.00 54.03 H new ATOM 0 HH11 ARG A 125 -17.909 -4.994 -21.111 1.00 72.20 H new ATOM 0 HH12 ARG A 125 -17.195 -3.985 -22.374 1.00 72.20 H new ATOM 0 HH21 ARG A 125 -15.526 -1.846 -20.101 1.00 53.31 H new ATOM 0 HH22 ARG A 125 -15.849 -2.206 -21.800 1.00 53.31 H new ATOM 1063 N THR A 126 -20.096 -6.931 -13.228 1.00 22.11 N ATOM 1064 CA THR A 126 -21.084 -7.843 -12.625 1.00 61.22 C ATOM 1065 C THR A 126 -22.521 -7.336 -12.928 1.00 41.12 C ATOM 1066 O THR A 126 -23.120 -7.787 -13.928 1.00 32.54 O ATOM 1067 CB THR A 126 -20.849 -7.971 -11.083 1.00 10.01 C ATOM 1068 OG1 THR A 126 -19.469 -8.201 -10.810 1.00 24.43 O ATOM 1069 CG2 THR A 126 -21.676 -9.112 -10.461 1.00 62.51 C ATOM 1070 OXT THR A 126 -23.022 -6.447 -12.197 1.00 37.70 O ATOM 0 H THR A 126 -19.863 -6.130 -12.641 1.00 22.11 H new ATOM 0 HA THR A 126 -20.964 -8.834 -13.062 1.00 61.22 H new ATOM 0 HB THR A 126 -21.171 -7.031 -10.636 1.00 10.01 H new ATOM 0 HG1 THR A 126 -19.353 -9.105 -10.449 1.00 24.43 H new ATOM 0 HG21 THR A 126 -21.480 -9.162 -9.390 1.00 62.51 H new ATOM 0 HG22 THR A 126 -22.737 -8.925 -10.627 1.00 62.51 H new ATOM 0 HG23 THR A 126 -21.398 -10.058 -10.925 1.00 62.51 H new TER 1078 THR A 126 ATOM 1079 N SER B 58 4.909 -23.459 2.613 1.00 52.53 N ATOM 1080 CA SER B 58 5.986 -22.768 3.348 1.00 60.41 C ATOM 1081 C SER B 58 6.908 -22.024 2.370 1.00 65.24 C ATOM 1082 O SER B 58 7.077 -20.802 2.469 1.00 21.51 O ATOM 1083 CB SER B 58 6.770 -23.788 4.199 1.00 64.30 C ATOM 1084 OG SER B 58 7.254 -24.857 3.402 1.00 45.43 O ATOM 0 HA SER B 58 5.551 -22.026 4.018 1.00 60.41 H new ATOM 0 HB2 SER B 58 7.606 -23.290 4.690 1.00 64.30 H new ATOM 0 HB3 SER B 58 6.126 -24.180 4.986 1.00 64.30 H new ATOM 0 HG SER B 58 6.552 -25.147 2.783 1.00 45.43 H new ATOM 1092 N HIS B 59 7.509 -22.772 1.426 1.00 55.40 N ATOM 1093 CA HIS B 59 8.372 -22.204 0.378 1.00 45.52 C ATOM 1094 C HIS B 59 7.500 -21.467 -0.659 1.00 64.45 C ATOM 1095 O HIS B 59 7.019 -22.063 -1.635 1.00 71.25 O ATOM 1096 CB HIS B 59 9.224 -23.325 -0.269 1.00 41.41 C ATOM 1097 CG HIS B 59 10.232 -22.856 -1.298 1.00 74.51 C ATOM 1098 ND1 HIS B 59 9.966 -22.804 -2.651 1.00 35.40 N ATOM 1099 CD2 HIS B 59 11.522 -22.450 -1.164 1.00 32.15 C ATOM 1100 CE1 HIS B 59 11.033 -22.387 -3.296 1.00 3.42 C ATOM 1101 NE2 HIS B 59 11.998 -22.168 -2.426 1.00 60.11 N ATOM 0 H HIS B 59 7.409 -23.786 1.370 1.00 55.40 H new ATOM 0 HA HIS B 59 9.062 -21.480 0.811 1.00 45.52 H new ATOM 0 HB2 HIS B 59 9.755 -23.857 0.520 1.00 41.41 H new ATOM 0 HB3 HIS B 59 8.553 -24.042 -0.742 1.00 41.41 H new ATOM 0 HD2 HIS B 59 12.073 -22.364 -0.239 1.00 32.15 H new ATOM 0 HE1 HIS B 59 11.107 -22.247 -4.364 1.00 3.42 H new ATOM 0 HE2 HIS B 59 12.939 -21.844 -2.649 1.00 60.11 H new ATOM 1110 N MET B 60 7.260 -20.176 -0.383 1.00 52.20 N ATOM 1111 CA MET B 60 6.393 -19.315 -1.199 1.00 54.30 C ATOM 1112 C MET B 60 7.120 -18.893 -2.493 1.00 35.23 C ATOM 1113 O MET B 60 7.983 -18.009 -2.471 1.00 51.32 O ATOM 1114 CB MET B 60 5.943 -18.068 -0.382 1.00 14.44 C ATOM 1115 CG MET B 60 5.147 -18.375 0.897 1.00 50.22 C ATOM 1116 SD MET B 60 4.575 -16.872 1.733 1.00 44.22 S ATOM 1117 CE MET B 60 3.440 -17.534 2.961 1.00 62.33 C ATOM 0 H MET B 60 7.666 -19.697 0.420 1.00 52.20 H new ATOM 0 HA MET B 60 5.502 -19.878 -1.477 1.00 54.30 H new ATOM 0 HB2 MET B 60 6.828 -17.493 -0.110 1.00 14.44 H new ATOM 0 HB3 MET B 60 5.335 -17.432 -1.025 1.00 14.44 H new ATOM 0 HG2 MET B 60 4.288 -18.997 0.646 1.00 50.22 H new ATOM 0 HG3 MET B 60 5.770 -18.952 1.580 1.00 50.22 H new ATOM 0 HE1 MET B 60 3.017 -16.716 3.544 1.00 62.33 H new ATOM 0 HE2 MET B 60 2.637 -18.075 2.460 1.00 62.33 H new ATOM 0 HE3 MET B 60 3.977 -18.213 3.624 1.00 62.33 H new ATOM 1127 N ALA B 61 6.776 -19.564 -3.605 1.00 55.03 N ATOM 1128 CA ALA B 61 7.367 -19.303 -4.927 1.00 42.42 C ATOM 1129 C ALA B 61 6.299 -19.465 -6.019 1.00 63.13 C ATOM 1130 O ALA B 61 6.074 -20.570 -6.536 1.00 5.14 O ATOM 1131 CB ALA B 61 8.571 -20.231 -5.160 1.00 41.30 C ATOM 0 H ALA B 61 6.077 -20.306 -3.611 1.00 55.03 H new ATOM 0 HA ALA B 61 7.731 -18.276 -4.969 1.00 42.42 H new ATOM 0 HB1 ALA B 61 9.001 -20.030 -6.141 1.00 41.30 H new ATOM 0 HB2 ALA B 61 9.322 -20.052 -4.391 1.00 41.30 H new ATOM 0 HB3 ALA B 61 8.244 -21.270 -5.113 1.00 41.30 H new ATOM 1137 N MET B 62 5.614 -18.355 -6.325 1.00 2.34 N ATOM 1138 CA MET B 62 4.563 -18.290 -7.353 1.00 53.21 C ATOM 1139 C MET B 62 4.644 -16.935 -8.075 1.00 50.32 C ATOM 1140 O MET B 62 5.105 -15.943 -7.494 1.00 13.34 O ATOM 1141 CB MET B 62 3.151 -18.501 -6.720 1.00 33.41 C ATOM 1142 CG MET B 62 2.623 -17.339 -5.858 1.00 61.14 C ATOM 1143 SD MET B 62 3.649 -16.986 -4.408 1.00 74.45 S ATOM 1144 CE MET B 62 2.922 -15.455 -3.808 1.00 20.13 C ATOM 0 H MET B 62 5.776 -17.462 -5.859 1.00 2.34 H new ATOM 0 HA MET B 62 4.719 -19.090 -8.076 1.00 53.21 H new ATOM 0 HB2 MET B 62 2.438 -18.686 -7.523 1.00 33.41 H new ATOM 0 HB3 MET B 62 3.180 -19.401 -6.105 1.00 33.41 H new ATOM 0 HG2 MET B 62 2.558 -16.442 -6.473 1.00 61.14 H new ATOM 0 HG3 MET B 62 1.611 -17.573 -5.528 1.00 61.14 H new ATOM 0 HE1 MET B 62 3.456 -15.123 -2.918 1.00 20.13 H new ATOM 0 HE2 MET B 62 2.995 -14.690 -4.581 1.00 20.13 H new ATOM 0 HE3 MET B 62 1.874 -15.622 -3.561 1.00 20.13 H new ATOM 1154 N LYS B 63 4.206 -16.905 -9.340 1.00 34.40 N ATOM 1155 CA LYS B 63 4.191 -15.693 -10.164 1.00 25.34 C ATOM 1156 C LYS B 63 3.133 -15.889 -11.278 1.00 61.11 C ATOM 1157 O LYS B 63 3.318 -16.724 -12.171 1.00 74.34 O ATOM 1158 CB LYS B 63 5.620 -15.330 -10.736 1.00 55.51 C ATOM 1159 CG LYS B 63 6.258 -16.296 -11.771 1.00 3.55 C ATOM 1160 CD LYS B 63 6.612 -17.684 -11.196 1.00 74.41 C ATOM 1161 CE LYS B 63 7.091 -18.668 -12.279 1.00 34.14 C ATOM 1162 NZ LYS B 63 7.439 -19.997 -11.708 1.00 71.31 N ATOM 0 H LYS B 63 3.849 -17.729 -9.823 1.00 34.40 H new ATOM 0 HA LYS B 63 3.918 -14.835 -9.549 1.00 25.34 H new ATOM 0 HB2 LYS B 63 5.555 -14.344 -11.196 1.00 55.51 H new ATOM 0 HB3 LYS B 63 6.305 -15.244 -9.893 1.00 55.51 H new ATOM 0 HG2 LYS B 63 5.569 -16.424 -12.606 1.00 3.55 H new ATOM 0 HG3 LYS B 63 7.162 -15.838 -12.171 1.00 3.55 H new ATOM 0 HD2 LYS B 63 7.390 -17.573 -10.441 1.00 74.41 H new ATOM 0 HD3 LYS B 63 5.738 -18.099 -10.694 1.00 74.41 H new ATOM 0 HE2 LYS B 63 6.310 -18.789 -13.030 1.00 34.14 H new ATOM 0 HE3 LYS B 63 7.961 -18.253 -12.788 1.00 34.14 H new ATOM 0 HZ1 LYS B 63 7.757 -20.630 -12.470 1.00 71.31 H new ATOM 0 HZ2 LYS B 63 8.202 -19.886 -11.010 1.00 71.31 H new ATOM 0 HZ3 LYS B 63 6.602 -20.406 -11.245 1.00 71.31 H new ATOM 1176 N PRO B 64 1.939 -15.206 -11.179 1.00 50.33 N ATOM 1177 CA PRO B 64 0.883 -15.269 -12.226 1.00 10.54 C ATOM 1178 C PRO B 64 1.400 -14.739 -13.590 1.00 15.31 C ATOM 1179 O PRO B 64 1.793 -13.570 -13.678 1.00 42.35 O ATOM 1180 CB PRO B 64 -0.262 -14.384 -11.639 1.00 31.33 C ATOM 1181 CG PRO B 64 0.387 -13.535 -10.592 1.00 43.04 C ATOM 1182 CD PRO B 64 1.507 -14.367 -10.025 1.00 1.13 C ATOM 0 HA PRO B 64 0.552 -16.285 -12.440 1.00 10.54 H new ATOM 0 HB2 PRO B 64 -0.720 -13.770 -12.414 1.00 31.33 H new ATOM 0 HB3 PRO B 64 -1.053 -14.999 -11.211 1.00 31.33 H new ATOM 0 HG2 PRO B 64 0.767 -12.608 -11.021 1.00 43.04 H new ATOM 0 HG3 PRO B 64 -0.326 -13.258 -9.816 1.00 43.04 H new ATOM 0 HD2 PRO B 64 2.321 -13.744 -9.655 1.00 1.13 H new ATOM 0 HD3 PRO B 64 1.168 -14.979 -9.189 1.00 1.13 H new ATOM 1190 N PRO B 65 1.461 -15.612 -14.665 1.00 64.30 N ATOM 1191 CA PRO B 65 1.986 -15.220 -15.999 1.00 61.15 C ATOM 1192 C PRO B 65 1.195 -14.036 -16.612 1.00 0.22 C ATOM 1193 O PRO B 65 0.071 -14.207 -17.110 1.00 45.10 O ATOM 1194 CB PRO B 65 1.862 -16.522 -16.847 1.00 42.32 C ATOM 1195 CG PRO B 65 0.865 -17.369 -16.120 1.00 41.45 C ATOM 1196 CD PRO B 65 1.042 -17.043 -14.655 1.00 45.54 C ATOM 0 HA PRO B 65 3.012 -14.855 -15.953 1.00 61.15 H new ATOM 0 HB2 PRO B 65 1.527 -16.302 -17.861 1.00 42.32 H new ATOM 0 HB3 PRO B 65 2.823 -17.030 -16.932 1.00 42.32 H new ATOM 0 HG2 PRO B 65 -0.150 -17.149 -16.450 1.00 41.45 H new ATOM 0 HG3 PRO B 65 1.039 -18.428 -16.309 1.00 41.45 H new ATOM 0 HD2 PRO B 65 0.117 -17.186 -14.097 1.00 45.54 H new ATOM 0 HD3 PRO B 65 1.796 -17.679 -14.191 1.00 45.54 H new ATOM 1204 N GLY B 66 1.805 -12.837 -16.536 1.00 73.40 N ATOM 1205 CA GLY B 66 1.133 -11.590 -16.888 1.00 51.20 C ATOM 1206 C GLY B 66 0.082 -11.228 -15.858 1.00 12.22 C ATOM 1207 O GLY B 66 -1.116 -11.306 -16.140 1.00 42.14 O ATOM 0 H GLY B 66 2.770 -12.715 -16.230 1.00 73.40 H new ATOM 0 HA2 GLY B 66 1.866 -10.787 -16.962 1.00 51.20 H new ATOM 0 HA3 GLY B 66 0.667 -11.688 -17.869 1.00 51.20 H new ATOM 1211 N ALA B 67 0.552 -10.879 -14.647 1.00 41.15 N ATOM 1212 CA ALA B 67 -0.305 -10.526 -13.504 1.00 74.35 C ATOM 1213 C ALA B 67 -1.301 -9.403 -13.871 1.00 11.44 C ATOM 1214 O ALA B 67 -0.904 -8.247 -14.044 1.00 4.21 O ATOM 1215 CB ALA B 67 0.570 -10.112 -12.311 1.00 54.11 C ATOM 0 H ALA B 67 1.548 -10.834 -14.434 1.00 41.15 H new ATOM 0 HA ALA B 67 -0.893 -11.402 -13.229 1.00 74.35 H new ATOM 0 HB1 ALA B 67 -0.067 -9.851 -11.466 1.00 54.11 H new ATOM 0 HB2 ALA B 67 1.221 -10.941 -12.032 1.00 54.11 H new ATOM 0 HB3 ALA B 67 1.178 -9.250 -12.587 1.00 54.11 H new ATOM 1221 N GLN B 68 -2.584 -9.781 -14.023 1.00 22.24 N ATOM 1222 CA GLN B 68 -3.660 -8.864 -14.451 1.00 32.45 C ATOM 1223 C GLN B 68 -5.039 -9.489 -14.188 1.00 14.42 C ATOM 1224 O GLN B 68 -5.904 -8.886 -13.534 1.00 21.01 O ATOM 1225 CB GLN B 68 -3.507 -8.532 -15.961 1.00 52.41 C ATOM 1226 CG GLN B 68 -4.564 -7.573 -16.536 1.00 13.44 C ATOM 1227 CD GLN B 68 -4.358 -7.301 -18.031 1.00 13.30 C ATOM 1228 OE1 GLN B 68 -3.647 -6.374 -18.414 1.00 12.33 O ATOM 1229 NE2 GLN B 68 -4.971 -8.116 -18.877 1.00 41.41 N ATOM 0 H GLN B 68 -2.906 -10.734 -13.852 1.00 22.24 H new ATOM 0 HA GLN B 68 -3.580 -7.943 -13.873 1.00 32.45 H new ATOM 0 HB2 GLN B 68 -2.521 -8.097 -16.122 1.00 52.41 H new ATOM 0 HB3 GLN B 68 -3.541 -9.464 -16.526 1.00 52.41 H new ATOM 0 HG2 GLN B 68 -5.557 -7.996 -16.380 1.00 13.44 H new ATOM 0 HG3 GLN B 68 -4.530 -6.630 -15.990 1.00 13.44 H new ATOM 0 HE21 GLN B 68 -5.553 -8.875 -18.523 1.00 41.41 H new ATOM 0 HE22 GLN B 68 -4.860 -7.985 -19.882 1.00 41.41 H new ATOM 1238 N GLY B 69 -5.230 -10.701 -14.725 1.00 13.33 N ATOM 1239 CA GLY B 69 -6.526 -11.373 -14.708 1.00 43.14 C ATOM 1240 C GLY B 69 -7.445 -10.851 -15.803 1.00 10.31 C ATOM 1241 O GLY B 69 -7.749 -11.568 -16.762 1.00 75.43 O ATOM 0 H GLY B 69 -4.491 -11.237 -15.180 1.00 13.33 H new ATOM 0 HA2 GLY B 69 -6.381 -12.446 -14.835 1.00 43.14 H new ATOM 0 HA3 GLY B 69 -6.998 -11.228 -13.736 1.00 43.14 H new ATOM 1245 N SER B 70 -7.882 -9.594 -15.651 1.00 62.14 N ATOM 1246 CA SER B 70 -8.694 -8.889 -16.654 1.00 51.21 C ATOM 1247 C SER B 70 -8.763 -7.401 -16.297 1.00 21.14 C ATOM 1248 O SER B 70 -8.508 -6.536 -17.143 1.00 33.24 O ATOM 1249 CB SER B 70 -10.117 -9.500 -16.749 1.00 53.32 C ATOM 1250 OG SER B 70 -10.875 -8.909 -17.785 1.00 22.13 O ATOM 0 H SER B 70 -7.681 -9.033 -14.823 1.00 62.14 H new ATOM 0 HA SER B 70 -8.225 -9.001 -17.631 1.00 51.21 H new ATOM 0 HB2 SER B 70 -10.041 -10.573 -16.922 1.00 53.32 H new ATOM 0 HB3 SER B 70 -10.634 -9.366 -15.799 1.00 53.32 H new ATOM 0 HG SER B 70 -11.764 -9.320 -17.815 1.00 22.13 H new ATOM 1256 N GLN B 71 -9.081 -7.121 -15.022 1.00 43.34 N ATOM 1257 CA GLN B 71 -9.277 -5.754 -14.511 1.00 60.53 C ATOM 1258 C GLN B 71 -7.912 -5.090 -14.192 1.00 74.10 C ATOM 1259 O GLN B 71 -7.495 -5.019 -13.032 1.00 73.41 O ATOM 1260 CB GLN B 71 -10.223 -5.800 -13.265 1.00 1.11 C ATOM 1261 CG GLN B 71 -10.790 -4.431 -12.809 1.00 41.42 C ATOM 1262 CD GLN B 71 -11.809 -3.788 -13.779 1.00 21.00 C ATOM 1263 OE1 GLN B 71 -11.777 -3.983 -14.995 1.00 2.30 O ATOM 1264 NE2 GLN B 71 -12.689 -2.964 -13.245 1.00 51.34 N ATOM 0 H GLN B 71 -9.210 -7.842 -14.312 1.00 43.34 H new ATOM 0 HA GLN B 71 -9.753 -5.137 -15.273 1.00 60.53 H new ATOM 0 HB2 GLN B 71 -11.058 -6.464 -13.489 1.00 1.11 H new ATOM 0 HB3 GLN B 71 -9.677 -6.244 -12.432 1.00 1.11 H new ATOM 0 HG2 GLN B 71 -11.267 -4.558 -11.837 1.00 41.42 H new ATOM 0 HG3 GLN B 71 -9.959 -3.740 -12.668 1.00 41.42 H new ATOM 0 HE21 GLN B 71 -12.701 -2.815 -12.236 1.00 51.34 H new ATOM 0 HE22 GLN B 71 -13.358 -2.476 -13.841 1.00 51.34 H new ATOM 1273 N SER B 72 -7.203 -4.653 -15.259 1.00 13.34 N ATOM 1274 CA SER B 72 -5.852 -4.048 -15.158 1.00 31.02 C ATOM 1275 C SER B 72 -5.859 -2.699 -14.426 1.00 22.20 C ATOM 1276 O SER B 72 -4.882 -2.347 -13.759 1.00 14.12 O ATOM 1277 CB SER B 72 -5.246 -3.891 -16.565 1.00 41.43 C ATOM 1278 OG SER B 72 -3.898 -3.447 -16.523 1.00 61.15 O ATOM 0 H SER B 72 -7.551 -4.710 -16.216 1.00 13.34 H new ATOM 0 HA SER B 72 -5.237 -4.723 -14.563 1.00 31.02 H new ATOM 0 HB2 SER B 72 -5.296 -4.846 -17.089 1.00 41.43 H new ATOM 0 HB3 SER B 72 -5.843 -3.181 -17.138 1.00 41.43 H new ATOM 0 HG SER B 72 -3.553 -3.363 -17.436 1.00 61.15 H new ATOM 1284 N THR B 73 -6.943 -1.930 -14.594 1.00 52.21 N ATOM 1285 CA THR B 73 -7.176 -0.697 -13.819 1.00 60.02 C ATOM 1286 C THR B 73 -7.108 -0.956 -12.287 1.00 22.44 C ATOM 1287 O THR B 73 -6.671 -0.080 -11.528 1.00 65.10 O ATOM 1288 CB THR B 73 -8.532 -0.035 -14.226 1.00 73.11 C ATOM 1289 OG1 THR B 73 -8.752 1.188 -13.499 1.00 20.13 O ATOM 1290 CG2 THR B 73 -9.717 -0.984 -14.028 1.00 33.33 C ATOM 0 H THR B 73 -7.681 -2.140 -15.266 1.00 52.21 H new ATOM 0 HA THR B 73 -6.374 0.001 -14.059 1.00 60.02 H new ATOM 0 HB THR B 73 -8.462 0.195 -15.289 1.00 73.11 H new ATOM 0 HG1 THR B 73 -9.606 1.583 -13.773 1.00 20.13 H new ATOM 0 HG21 THR B 73 -10.638 -0.482 -14.323 1.00 33.33 H new ATOM 0 HG22 THR B 73 -9.576 -1.874 -14.641 1.00 33.33 H new ATOM 0 HG23 THR B 73 -9.781 -1.272 -12.979 1.00 33.33 H new ATOM 1298 N TYR B 74 -7.537 -2.159 -11.844 1.00 21.03 N ATOM 1299 CA TYR B 74 -7.362 -2.600 -10.451 1.00 51.04 C ATOM 1300 C TYR B 74 -5.943 -3.176 -10.229 1.00 31.52 C ATOM 1301 O TYR B 74 -5.380 -3.022 -9.146 1.00 64.24 O ATOM 1302 CB TYR B 74 -8.452 -3.630 -10.055 1.00 32.01 C ATOM 1303 CG TYR B 74 -8.240 -4.229 -8.665 1.00 71.20 C ATOM 1304 CD1 TYR B 74 -8.228 -3.417 -7.537 1.00 62.43 C ATOM 1305 CD2 TYR B 74 -7.988 -5.587 -8.489 1.00 20.43 C ATOM 1306 CE1 TYR B 74 -7.962 -3.934 -6.294 1.00 71.13 C ATOM 1307 CE2 TYR B 74 -7.735 -6.113 -7.237 1.00 73.12 C ATOM 1308 CZ TYR B 74 -7.714 -5.277 -6.147 1.00 11.12 C ATOM 1309 OH TYR B 74 -7.420 -5.781 -4.906 1.00 20.13 O ATOM 0 H TYR B 74 -8.008 -2.841 -12.438 1.00 21.03 H new ATOM 0 HA TYR B 74 -7.475 -1.730 -9.804 1.00 51.04 H new ATOM 0 HB2 TYR B 74 -9.429 -3.147 -10.090 1.00 32.01 H new ATOM 0 HB3 TYR B 74 -8.467 -4.434 -10.791 1.00 32.01 H new ATOM 0 HD1 TYR B 74 -8.431 -2.361 -7.641 1.00 62.43 H new ATOM 0 HD2 TYR B 74 -7.990 -6.242 -9.348 1.00 20.43 H new ATOM 0 HE1 TYR B 74 -7.948 -3.285 -5.431 1.00 71.13 H new ATOM 0 HE2 TYR B 74 -7.555 -7.171 -7.116 1.00 73.12 H new ATOM 0 HH TYR B 74 -6.832 -5.158 -4.431 1.00 20.13 H new ATOM 1319 N THR B 75 -5.380 -3.852 -11.241 1.00 52.22 N ATOM 1320 CA THR B 75 -4.016 -4.436 -11.160 1.00 14.25 C ATOM 1321 C THR B 75 -2.932 -3.327 -11.063 1.00 4.01 C ATOM 1322 O THR B 75 -1.777 -3.587 -10.692 1.00 21.51 O ATOM 1323 CB THR B 75 -3.715 -5.354 -12.382 1.00 23.10 C ATOM 1324 OG1 THR B 75 -4.845 -6.201 -12.649 1.00 11.35 O ATOM 1325 CG2 THR B 75 -2.464 -6.225 -12.156 1.00 51.02 C ATOM 0 H THR B 75 -5.845 -4.013 -12.134 1.00 52.22 H new ATOM 0 HA THR B 75 -3.984 -5.040 -10.253 1.00 14.25 H new ATOM 0 HB THR B 75 -3.523 -4.706 -13.237 1.00 23.10 H new ATOM 0 HG1 THR B 75 -5.641 -5.648 -12.796 1.00 11.35 H new ATOM 0 HG21 THR B 75 -2.292 -6.849 -13.033 1.00 51.02 H new ATOM 0 HG22 THR B 75 -1.599 -5.583 -11.992 1.00 51.02 H new ATOM 0 HG23 THR B 75 -2.616 -6.860 -11.283 1.00 51.02 H new ATOM 1333 N ASP B 76 -3.319 -2.089 -11.431 1.00 14.14 N ATOM 1334 CA ASP B 76 -2.497 -0.886 -11.223 1.00 14.12 C ATOM 1335 C ASP B 76 -2.136 -0.758 -9.733 1.00 31.31 C ATOM 1336 O ASP B 76 -0.999 -0.435 -9.390 1.00 43.51 O ATOM 1337 CB ASP B 76 -3.264 0.362 -11.726 1.00 72.04 C ATOM 1338 CG ASP B 76 -2.425 1.651 -11.661 1.00 72.44 C ATOM 1339 OD1 ASP B 76 -2.394 2.312 -10.602 1.00 71.41 O ATOM 1340 OD2 ASP B 76 -1.809 2.024 -12.679 1.00 42.13 O ATOM 0 H ASP B 76 -4.214 -1.898 -11.882 1.00 14.14 H new ATOM 0 HA ASP B 76 -1.570 -0.967 -11.791 1.00 14.12 H new ATOM 0 HB2 ASP B 76 -3.584 0.195 -12.755 1.00 72.04 H new ATOM 0 HB3 ASP B 76 -4.166 0.492 -11.129 1.00 72.04 H new ATOM 1345 N LEU B 77 -3.129 -1.074 -8.873 1.00 63.35 N ATOM 1346 CA LEU B 77 -2.969 -1.112 -7.412 1.00 62.32 C ATOM 1347 C LEU B 77 -1.907 -2.137 -6.992 1.00 44.21 C ATOM 1348 O LEU B 77 -1.107 -1.847 -6.116 1.00 61.43 O ATOM 1349 CB LEU B 77 -4.324 -1.423 -6.720 1.00 53.22 C ATOM 1350 CG LEU B 77 -4.301 -1.535 -5.163 1.00 63.12 C ATOM 1351 CD1 LEU B 77 -3.734 -0.267 -4.509 1.00 61.35 C ATOM 1352 CD2 LEU B 77 -5.702 -1.856 -4.616 1.00 15.30 C ATOM 0 H LEU B 77 -4.072 -1.311 -9.182 1.00 63.35 H new ATOM 0 HA LEU B 77 -2.631 -0.127 -7.091 1.00 62.32 H new ATOM 0 HB2 LEU B 77 -5.035 -0.644 -6.996 1.00 53.22 H new ATOM 0 HB3 LEU B 77 -4.706 -2.360 -7.124 1.00 53.22 H new ATOM 0 HG LEU B 77 -3.636 -2.359 -4.905 1.00 63.12 H new ATOM 0 HD11 LEU B 77 -3.735 -0.385 -3.425 1.00 61.35 H new ATOM 0 HD12 LEU B 77 -2.713 -0.104 -4.855 1.00 61.35 H new ATOM 0 HD13 LEU B 77 -4.351 0.590 -4.781 1.00 61.35 H new ATOM 0 HD21 LEU B 77 -5.660 -1.929 -3.529 1.00 15.30 H new ATOM 0 HD22 LEU B 77 -6.394 -1.063 -4.900 1.00 15.30 H new ATOM 0 HD23 LEU B 77 -6.046 -2.804 -5.030 1.00 15.30 H new ATOM 1364 N LEU B 78 -1.908 -3.326 -7.632 1.00 71.34 N ATOM 1365 CA LEU B 78 -0.899 -4.391 -7.382 1.00 44.41 C ATOM 1366 C LEU B 78 0.527 -3.835 -7.575 1.00 2.53 C ATOM 1367 O LEU B 78 1.441 -4.116 -6.786 1.00 74.33 O ATOM 1368 CB LEU B 78 -1.157 -5.590 -8.341 1.00 63.14 C ATOM 1369 CG LEU B 78 -0.315 -6.888 -8.102 1.00 10.50 C ATOM 1370 CD1 LEU B 78 -0.692 -7.585 -6.776 1.00 20.12 C ATOM 1371 CD2 LEU B 78 -0.439 -7.855 -9.301 1.00 64.31 C ATOM 0 H LEU B 78 -2.603 -3.579 -8.334 1.00 71.34 H new ATOM 0 HA LEU B 78 -0.990 -4.737 -6.353 1.00 44.41 H new ATOM 0 HB2 LEU B 78 -2.212 -5.855 -8.276 1.00 63.14 H new ATOM 0 HB3 LEU B 78 -0.976 -5.252 -9.361 1.00 63.14 H new ATOM 0 HG LEU B 78 0.729 -6.588 -8.017 1.00 10.50 H new ATOM 0 HD11 LEU B 78 -0.084 -8.481 -6.650 1.00 20.12 H new ATOM 0 HD12 LEU B 78 -0.513 -6.905 -5.944 1.00 20.12 H new ATOM 0 HD13 LEU B 78 -1.746 -7.862 -6.797 1.00 20.12 H new ATOM 0 HD21 LEU B 78 0.155 -8.749 -9.110 1.00 64.31 H new ATOM 0 HD22 LEU B 78 -1.484 -8.135 -9.436 1.00 64.31 H new ATOM 0 HD23 LEU B 78 -0.076 -7.364 -10.204 1.00 64.31 H new ATOM 1383 N SER B 79 0.670 -3.005 -8.620 1.00 70.50 N ATOM 1384 CA SER B 79 1.926 -2.342 -8.966 1.00 64.35 C ATOM 1385 C SER B 79 2.240 -1.180 -7.999 1.00 25.35 C ATOM 1386 O SER B 79 3.406 -0.924 -7.712 1.00 15.10 O ATOM 1387 CB SER B 79 1.848 -1.849 -10.424 1.00 11.11 C ATOM 1388 OG SER B 79 1.473 -2.907 -11.304 1.00 10.22 O ATOM 0 H SER B 79 -0.096 -2.776 -9.253 1.00 70.50 H new ATOM 0 HA SER B 79 2.743 -3.057 -8.870 1.00 64.35 H new ATOM 0 HB2 SER B 79 1.125 -1.036 -10.498 1.00 11.11 H new ATOM 0 HB3 SER B 79 2.814 -1.445 -10.727 1.00 11.11 H new ATOM 0 HG SER B 79 1.429 -2.568 -12.223 1.00 10.22 H new ATOM 1394 N VAL B 80 1.196 -0.487 -7.493 1.00 73.01 N ATOM 1395 CA VAL B 80 1.353 0.610 -6.513 1.00 64.34 C ATOM 1396 C VAL B 80 1.913 0.062 -5.191 1.00 1.32 C ATOM 1397 O VAL B 80 2.796 0.679 -4.585 1.00 43.44 O ATOM 1398 CB VAL B 80 -0.014 1.361 -6.262 1.00 1.14 C ATOM 1399 CG1 VAL B 80 0.076 2.357 -5.085 1.00 55.14 C ATOM 1400 CG2 VAL B 80 -0.492 2.084 -7.542 1.00 45.35 C ATOM 0 H VAL B 80 0.226 -0.671 -7.751 1.00 73.01 H new ATOM 0 HA VAL B 80 2.057 1.332 -6.927 1.00 64.34 H new ATOM 0 HB VAL B 80 -0.747 0.600 -5.994 1.00 1.14 H new ATOM 0 HG11 VAL B 80 -0.887 2.849 -4.950 1.00 55.14 H new ATOM 0 HG12 VAL B 80 0.340 1.820 -4.174 1.00 55.14 H new ATOM 0 HG13 VAL B 80 0.839 3.105 -5.299 1.00 55.14 H new ATOM 0 HG21 VAL B 80 -1.435 2.593 -7.342 1.00 45.35 H new ATOM 0 HG22 VAL B 80 0.257 2.815 -7.848 1.00 45.35 H new ATOM 0 HG23 VAL B 80 -0.635 1.355 -8.340 1.00 45.35 H new ATOM 1410 N ILE B 81 1.389 -1.107 -4.761 1.00 21.10 N ATOM 1411 CA ILE B 81 1.884 -1.808 -3.566 1.00 42.32 C ATOM 1412 C ILE B 81 3.384 -2.097 -3.711 1.00 53.42 C ATOM 1413 O ILE B 81 4.181 -1.816 -2.808 1.00 62.11 O ATOM 1414 CB ILE B 81 1.117 -3.155 -3.280 1.00 20.23 C ATOM 1415 CG1 ILE B 81 -0.434 -2.969 -3.298 1.00 2.20 C ATOM 1416 CG2 ILE B 81 1.563 -3.744 -1.936 1.00 54.41 C ATOM 1417 CD1 ILE B 81 -0.993 -1.880 -2.389 1.00 0.31 C ATOM 0 H ILE B 81 0.619 -1.583 -5.230 1.00 21.10 H new ATOM 0 HA ILE B 81 1.704 -1.146 -2.719 1.00 42.32 H new ATOM 0 HB ILE B 81 1.370 -3.848 -4.083 1.00 20.23 H new ATOM 0 HG12 ILE B 81 -0.741 -2.752 -4.321 1.00 2.20 H new ATOM 0 HG13 ILE B 81 -0.896 -3.917 -3.021 1.00 2.20 H new ATOM 0 HG21 ILE B 81 1.026 -4.674 -1.750 1.00 54.41 H new ATOM 0 HG22 ILE B 81 2.634 -3.943 -1.963 1.00 54.41 H new ATOM 0 HG23 ILE B 81 1.346 -3.034 -1.138 1.00 54.41 H new ATOM 0 HD11 ILE B 81 -2.078 -1.846 -2.487 1.00 0.31 H new ATOM 0 HD12 ILE B 81 -0.729 -2.099 -1.354 1.00 0.31 H new ATOM 0 HD13 ILE B 81 -0.572 -0.916 -2.675 1.00 0.31 H new ATOM 1429 N GLU B 82 3.745 -2.605 -4.893 1.00 4.32 N ATOM 1430 CA GLU B 82 5.128 -2.905 -5.247 1.00 10.45 C ATOM 1431 C GLU B 82 6.005 -1.653 -5.231 1.00 13.15 C ATOM 1432 O GLU B 82 7.119 -1.702 -4.708 1.00 4.21 O ATOM 1433 CB GLU B 82 5.165 -3.605 -6.628 1.00 50.22 C ATOM 1434 CG GLU B 82 4.662 -5.057 -6.600 1.00 31.32 C ATOM 1435 CD GLU B 82 5.581 -5.972 -5.780 1.00 62.14 C ATOM 1436 OE1 GLU B 82 5.395 -6.088 -4.551 1.00 33.04 O ATOM 1437 OE2 GLU B 82 6.519 -6.557 -6.358 1.00 73.23 O ATOM 0 H GLU B 82 3.078 -2.820 -5.634 1.00 4.32 H new ATOM 0 HA GLU B 82 5.540 -3.579 -4.496 1.00 10.45 H new ATOM 0 HB2 GLU B 82 4.559 -3.034 -7.331 1.00 50.22 H new ATOM 0 HB3 GLU B 82 6.188 -3.592 -7.005 1.00 50.22 H new ATOM 0 HG2 GLU B 82 3.657 -5.084 -6.180 1.00 31.32 H new ATOM 0 HG3 GLU B 82 4.591 -5.435 -7.620 1.00 31.32 H new ATOM 1444 N GLU B 83 5.480 -0.531 -5.762 1.00 40.42 N ATOM 1445 CA GLU B 83 6.210 0.743 -5.809 1.00 61.13 C ATOM 1446 C GLU B 83 6.619 1.189 -4.413 1.00 2.12 C ATOM 1447 O GLU B 83 7.815 1.370 -4.150 1.00 3.25 O ATOM 1448 CB GLU B 83 5.400 1.848 -6.531 1.00 13.53 C ATOM 1449 CG GLU B 83 5.328 1.659 -8.054 1.00 23.12 C ATOM 1450 CD GLU B 83 6.714 1.489 -8.712 1.00 74.14 C ATOM 1451 OE1 GLU B 83 7.499 2.459 -8.726 1.00 24.32 O ATOM 1452 OE2 GLU B 83 7.035 0.379 -9.203 1.00 52.10 O ATOM 0 H GLU B 83 4.545 -0.486 -6.167 1.00 40.42 H new ATOM 0 HA GLU B 83 7.116 0.575 -6.392 1.00 61.13 H new ATOM 0 HB2 GLU B 83 4.388 1.868 -6.127 1.00 13.53 H new ATOM 0 HB3 GLU B 83 5.849 2.817 -6.314 1.00 13.53 H new ATOM 0 HG2 GLU B 83 4.718 0.784 -8.277 1.00 23.12 H new ATOM 0 HG3 GLU B 83 4.826 2.519 -8.497 1.00 23.12 H new ATOM 1459 N MET B 84 5.629 1.270 -3.517 1.00 41.33 N ATOM 1460 CA MET B 84 5.838 1.651 -2.111 1.00 71.13 C ATOM 1461 C MET B 84 6.885 0.743 -1.436 1.00 75.31 C ATOM 1462 O MET B 84 7.639 1.197 -0.577 1.00 14.14 O ATOM 1463 CB MET B 84 4.487 1.612 -1.352 1.00 13.43 C ATOM 1464 CG MET B 84 3.435 2.581 -1.916 1.00 40.44 C ATOM 1465 SD MET B 84 1.869 2.560 -1.015 1.00 54.34 S ATOM 1466 CE MET B 84 1.324 0.866 -1.196 1.00 54.45 C ATOM 0 H MET B 84 4.655 1.073 -3.746 1.00 41.33 H new ATOM 0 HA MET B 84 6.228 2.668 -2.079 1.00 71.13 H new ATOM 0 HB2 MET B 84 4.090 0.598 -1.387 1.00 13.43 H new ATOM 0 HB3 MET B 84 4.662 1.850 -0.303 1.00 13.43 H new ATOM 0 HG2 MET B 84 3.840 3.593 -1.899 1.00 40.44 H new ATOM 0 HG3 MET B 84 3.246 2.331 -2.960 1.00 40.44 H new ATOM 0 HE1 MET B 84 0.428 0.706 -0.596 1.00 54.45 H new ATOM 0 HE2 MET B 84 1.100 0.666 -2.244 1.00 54.45 H new ATOM 0 HE3 MET B 84 2.112 0.192 -0.859 1.00 54.45 H new ATOM 1476 N GLY B 85 6.953 -0.521 -1.906 1.00 0.11 N ATOM 1477 CA GLY B 85 7.913 -1.507 -1.420 1.00 3.54 C ATOM 1478 C GLY B 85 9.385 -1.141 -1.639 1.00 62.24 C ATOM 1479 O GLY B 85 10.238 -1.562 -0.859 1.00 10.53 O ATOM 0 H GLY B 85 6.336 -0.877 -2.636 1.00 0.11 H new ATOM 0 HA2 GLY B 85 7.747 -1.659 -0.353 1.00 3.54 H new ATOM 0 HA3 GLY B 85 7.714 -2.459 -1.912 1.00 3.54 H new ATOM 1483 N LYS B 86 9.693 -0.365 -2.698 1.00 25.03 N ATOM 1484 CA LYS B 86 11.082 0.088 -2.963 1.00 74.34 C ATOM 1485 C LYS B 86 11.360 1.419 -2.266 1.00 43.22 C ATOM 1486 O LYS B 86 12.504 1.683 -1.906 1.00 63.24 O ATOM 1487 CB LYS B 86 11.417 0.240 -4.473 1.00 73.15 C ATOM 1488 CG LYS B 86 11.341 -1.061 -5.312 1.00 32.22 C ATOM 1489 CD LYS B 86 9.931 -1.364 -5.859 1.00 5.04 C ATOM 1490 CE LYS B 86 9.507 -0.455 -7.035 1.00 21.24 C ATOM 1491 NZ LYS B 86 9.416 0.996 -6.684 1.00 45.24 N ATOM 0 H LYS B 86 9.009 -0.039 -3.380 1.00 25.03 H new ATOM 0 HA LYS B 86 11.720 -0.700 -2.563 1.00 74.34 H new ATOM 0 HB2 LYS B 86 10.734 0.970 -4.906 1.00 73.15 H new ATOM 0 HB3 LYS B 86 12.422 0.651 -4.564 1.00 73.15 H new ATOM 0 HG2 LYS B 86 12.037 -0.985 -6.148 1.00 32.22 H new ATOM 0 HG3 LYS B 86 11.671 -1.899 -4.698 1.00 32.22 H new ATOM 0 HD2 LYS B 86 9.894 -2.404 -6.184 1.00 5.04 H new ATOM 0 HD3 LYS B 86 9.208 -1.257 -5.051 1.00 5.04 H new ATOM 0 HE2 LYS B 86 10.221 -0.577 -7.850 1.00 21.24 H new ATOM 0 HE3 LYS B 86 8.539 -0.789 -7.407 1.00 21.24 H new ATOM 0 HZ1 LYS B 86 8.907 1.504 -7.436 1.00 45.24 H new ATOM 0 HZ2 LYS B 86 8.904 1.104 -5.785 1.00 45.24 H new ATOM 0 HZ3 LYS B 86 10.373 1.390 -6.587 1.00 45.24 H new ATOM 1505 N GLU B 87 10.318 2.245 -2.061 1.00 41.31 N ATOM 1506 CA GLU B 87 10.494 3.574 -1.441 1.00 23.43 C ATOM 1507 C GLU B 87 10.717 3.454 0.078 1.00 35.14 C ATOM 1508 O GLU B 87 11.074 4.438 0.709 1.00 54.44 O ATOM 1509 CB GLU B 87 9.297 4.524 -1.752 1.00 13.11 C ATOM 1510 CG GLU B 87 9.307 5.170 -3.163 1.00 71.14 C ATOM 1511 CD GLU B 87 8.913 4.217 -4.313 1.00 43.12 C ATOM 1512 OE1 GLU B 87 9.768 3.431 -4.792 1.00 0.01 O ATOM 1513 OE2 GLU B 87 7.749 4.263 -4.764 1.00 0.45 O ATOM 0 H GLU B 87 9.355 2.021 -2.312 1.00 41.31 H new ATOM 0 HA GLU B 87 11.386 4.017 -1.883 1.00 23.43 H new ATOM 0 HB2 GLU B 87 8.370 3.963 -1.635 1.00 13.11 H new ATOM 0 HB3 GLU B 87 9.284 5.320 -1.007 1.00 13.11 H new ATOM 0 HG2 GLU B 87 8.624 6.019 -3.163 1.00 71.14 H new ATOM 0 HG3 GLU B 87 10.304 5.563 -3.361 1.00 71.14 H new ATOM 1520 N ILE B 88 10.538 2.242 0.636 1.00 3.05 N ATOM 1521 CA ILE B 88 10.801 1.953 2.062 1.00 61.33 C ATOM 1522 C ILE B 88 12.282 2.242 2.424 1.00 63.40 C ATOM 1523 O ILE B 88 12.551 2.940 3.402 1.00 23.34 O ATOM 1524 CB ILE B 88 10.435 0.455 2.404 1.00 33.20 C ATOM 1525 CG1 ILE B 88 8.957 0.162 2.018 1.00 41.41 C ATOM 1526 CG2 ILE B 88 10.685 0.130 3.894 1.00 63.42 C ATOM 1527 CD1 ILE B 88 8.480 -1.250 2.294 1.00 51.00 C ATOM 0 H ILE B 88 10.206 1.433 0.111 1.00 3.05 H new ATOM 0 HA ILE B 88 10.169 2.610 2.659 1.00 61.33 H new ATOM 0 HB ILE B 88 11.089 -0.191 1.817 1.00 33.20 H new ATOM 0 HG12 ILE B 88 8.314 0.857 2.558 1.00 41.41 H new ATOM 0 HG13 ILE B 88 8.829 0.369 0.956 1.00 41.41 H new ATOM 0 HG21 ILE B 88 10.421 -0.909 4.089 1.00 63.42 H new ATOM 0 HG22 ILE B 88 11.738 0.287 4.129 1.00 63.42 H new ATOM 0 HG23 ILE B 88 10.073 0.783 4.516 1.00 63.42 H new ATOM 0 HD11 ILE B 88 7.438 -1.348 1.989 1.00 51.00 H new ATOM 0 HD12 ILE B 88 9.091 -1.957 1.732 1.00 51.00 H new ATOM 0 HD13 ILE B 88 8.568 -1.462 3.360 1.00 51.00 H new ATOM 1539 N ARG B 89 13.221 1.719 1.605 1.00 50.42 N ATOM 1540 CA ARG B 89 14.677 1.868 1.864 1.00 42.35 C ATOM 1541 C ARG B 89 15.160 3.349 1.834 1.00 43.14 C ATOM 1542 O ARG B 89 15.740 3.810 2.827 1.00 50.21 O ATOM 1543 CB ARG B 89 15.519 0.955 0.917 1.00 13.12 C ATOM 1544 CG ARG B 89 17.046 1.046 1.137 1.00 43.11 C ATOM 1545 CD ARG B 89 17.859 0.184 0.157 1.00 4.15 C ATOM 1546 NE ARG B 89 19.317 0.373 0.331 1.00 13.14 N ATOM 1547 CZ ARG B 89 20.265 -0.077 -0.511 1.00 32.43 C ATOM 1548 NH1 ARG B 89 19.933 -0.756 -1.615 1.00 54.33 N ATOM 1549 NH2 ARG B 89 21.545 0.151 -0.231 1.00 3.41 N ATOM 0 H ARG B 89 13.001 1.191 0.761 1.00 50.42 H new ATOM 0 HA ARG B 89 14.844 1.528 2.886 1.00 42.35 H new ATOM 0 HB2 ARG B 89 15.205 -0.080 1.055 1.00 13.12 H new ATOM 0 HB3 ARG B 89 15.296 1.220 -0.117 1.00 13.12 H new ATOM 0 HG2 ARG B 89 17.358 2.086 1.039 1.00 43.11 H new ATOM 0 HG3 ARG B 89 17.277 0.739 2.157 1.00 43.11 H new ATOM 0 HD2 ARG B 89 17.609 -0.867 0.305 1.00 4.15 H new ATOM 0 HD3 ARG B 89 17.580 0.437 -0.866 1.00 4.15 H new ATOM 0 HE ARG B 89 19.628 0.886 1.156 1.00 13.14 H new ATOM 0 HH11 ARG B 89 18.952 -0.938 -1.826 1.00 54.33 H new ATOM 0 HH12 ARG B 89 20.661 -1.092 -2.245 1.00 54.33 H new ATOM 0 HH21 ARG B 89 21.799 0.662 0.614 1.00 3.41 H new ATOM 0 HH22 ARG B 89 22.273 -0.185 -0.862 1.00 3.41 H new ATOM 1563 N PRO B 90 14.955 4.138 0.722 1.00 65.33 N ATOM 1564 CA PRO B 90 15.405 5.548 0.667 1.00 32.23 C ATOM 1565 C PRO B 90 14.660 6.480 1.663 1.00 73.11 C ATOM 1566 O PRO B 90 15.274 7.411 2.193 1.00 23.53 O ATOM 1567 CB PRO B 90 15.191 5.949 -0.809 1.00 62.12 C ATOM 1568 CG PRO B 90 14.149 5.003 -1.324 1.00 44.44 C ATOM 1569 CD PRO B 90 14.346 3.721 -0.568 1.00 33.05 C ATOM 0 HA PRO B 90 16.444 5.652 0.980 1.00 32.23 H new ATOM 0 HB2 PRO B 90 14.859 6.984 -0.892 1.00 62.12 H new ATOM 0 HB3 PRO B 90 16.116 5.864 -1.379 1.00 62.12 H new ATOM 0 HG2 PRO B 90 13.147 5.401 -1.163 1.00 44.44 H new ATOM 0 HG3 PRO B 90 14.261 4.845 -2.397 1.00 44.44 H new ATOM 0 HD2 PRO B 90 13.400 3.204 -0.411 1.00 33.05 H new ATOM 0 HD3 PRO B 90 14.997 3.036 -1.111 1.00 33.05 H new ATOM 1577 N THR B 91 13.360 6.220 1.940 1.00 55.23 N ATOM 1578 CA THR B 91 12.600 6.969 2.977 1.00 4.12 C ATOM 1579 C THR B 91 13.230 6.740 4.365 1.00 5.24 C ATOM 1580 O THR B 91 13.436 7.684 5.129 1.00 61.33 O ATOM 1581 CB THR B 91 11.089 6.561 3.004 1.00 30.00 C ATOM 1582 OG1 THR B 91 10.488 6.893 1.745 1.00 75.51 O ATOM 1583 CG2 THR B 91 10.291 7.238 4.140 1.00 2.21 C ATOM 0 H THR B 91 12.815 5.501 1.464 1.00 55.23 H new ATOM 0 HA THR B 91 12.653 8.027 2.721 1.00 4.12 H new ATOM 0 HB THR B 91 11.055 5.487 3.188 1.00 30.00 H new ATOM 0 HG1 THR B 91 10.579 6.136 1.129 1.00 75.51 H new ATOM 0 HG21 THR B 91 9.252 6.911 4.100 1.00 2.21 H new ATOM 0 HG22 THR B 91 10.722 6.961 5.102 1.00 2.21 H new ATOM 0 HG23 THR B 91 10.335 8.321 4.021 1.00 2.21 H new ATOM 1591 N TYR B 92 13.567 5.469 4.640 1.00 1.04 N ATOM 1592 CA TYR B 92 14.278 5.056 5.861 1.00 64.15 C ATOM 1593 C TYR B 92 15.667 5.723 5.948 1.00 24.05 C ATOM 1594 O TYR B 92 16.185 5.953 7.039 1.00 22.03 O ATOM 1595 CB TYR B 92 14.410 3.509 5.881 1.00 53.40 C ATOM 1596 CG TYR B 92 15.024 2.920 7.158 1.00 12.41 C ATOM 1597 CD1 TYR B 92 14.259 2.748 8.309 1.00 3.11 C ATOM 1598 CD2 TYR B 92 16.367 2.529 7.211 1.00 43.44 C ATOM 1599 CE1 TYR B 92 14.801 2.215 9.455 1.00 75.10 C ATOM 1600 CE2 TYR B 92 16.912 1.989 8.357 1.00 52.01 C ATOM 1601 CZ TYR B 92 16.126 1.838 9.476 1.00 75.20 C ATOM 1602 OH TYR B 92 16.670 1.300 10.622 1.00 61.32 O ATOM 0 H TYR B 92 13.351 4.692 4.015 1.00 1.04 H new ATOM 0 HA TYR B 92 13.704 5.380 6.729 1.00 64.15 H new ATOM 0 HB2 TYR B 92 13.420 3.074 5.739 1.00 53.40 H new ATOM 0 HB3 TYR B 92 15.018 3.202 5.030 1.00 53.40 H new ATOM 0 HD1 TYR B 92 13.219 3.039 8.301 1.00 3.11 H new ATOM 0 HD2 TYR B 92 16.989 2.653 6.337 1.00 43.44 H new ATOM 0 HE1 TYR B 92 14.189 2.092 10.337 1.00 75.10 H new ATOM 0 HE2 TYR B 92 17.949 1.687 8.376 1.00 52.01 H new ATOM 0 HH TYR B 92 16.390 1.830 11.397 1.00 61.32 H new ATOM 1612 N ALA B 93 16.239 6.050 4.775 1.00 50.12 N ATOM 1613 CA ALA B 93 17.574 6.668 4.659 1.00 4.35 C ATOM 1614 C ALA B 93 17.500 8.209 4.726 1.00 4.01 C ATOM 1615 O ALA B 93 18.527 8.883 4.595 1.00 65.44 O ATOM 1616 CB ALA B 93 18.240 6.211 3.352 1.00 15.44 C ATOM 0 H ALA B 93 15.786 5.892 3.875 1.00 50.12 H new ATOM 0 HA ALA B 93 18.177 6.341 5.506 1.00 4.35 H new ATOM 0 HB1 ALA B 93 19.226 6.668 3.267 1.00 15.44 H new ATOM 0 HB2 ALA B 93 18.342 5.126 3.356 1.00 15.44 H new ATOM 0 HB3 ALA B 93 17.625 6.515 2.505 1.00 15.44 H new ATOM 1622 N GLY B 94 16.289 8.752 4.942 1.00 54.40 N ATOM 1623 CA GLY B 94 16.094 10.199 5.094 1.00 64.30 C ATOM 1624 C GLY B 94 15.863 10.948 3.785 1.00 21.30 C ATOM 1625 O GLY B 94 15.747 12.179 3.804 1.00 44.22 O ATOM 0 H GLY B 94 15.430 8.206 5.015 1.00 54.40 H new ATOM 0 HA2 GLY B 94 15.242 10.371 5.751 1.00 64.30 H new ATOM 0 HA3 GLY B 94 16.969 10.620 5.589 1.00 64.30 H new ATOM 1629 N SER B 95 15.813 10.226 2.651 1.00 63.53 N ATOM 1630 CA SER B 95 15.500 10.826 1.339 1.00 4.02 C ATOM 1631 C SER B 95 14.030 11.321 1.296 1.00 53.32 C ATOM 1632 O SER B 95 13.101 10.520 1.123 1.00 54.21 O ATOM 1633 CB SER B 95 15.770 9.796 0.204 1.00 20.53 C ATOM 1634 OG SER B 95 17.084 9.268 0.294 1.00 35.44 O ATOM 0 H SER B 95 15.986 9.221 2.616 1.00 63.53 H new ATOM 0 HA SER B 95 16.148 11.690 1.187 1.00 4.02 H new ATOM 0 HB2 SER B 95 15.044 8.985 0.265 1.00 20.53 H new ATOM 0 HB3 SER B 95 15.633 10.275 -0.766 1.00 20.53 H new ATOM 0 HG SER B 95 17.227 8.622 -0.429 1.00 35.44 H new ATOM 1640 N LYS B 96 13.846 12.646 1.506 1.00 3.14 N ATOM 1641 CA LYS B 96 12.523 13.325 1.482 1.00 51.51 C ATOM 1642 C LYS B 96 11.762 13.113 0.154 1.00 33.51 C ATOM 1643 O LYS B 96 10.525 13.092 0.143 1.00 33.30 O ATOM 1644 CB LYS B 96 12.706 14.846 1.754 1.00 13.43 C ATOM 1645 CG LYS B 96 13.625 15.566 0.742 1.00 42.24 C ATOM 1646 CD LYS B 96 13.756 17.085 0.987 1.00 61.21 C ATOM 1647 CE LYS B 96 12.445 17.851 0.762 1.00 62.34 C ATOM 1648 NZ LYS B 96 12.636 19.318 0.954 1.00 32.54 N ATOM 0 H LYS B 96 14.619 13.283 1.699 1.00 3.14 H new ATOM 0 HA LYS B 96 11.918 12.874 2.268 1.00 51.51 H new ATOM 0 HB2 LYS B 96 11.727 15.326 1.743 1.00 13.43 H new ATOM 0 HB3 LYS B 96 13.115 14.978 2.756 1.00 13.43 H new ATOM 0 HG2 LYS B 96 14.616 15.115 0.781 1.00 42.24 H new ATOM 0 HG3 LYS B 96 13.240 15.402 -0.264 1.00 42.24 H new ATOM 0 HD2 LYS B 96 14.096 17.253 2.009 1.00 61.21 H new ATOM 0 HD3 LYS B 96 14.523 17.488 0.325 1.00 61.21 H new ATOM 0 HE2 LYS B 96 12.077 17.659 -0.246 1.00 62.34 H new ATOM 0 HE3 LYS B 96 11.685 17.487 1.454 1.00 62.34 H new ATOM 0 HZ1 LYS B 96 11.733 19.809 0.795 1.00 32.54 H new ATOM 0 HZ2 LYS B 96 12.964 19.501 1.924 1.00 32.54 H new ATOM 0 HZ3 LYS B 96 13.344 19.667 0.277 1.00 32.54 H new ATOM 1662 N SER B 97 12.517 12.968 -0.951 1.00 64.24 N ATOM 1663 CA SER B 97 11.953 12.739 -2.294 1.00 24.33 C ATOM 1664 C SER B 97 11.213 11.383 -2.351 1.00 74.41 C ATOM 1665 O SER B 97 10.133 11.276 -2.954 1.00 25.53 O ATOM 1666 CB SER B 97 13.074 12.798 -3.353 1.00 3.31 C ATOM 1667 OG SER B 97 13.792 14.024 -3.271 1.00 72.13 O ATOM 0 H SER B 97 13.536 13.006 -0.937 1.00 64.24 H new ATOM 0 HA SER B 97 11.229 13.525 -2.510 1.00 24.33 H new ATOM 0 HB2 SER B 97 13.758 11.962 -3.210 1.00 3.31 H new ATOM 0 HB3 SER B 97 12.644 12.691 -4.349 1.00 3.31 H new ATOM 0 HG SER B 97 14.498 14.036 -3.951 1.00 72.13 H new ATOM 1673 N ALA B 98 11.821 10.357 -1.719 1.00 0.43 N ATOM 1674 CA ALA B 98 11.224 9.017 -1.583 1.00 1.02 C ATOM 1675 C ALA B 98 10.035 9.026 -0.633 1.00 74.10 C ATOM 1676 O ALA B 98 9.035 8.371 -0.907 1.00 61.52 O ATOM 1677 CB ALA B 98 12.264 8.013 -1.099 1.00 14.15 C ATOM 0 H ALA B 98 12.742 10.438 -1.288 1.00 0.43 H new ATOM 0 HA ALA B 98 10.868 8.719 -2.569 1.00 1.02 H new ATOM 0 HB1 ALA B 98 11.804 7.029 -1.005 1.00 14.15 H new ATOM 0 HB2 ALA B 98 13.083 7.963 -1.816 1.00 14.15 H new ATOM 0 HB3 ALA B 98 12.650 8.328 -0.129 1.00 14.15 H new ATOM 1683 N MET B 99 10.164 9.769 0.489 1.00 12.02 N ATOM 1684 CA MET B 99 9.094 9.905 1.500 1.00 1.31 C ATOM 1685 C MET B 99 7.832 10.499 0.868 1.00 14.34 C ATOM 1686 O MET B 99 6.727 10.022 1.109 1.00 32.00 O ATOM 1687 CB MET B 99 9.573 10.782 2.693 1.00 2.51 C ATOM 1688 CG MET B 99 8.510 11.018 3.788 1.00 43.34 C ATOM 1689 SD MET B 99 9.099 12.040 5.158 1.00 34.03 S ATOM 1690 CE MET B 99 9.722 13.488 4.300 1.00 74.05 C ATOM 0 H MET B 99 11.011 10.290 0.718 1.00 12.02 H new ATOM 0 HA MET B 99 8.854 8.912 1.881 1.00 1.31 H new ATOM 0 HB2 MET B 99 10.444 10.309 3.147 1.00 2.51 H new ATOM 0 HB3 MET B 99 9.899 11.748 2.308 1.00 2.51 H new ATOM 0 HG2 MET B 99 7.638 11.493 3.340 1.00 43.34 H new ATOM 0 HG3 MET B 99 8.182 10.055 4.179 1.00 43.34 H new ATOM 0 HE1 MET B 99 9.504 14.380 4.887 1.00 74.05 H new ATOM 0 HE2 MET B 99 10.800 13.396 4.166 1.00 74.05 H new ATOM 0 HE3 MET B 99 9.241 13.568 3.325 1.00 74.05 H new ATOM 1700 N GLU B 100 8.033 11.519 0.027 1.00 52.13 N ATOM 1701 CA GLU B 100 6.944 12.221 -0.668 1.00 42.32 C ATOM 1702 C GLU B 100 6.187 11.265 -1.612 1.00 54.51 C ATOM 1703 O GLU B 100 4.953 11.281 -1.681 1.00 75.12 O ATOM 1704 CB GLU B 100 7.525 13.411 -1.466 1.00 22.53 C ATOM 1705 CG GLU B 100 6.485 14.396 -2.030 1.00 75.02 C ATOM 1706 CD GLU B 100 5.747 15.204 -0.942 1.00 72.04 C ATOM 1707 OE1 GLU B 100 6.239 16.288 -0.556 1.00 73.21 O ATOM 1708 OE2 GLU B 100 4.669 14.768 -0.477 1.00 74.35 O ATOM 0 H GLU B 100 8.960 11.884 -0.193 1.00 52.13 H new ATOM 0 HA GLU B 100 6.236 12.592 0.074 1.00 42.32 H new ATOM 0 HB2 GLU B 100 8.209 13.961 -0.820 1.00 22.53 H new ATOM 0 HB3 GLU B 100 8.115 13.018 -2.294 1.00 22.53 H new ATOM 0 HG2 GLU B 100 6.983 15.088 -2.710 1.00 75.02 H new ATOM 0 HG3 GLU B 100 5.754 13.842 -2.618 1.00 75.02 H new ATOM 1715 N ARG B 101 6.959 10.418 -2.313 1.00 75.34 N ATOM 1716 CA ARG B 101 6.420 9.474 -3.306 1.00 41.32 C ATOM 1717 C ARG B 101 5.752 8.280 -2.585 1.00 30.50 C ATOM 1718 O ARG B 101 4.754 7.734 -3.065 1.00 34.40 O ATOM 1719 CB ARG B 101 7.567 9.017 -4.268 1.00 55.23 C ATOM 1720 CG ARG B 101 7.110 8.607 -5.695 1.00 5.33 C ATOM 1721 CD ARG B 101 6.430 7.224 -5.776 1.00 13.54 C ATOM 1722 NE ARG B 101 5.797 6.999 -7.089 1.00 4.45 N ATOM 1723 CZ ARG B 101 5.887 5.870 -7.819 1.00 35.51 C ATOM 1724 NH1 ARG B 101 6.601 4.840 -7.383 1.00 64.33 N ATOM 1725 NH2 ARG B 101 5.236 5.771 -8.967 1.00 21.23 N ATOM 0 H ARG B 101 7.972 10.368 -2.208 1.00 75.34 H new ATOM 0 HA ARG B 101 5.654 9.960 -3.910 1.00 41.32 H new ATOM 0 HB2 ARG B 101 8.291 9.827 -4.355 1.00 55.23 H new ATOM 0 HB3 ARG B 101 8.086 8.173 -3.814 1.00 55.23 H new ATOM 0 HG2 ARG B 101 6.419 9.361 -6.072 1.00 5.33 H new ATOM 0 HG3 ARG B 101 7.977 8.611 -6.356 1.00 5.33 H new ATOM 0 HD2 ARG B 101 7.169 6.445 -5.591 1.00 13.54 H new ATOM 0 HD3 ARG B 101 5.678 7.143 -4.991 1.00 13.54 H new ATOM 0 HE ARG B 101 5.244 7.763 -7.477 1.00 4.45 H new ATOM 0 HH11 ARG B 101 7.087 4.899 -6.488 1.00 64.33 H new ATOM 0 HH12 ARG B 101 6.663 3.989 -7.942 1.00 64.33 H new ATOM 0 HH21 ARG B 101 4.666 6.549 -9.299 1.00 21.23 H new ATOM 0 HH22 ARG B 101 5.304 4.916 -9.520 1.00 21.23 H new ATOM 1739 N LEU B 102 6.314 7.916 -1.420 1.00 42.52 N ATOM 1740 CA LEU B 102 5.824 6.811 -0.581 1.00 13.23 C ATOM 1741 C LEU B 102 4.428 7.154 -0.035 1.00 44.21 C ATOM 1742 O LEU B 102 3.497 6.350 -0.146 1.00 21.03 O ATOM 1743 CB LEU B 102 6.837 6.526 0.573 1.00 71.23 C ATOM 1744 CG LEU B 102 6.506 5.337 1.529 1.00 35.44 C ATOM 1745 CD1 LEU B 102 6.340 4.007 0.768 1.00 1.54 C ATOM 1746 CD2 LEU B 102 7.579 5.208 2.627 1.00 44.41 C ATOM 0 H LEU B 102 7.131 8.387 -1.031 1.00 42.52 H new ATOM 0 HA LEU B 102 5.740 5.905 -1.181 1.00 13.23 H new ATOM 0 HB2 LEU B 102 7.814 6.341 0.128 1.00 71.23 H new ATOM 0 HB3 LEU B 102 6.927 7.430 1.175 1.00 71.23 H new ATOM 0 HG LEU B 102 5.548 5.558 2.000 1.00 35.44 H new ATOM 0 HD11 LEU B 102 6.111 3.210 1.475 1.00 1.54 H new ATOM 0 HD12 LEU B 102 5.527 4.099 0.048 1.00 1.54 H new ATOM 0 HD13 LEU B 102 7.265 3.771 0.242 1.00 1.54 H new ATOM 0 HD21 LEU B 102 7.330 4.374 3.283 1.00 44.41 H new ATOM 0 HD22 LEU B 102 8.551 5.030 2.167 1.00 44.41 H new ATOM 0 HD23 LEU B 102 7.616 6.129 3.209 1.00 44.41 H new ATOM 1758 N LYS B 103 4.295 8.381 0.521 1.00 44.44 N ATOM 1759 CA LYS B 103 3.008 8.922 0.997 1.00 11.10 C ATOM 1760 C LYS B 103 1.984 8.945 -0.139 1.00 31.20 C ATOM 1761 O LYS B 103 0.875 8.447 0.019 1.00 54.34 O ATOM 1762 CB LYS B 103 3.182 10.344 1.591 1.00 3.32 C ATOM 1763 CG LYS B 103 4.120 10.419 2.820 1.00 42.52 C ATOM 1764 CD LYS B 103 4.179 11.831 3.451 1.00 23.33 C ATOM 1765 CE LYS B 103 4.743 12.895 2.497 1.00 41.34 C ATOM 1766 NZ LYS B 103 4.705 14.255 3.110 1.00 75.33 N ATOM 0 H LYS B 103 5.079 9.021 0.650 1.00 44.44 H new ATOM 0 HA LYS B 103 2.643 8.267 1.788 1.00 11.10 H new ATOM 0 HB2 LYS B 103 3.569 11.003 0.814 1.00 3.32 H new ATOM 0 HB3 LYS B 103 2.202 10.727 1.875 1.00 3.32 H new ATOM 0 HG2 LYS B 103 3.783 9.705 3.572 1.00 42.52 H new ATOM 0 HG3 LYS B 103 5.124 10.118 2.522 1.00 42.52 H new ATOM 0 HD2 LYS B 103 3.177 12.125 3.762 1.00 23.33 H new ATOM 0 HD3 LYS B 103 4.794 11.795 4.350 1.00 23.33 H new ATOM 0 HE2 LYS B 103 5.770 12.642 2.234 1.00 41.34 H new ATOM 0 HE3 LYS B 103 4.168 12.896 1.571 1.00 41.34 H new ATOM 0 HZ1 LYS B 103 5.093 14.949 2.439 1.00 75.33 H new ATOM 0 HZ2 LYS B 103 3.722 14.506 3.338 1.00 75.33 H new ATOM 0 HZ3 LYS B 103 5.274 14.259 3.981 1.00 75.33 H new ATOM 1780 N ARG B 104 2.404 9.476 -1.303 1.00 31.44 N ATOM 1781 CA ARG B 104 1.558 9.568 -2.513 1.00 63.03 C ATOM 1782 C ARG B 104 1.066 8.179 -2.950 1.00 5.32 C ATOM 1783 O ARG B 104 -0.049 8.033 -3.475 1.00 40.02 O ATOM 1784 CB ARG B 104 2.360 10.228 -3.649 1.00 61.41 C ATOM 1785 CG ARG B 104 1.565 10.485 -4.947 1.00 34.20 C ATOM 1786 CD ARG B 104 2.450 11.045 -6.067 1.00 74.33 C ATOM 1787 NE ARG B 104 3.177 12.250 -5.629 1.00 72.55 N ATOM 1788 CZ ARG B 104 4.488 12.466 -5.790 1.00 31.04 C ATOM 1789 NH1 ARG B 104 5.257 11.555 -6.397 1.00 63.32 N ATOM 1790 NH2 ARG B 104 5.022 13.591 -5.332 1.00 31.45 N ATOM 0 H ARG B 104 3.342 9.855 -1.433 1.00 31.44 H new ATOM 0 HA ARG B 104 0.683 10.176 -2.282 1.00 63.03 H new ATOM 0 HB2 ARG B 104 2.756 11.178 -3.289 1.00 61.41 H new ATOM 0 HB3 ARG B 104 3.216 9.595 -3.884 1.00 61.41 H new ATOM 0 HG2 ARG B 104 1.106 9.554 -5.280 1.00 34.20 H new ATOM 0 HG3 ARG B 104 0.755 11.185 -4.742 1.00 34.20 H new ATOM 0 HD2 ARG B 104 3.163 10.284 -6.384 1.00 74.33 H new ATOM 0 HD3 ARG B 104 1.834 11.285 -6.933 1.00 74.33 H new ATOM 0 HE ARG B 104 2.636 12.980 -5.165 1.00 72.55 H new ATOM 0 HH11 ARG B 104 4.845 10.688 -6.741 1.00 63.32 H new ATOM 0 HH12 ARG B 104 6.255 11.728 -6.516 1.00 63.32 H new ATOM 0 HH21 ARG B 104 4.435 14.280 -4.863 1.00 31.45 H new ATOM 0 HH22 ARG B 104 6.020 13.766 -5.449 1.00 31.45 H new ATOM 1804 N GLY B 105 1.921 7.169 -2.705 1.00 74.13 N ATOM 1805 CA GLY B 105 1.572 5.777 -2.920 1.00 54.33 C ATOM 1806 C GLY B 105 0.361 5.362 -2.111 1.00 72.41 C ATOM 1807 O GLY B 105 -0.534 4.723 -2.643 1.00 31.22 O ATOM 0 H GLY B 105 2.868 7.308 -2.353 1.00 74.13 H new ATOM 0 HA2 GLY B 105 1.374 5.613 -3.979 1.00 54.33 H new ATOM 0 HA3 GLY B 105 2.420 5.146 -2.653 1.00 54.33 H new ATOM 1811 N ILE B 106 0.318 5.775 -0.830 1.00 3.02 N ATOM 1812 CA ILE B 106 -0.814 5.493 0.072 1.00 40.14 C ATOM 1813 C ILE B 106 -2.093 6.266 -0.350 1.00 40.34 C ATOM 1814 O ILE B 106 -3.185 5.703 -0.283 1.00 71.55 O ATOM 1815 CB ILE B 106 -0.432 5.756 1.597 1.00 34.44 C ATOM 1816 CG1 ILE B 106 0.412 4.567 2.191 1.00 33.30 C ATOM 1817 CG2 ILE B 106 -1.674 6.029 2.493 1.00 14.45 C ATOM 1818 CD1 ILE B 106 1.806 4.380 1.627 1.00 2.22 C ATOM 0 H ILE B 106 1.066 6.313 -0.392 1.00 3.02 H new ATOM 0 HA ILE B 106 -1.042 4.431 -0.019 1.00 40.14 H new ATOM 0 HB ILE B 106 0.177 6.660 1.601 1.00 34.44 H new ATOM 0 HG12 ILE B 106 0.496 4.713 3.268 1.00 33.30 H new ATOM 0 HG13 ILE B 106 -0.145 3.643 2.037 1.00 33.30 H new ATOM 0 HG21 ILE B 106 -1.351 6.201 3.520 1.00 14.45 H new ATOM 0 HG22 ILE B 106 -2.201 6.910 2.126 1.00 14.45 H new ATOM 0 HG23 ILE B 106 -2.342 5.168 2.462 1.00 14.45 H new ATOM 0 HD11 ILE B 106 2.285 3.531 2.115 1.00 2.22 H new ATOM 0 HD12 ILE B 106 1.743 4.194 0.555 1.00 2.22 H new ATOM 0 HD13 ILE B 106 2.394 5.280 1.805 1.00 2.22 H new ATOM 1830 N ILE B 107 -1.967 7.539 -0.804 1.00 64.22 N ATOM 1831 CA ILE B 107 -3.144 8.312 -1.289 1.00 2.11 C ATOM 1832 C ILE B 107 -3.781 7.579 -2.497 1.00 11.24 C ATOM 1833 O ILE B 107 -4.982 7.284 -2.501 1.00 1.34 O ATOM 1834 CB ILE B 107 -2.790 9.813 -1.688 1.00 61.31 C ATOM 1835 CG1 ILE B 107 -2.561 10.737 -0.441 1.00 12.11 C ATOM 1836 CG2 ILE B 107 -3.894 10.437 -2.589 1.00 14.43 C ATOM 1837 CD1 ILE B 107 -1.369 10.415 0.429 1.00 21.44 C ATOM 0 H ILE B 107 -1.083 8.045 -0.845 1.00 64.22 H new ATOM 0 HA ILE B 107 -3.851 8.370 -0.461 1.00 2.11 H new ATOM 0 HB ILE B 107 -1.854 9.756 -2.243 1.00 61.31 H new ATOM 0 HG12 ILE B 107 -2.459 11.764 -0.792 1.00 12.11 H new ATOM 0 HG13 ILE B 107 -3.456 10.700 0.180 1.00 12.11 H new ATOM 0 HG21 ILE B 107 -3.621 11.461 -2.843 1.00 14.43 H new ATOM 0 HG22 ILE B 107 -3.992 9.851 -3.503 1.00 14.43 H new ATOM 0 HG23 ILE B 107 -4.844 10.437 -2.054 1.00 14.43 H new ATOM 0 HD11 ILE B 107 -1.320 11.124 1.256 1.00 21.44 H new ATOM 0 HD12 ILE B 107 -1.469 9.404 0.823 1.00 21.44 H new ATOM 0 HD13 ILE B 107 -0.457 10.485 -0.163 1.00 21.44 H new ATOM 1849 N HIS B 108 -2.928 7.247 -3.482 1.00 62.53 N ATOM 1850 CA HIS B 108 -3.358 6.631 -4.748 1.00 33.43 C ATOM 1851 C HIS B 108 -3.866 5.201 -4.525 1.00 4.52 C ATOM 1852 O HIS B 108 -4.837 4.780 -5.157 1.00 1.41 O ATOM 1853 CB HIS B 108 -2.193 6.642 -5.765 1.00 73.31 C ATOM 1854 CG HIS B 108 -2.563 6.163 -7.151 1.00 70.31 C ATOM 1855 ND1 HIS B 108 -1.764 5.321 -7.893 1.00 1.21 N ATOM 1856 CD2 HIS B 108 -3.644 6.423 -7.927 1.00 5.40 C ATOM 1857 CE1 HIS B 108 -2.330 5.095 -9.058 1.00 75.31 C ATOM 1858 NE2 HIS B 108 -3.472 5.744 -9.105 1.00 33.45 N ATOM 0 H HIS B 108 -1.921 7.399 -3.422 1.00 62.53 H new ATOM 0 HA HIS B 108 -4.184 7.217 -5.150 1.00 33.43 H new ATOM 0 HB2 HIS B 108 -1.801 7.657 -5.838 1.00 73.31 H new ATOM 0 HB3 HIS B 108 -1.387 6.016 -5.381 1.00 73.31 H new ATOM 0 HD2 HIS B 108 -4.484 7.049 -7.665 1.00 5.40 H new ATOM 0 HE1 HIS B 108 -1.924 4.478 -9.846 1.00 75.31 H new ATOM 0 HE2 HIS B 108 -4.124 5.743 -9.890 1.00 33.45 H new ATOM 1867 N ALA B 109 -3.214 4.469 -3.613 1.00 43.40 N ATOM 1868 CA ALA B 109 -3.578 3.079 -3.305 1.00 31.40 C ATOM 1869 C ALA B 109 -4.929 3.015 -2.584 1.00 40.44 C ATOM 1870 O ALA B 109 -5.788 2.218 -2.951 1.00 65.13 O ATOM 1871 CB ALA B 109 -2.486 2.400 -2.476 1.00 31.31 C ATOM 0 H ALA B 109 -2.425 4.820 -3.071 1.00 43.40 H new ATOM 0 HA ALA B 109 -3.672 2.539 -4.247 1.00 31.40 H new ATOM 0 HB1 ALA B 109 -2.779 1.372 -2.261 1.00 31.31 H new ATOM 0 HB2 ALA B 109 -1.551 2.401 -3.036 1.00 31.31 H new ATOM 0 HB3 ALA B 109 -2.350 2.942 -1.540 1.00 31.31 H new ATOM 1877 N ARG B 110 -5.117 3.907 -1.591 1.00 21.41 N ATOM 1878 CA ARG B 110 -6.360 3.975 -0.787 1.00 53.01 C ATOM 1879 C ARG B 110 -7.525 4.418 -1.679 1.00 4.35 C ATOM 1880 O ARG B 110 -8.666 3.978 -1.497 1.00 11.23 O ATOM 1881 CB ARG B 110 -6.177 4.953 0.415 1.00 31.14 C ATOM 1882 CG ARG B 110 -7.305 4.914 1.471 1.00 3.52 C ATOM 1883 CD ARG B 110 -7.061 5.871 2.656 1.00 13.13 C ATOM 1884 NE ARG B 110 -8.109 5.739 3.690 1.00 0.22 N ATOM 1885 CZ ARG B 110 -8.252 6.537 4.762 1.00 60.45 C ATOM 1886 NH1 ARG B 110 -7.422 7.553 4.971 1.00 64.21 N ATOM 1887 NH2 ARG B 110 -9.224 6.291 5.640 1.00 54.33 N ATOM 0 H ARG B 110 -4.417 4.599 -1.322 1.00 21.41 H new ATOM 0 HA ARG B 110 -6.583 2.987 -0.385 1.00 53.01 H new ATOM 0 HB2 ARG B 110 -5.232 4.725 0.908 1.00 31.14 H new ATOM 0 HB3 ARG B 110 -6.098 5.969 0.028 1.00 31.14 H new ATOM 0 HG2 ARG B 110 -8.250 5.171 0.993 1.00 3.52 H new ATOM 0 HG3 ARG B 110 -7.405 3.896 1.849 1.00 3.52 H new ATOM 0 HD2 ARG B 110 -6.086 5.663 3.097 1.00 13.13 H new ATOM 0 HD3 ARG B 110 -7.034 6.899 2.294 1.00 13.13 H new ATOM 0 HE ARG B 110 -8.780 4.979 3.581 1.00 0.22 H new ATOM 0 HH11 ARG B 110 -6.664 7.736 4.313 1.00 64.21 H new ATOM 0 HH12 ARG B 110 -7.543 8.150 5.789 1.00 64.21 H new ATOM 0 HH21 ARG B 110 -9.853 5.501 5.496 1.00 54.33 H new ATOM 0 HH22 ARG B 110 -9.338 6.892 6.456 1.00 54.33 H new ATOM 1901 N ALA B 111 -7.195 5.262 -2.678 1.00 52.50 N ATOM 1902 CA ALA B 111 -8.151 5.729 -3.680 1.00 43.10 C ATOM 1903 C ALA B 111 -8.610 4.550 -4.552 1.00 21.44 C ATOM 1904 O ALA B 111 -9.804 4.330 -4.712 1.00 54.02 O ATOM 1905 CB ALA B 111 -7.533 6.846 -4.533 1.00 5.12 C ATOM 0 H ALA B 111 -6.254 5.635 -2.805 1.00 52.50 H new ATOM 0 HA ALA B 111 -9.024 6.143 -3.176 1.00 43.10 H new ATOM 0 HB1 ALA B 111 -8.259 7.182 -5.274 1.00 5.12 H new ATOM 0 HB2 ALA B 111 -7.256 7.682 -3.892 1.00 5.12 H new ATOM 0 HB3 ALA B 111 -6.645 6.468 -5.040 1.00 5.12 H new ATOM 1911 N LEU B 112 -7.639 3.752 -5.035 1.00 44.01 N ATOM 1912 CA LEU B 112 -7.903 2.603 -5.928 1.00 22.31 C ATOM 1913 C LEU B 112 -8.771 1.529 -5.252 1.00 25.35 C ATOM 1914 O LEU B 112 -9.600 0.895 -5.922 1.00 4.52 O ATOM 1915 CB LEU B 112 -6.573 1.989 -6.453 1.00 65.31 C ATOM 1916 CG LEU B 112 -5.816 2.838 -7.524 1.00 35.22 C ATOM 1917 CD1 LEU B 112 -4.445 2.218 -7.862 1.00 44.52 C ATOM 1918 CD2 LEU B 112 -6.682 3.021 -8.795 1.00 34.04 C ATOM 0 H LEU B 112 -6.651 3.883 -4.819 1.00 44.01 H new ATOM 0 HA LEU B 112 -8.468 2.984 -6.779 1.00 22.31 H new ATOM 0 HB2 LEU B 112 -5.907 1.829 -5.605 1.00 65.31 H new ATOM 0 HB3 LEU B 112 -6.789 1.009 -6.878 1.00 65.31 H new ATOM 0 HG LEU B 112 -5.631 3.826 -7.101 1.00 35.22 H new ATOM 0 HD11 LEU B 112 -3.943 2.831 -8.610 1.00 44.52 H new ATOM 0 HD12 LEU B 112 -3.834 2.172 -6.960 1.00 44.52 H new ATOM 0 HD13 LEU B 112 -4.588 1.211 -8.255 1.00 44.52 H new ATOM 0 HD21 LEU B 112 -6.134 3.615 -9.526 1.00 34.04 H new ATOM 0 HD22 LEU B 112 -6.914 2.045 -9.221 1.00 34.04 H new ATOM 0 HD23 LEU B 112 -7.609 3.532 -8.533 1.00 34.04 H new ATOM 1930 N VAL B 113 -8.595 1.333 -3.927 1.00 33.54 N ATOM 1931 CA VAL B 113 -9.398 0.355 -3.177 1.00 25.24 C ATOM 1932 C VAL B 113 -10.845 0.866 -3.044 1.00 74.55 C ATOM 1933 O VAL B 113 -11.777 0.130 -3.341 1.00 51.21 O ATOM 1934 CB VAL B 113 -8.832 0.020 -1.747 1.00 73.23 C ATOM 1935 CG1 VAL B 113 -9.597 -1.173 -1.116 1.00 10.23 C ATOM 1936 CG2 VAL B 113 -7.317 -0.256 -1.780 1.00 52.24 C ATOM 0 H VAL B 113 -7.910 1.836 -3.363 1.00 33.54 H new ATOM 0 HA VAL B 113 -9.358 -0.571 -3.750 1.00 25.24 H new ATOM 0 HB VAL B 113 -8.988 0.899 -1.122 1.00 73.23 H new ATOM 0 HG11 VAL B 113 -9.188 -1.386 -0.128 1.00 10.23 H new ATOM 0 HG12 VAL B 113 -10.653 -0.920 -1.025 1.00 10.23 H new ATOM 0 HG13 VAL B 113 -9.488 -2.052 -1.751 1.00 10.23 H new ATOM 0 HG21 VAL B 113 -6.966 -0.483 -0.773 1.00 52.24 H new ATOM 0 HG22 VAL B 113 -7.116 -1.104 -2.434 1.00 52.24 H new ATOM 0 HG23 VAL B 113 -6.795 0.624 -2.156 1.00 52.24 H new ATOM 1946 N ARG B 114 -11.022 2.153 -2.639 1.00 54.24 N ATOM 1947 CA ARG B 114 -12.372 2.725 -2.387 1.00 71.03 C ATOM 1948 C ARG B 114 -13.176 2.901 -3.683 1.00 42.43 C ATOM 1949 O ARG B 114 -14.413 2.875 -3.662 1.00 74.40 O ATOM 1950 CB ARG B 114 -12.310 4.039 -1.531 1.00 63.13 C ATOM 1951 CG ARG B 114 -11.581 5.266 -2.137 1.00 51.32 C ATOM 1952 CD ARG B 114 -12.409 6.071 -3.162 1.00 32.12 C ATOM 1953 NE ARG B 114 -13.633 6.634 -2.563 1.00 25.20 N ATOM 1954 CZ ARG B 114 -14.767 6.963 -3.221 1.00 21.23 C ATOM 1955 NH1 ARG B 114 -14.881 6.802 -4.536 1.00 3.34 N ATOM 1956 NH2 ARG B 114 -15.803 7.435 -2.543 1.00 41.24 N ATOM 0 H ARG B 114 -10.255 2.807 -2.482 1.00 54.24 H new ATOM 0 HA ARG B 114 -12.916 1.996 -1.786 1.00 71.03 H new ATOM 0 HB2 ARG B 114 -13.333 4.337 -1.302 1.00 63.13 H new ATOM 0 HB3 ARG B 114 -11.828 3.798 -0.583 1.00 63.13 H new ATOM 0 HG2 ARG B 114 -11.286 5.932 -1.326 1.00 51.32 H new ATOM 0 HG3 ARG B 114 -10.665 4.925 -2.619 1.00 51.32 H new ATOM 0 HD2 ARG B 114 -11.799 6.879 -3.567 1.00 32.12 H new ATOM 0 HD3 ARG B 114 -12.678 5.425 -3.998 1.00 32.12 H new ATOM 0 HE ARG B 114 -13.623 6.790 -1.555 1.00 25.20 H new ATOM 0 HH11 ARG B 114 -14.101 6.422 -5.073 1.00 3.34 H new ATOM 0 HH12 ARG B 114 -15.748 7.058 -5.008 1.00 3.34 H new ATOM 0 HH21 ARG B 114 -15.742 7.548 -1.531 1.00 41.24 H new ATOM 0 HH22 ARG B 114 -16.662 7.685 -3.033 1.00 41.24 H new ATOM 1970 N GLU B 115 -12.465 3.074 -4.812 1.00 62.21 N ATOM 1971 CA GLU B 115 -13.089 3.096 -6.139 1.00 52.12 C ATOM 1972 C GLU B 115 -13.653 1.696 -6.446 1.00 61.42 C ATOM 1973 O GLU B 115 -14.818 1.553 -6.821 1.00 4.10 O ATOM 1974 CB GLU B 115 -12.067 3.501 -7.240 1.00 30.12 C ATOM 1975 CG GLU B 115 -11.540 4.944 -7.167 1.00 53.34 C ATOM 1976 CD GLU B 115 -12.629 6.015 -7.303 1.00 15.24 C ATOM 1977 OE1 GLU B 115 -13.335 6.033 -8.336 1.00 24.05 O ATOM 1978 OE2 GLU B 115 -12.777 6.848 -6.387 1.00 62.04 O ATOM 0 H GLU B 115 -11.453 3.201 -4.827 1.00 62.21 H new ATOM 0 HA GLU B 115 -13.889 3.837 -6.137 1.00 52.12 H new ATOM 0 HB2 GLU B 115 -11.217 2.821 -7.188 1.00 30.12 H new ATOM 0 HB3 GLU B 115 -12.534 3.354 -8.214 1.00 30.12 H new ATOM 0 HG2 GLU B 115 -11.025 5.084 -6.217 1.00 53.34 H new ATOM 0 HG3 GLU B 115 -10.801 5.090 -7.955 1.00 53.34 H new ATOM 1985 N CYS B 116 -12.805 0.673 -6.234 1.00 32.24 N ATOM 1986 CA CYS B 116 -13.127 -0.724 -6.576 1.00 65.32 C ATOM 1987 C CYS B 116 -14.070 -1.388 -5.550 1.00 1.43 C ATOM 1988 O CYS B 116 -14.715 -2.374 -5.878 1.00 4.23 O ATOM 1989 CB CYS B 116 -11.842 -1.552 -6.737 1.00 45.42 C ATOM 1990 SG CYS B 116 -10.683 -0.925 -7.962 1.00 71.51 S ATOM 0 H CYS B 116 -11.880 0.791 -5.822 1.00 32.24 H new ATOM 0 HA CYS B 116 -13.659 -0.699 -7.527 1.00 65.32 H new ATOM 0 HB2 CYS B 116 -11.337 -1.602 -5.773 1.00 45.42 H new ATOM 0 HB3 CYS B 116 -12.116 -2.572 -7.007 1.00 45.42 H new ATOM 0 HG CYS B 116 -9.938 -0.005 -7.424 1.00 71.51 H new ATOM 1996 N LEU B 117 -14.147 -0.854 -4.314 1.00 4.21 N ATOM 1997 CA LEU B 117 -15.097 -1.351 -3.273 1.00 71.03 C ATOM 1998 C LEU B 117 -16.543 -1.257 -3.799 1.00 34.33 C ATOM 1999 O LEU B 117 -17.392 -2.088 -3.474 1.00 21.44 O ATOM 2000 CB LEU B 117 -14.926 -0.559 -1.925 1.00 73.10 C ATOM 2001 CG LEU B 117 -13.736 -0.993 -0.993 1.00 3.13 C ATOM 2002 CD1 LEU B 117 -13.454 0.064 0.085 1.00 22.43 C ATOM 2003 CD2 LEU B 117 -14.009 -2.349 -0.319 1.00 10.04 C ATOM 0 H LEU B 117 -13.565 -0.076 -4.003 1.00 4.21 H new ATOM 0 HA LEU B 117 -14.871 -2.396 -3.062 1.00 71.03 H new ATOM 0 HB2 LEU B 117 -14.802 0.497 -2.165 1.00 73.10 H new ATOM 0 HB3 LEU B 117 -15.852 -0.650 -1.358 1.00 73.10 H new ATOM 0 HG LEU B 117 -12.859 -1.090 -1.633 1.00 3.13 H new ATOM 0 HD11 LEU B 117 -12.626 -0.267 0.712 1.00 22.43 H new ATOM 0 HD12 LEU B 117 -13.193 1.009 -0.391 1.00 22.43 H new ATOM 0 HD13 LEU B 117 -14.343 0.202 0.701 1.00 22.43 H new ATOM 0 HD21 LEU B 117 -13.165 -2.616 0.317 1.00 10.04 H new ATOM 0 HD22 LEU B 117 -14.912 -2.279 0.287 1.00 10.04 H new ATOM 0 HD23 LEU B 117 -14.144 -3.115 -1.083 1.00 10.04 H new ATOM 2015 N ALA B 118 -16.774 -0.241 -4.648 1.00 63.44 N ATOM 2016 CA ALA B 118 -18.064 0.006 -5.296 1.00 70.04 C ATOM 2017 C ALA B 118 -18.467 -1.133 -6.268 1.00 62.42 C ATOM 2018 O ALA B 118 -19.598 -1.639 -6.195 1.00 11.41 O ATOM 2019 CB ALA B 118 -18.015 1.365 -6.011 1.00 11.50 C ATOM 0 H ALA B 118 -16.057 0.438 -4.904 1.00 63.44 H new ATOM 0 HA ALA B 118 -18.836 0.028 -4.527 1.00 70.04 H new ATOM 0 HB1 ALA B 118 -18.972 1.556 -6.496 1.00 11.50 H new ATOM 0 HB2 ALA B 118 -17.813 2.152 -5.284 1.00 11.50 H new ATOM 0 HB3 ALA B 118 -17.224 1.353 -6.761 1.00 11.50 H new ATOM 2025 N GLU B 119 -17.553 -1.518 -7.190 1.00 52.45 N ATOM 2026 CA GLU B 119 -17.801 -2.606 -8.179 1.00 71.31 C ATOM 2027 C GLU B 119 -17.717 -4.013 -7.557 1.00 23.10 C ATOM 2028 O GLU B 119 -18.380 -4.945 -8.022 1.00 21.04 O ATOM 2029 CB GLU B 119 -16.785 -2.498 -9.346 1.00 13.30 C ATOM 2030 CG GLU B 119 -15.313 -2.739 -8.945 1.00 52.22 C ATOM 2031 CD GLU B 119 -14.315 -2.527 -10.084 1.00 72.34 C ATOM 2032 OE1 GLU B 119 -13.940 -1.360 -10.340 1.00 40.14 O ATOM 2033 OE2 GLU B 119 -13.913 -3.514 -10.726 1.00 62.24 O ATOM 0 H GLU B 119 -16.630 -1.091 -7.273 1.00 52.45 H new ATOM 0 HA GLU B 119 -18.819 -2.474 -8.545 1.00 71.31 H new ATOM 0 HB2 GLU B 119 -17.060 -3.218 -10.117 1.00 13.30 H new ATOM 0 HB3 GLU B 119 -16.868 -1.507 -9.792 1.00 13.30 H new ATOM 0 HG2 GLU B 119 -15.057 -2.071 -8.123 1.00 52.22 H new ATOM 0 HG3 GLU B 119 -15.211 -3.758 -8.571 1.00 52.22 H new ATOM 2040 N THR B 120 -16.896 -4.151 -6.509 1.00 60.14 N ATOM 2041 CA THR B 120 -16.685 -5.433 -5.813 1.00 75.14 C ATOM 2042 C THR B 120 -17.924 -5.748 -4.958 1.00 5.35 C ATOM 2043 O THR B 120 -18.226 -6.912 -4.689 1.00 24.03 O ATOM 2044 CB THR B 120 -15.369 -5.384 -4.950 1.00 41.32 C ATOM 2045 OG1 THR B 120 -14.248 -5.076 -5.803 1.00 11.11 O ATOM 2046 CG2 THR B 120 -15.063 -6.699 -4.207 1.00 42.41 C ATOM 0 H THR B 120 -16.357 -3.379 -6.117 1.00 60.14 H new ATOM 0 HA THR B 120 -16.555 -6.234 -6.540 1.00 75.14 H new ATOM 0 HB THR B 120 -15.530 -4.614 -4.195 1.00 41.32 H new ATOM 0 HG1 THR B 120 -14.221 -4.111 -5.972 1.00 11.11 H new ATOM 0 HG21 THR B 120 -14.142 -6.588 -3.635 1.00 42.41 H new ATOM 0 HG22 THR B 120 -15.885 -6.934 -3.530 1.00 42.41 H new ATOM 0 HG23 THR B 120 -14.946 -7.506 -4.930 1.00 42.41 H new ATOM 2054 N GLU B 121 -18.659 -4.677 -4.586 1.00 53.22 N ATOM 2055 CA GLU B 121 -19.922 -4.772 -3.846 1.00 73.21 C ATOM 2056 C GLU B 121 -21.012 -5.472 -4.681 1.00 4.11 C ATOM 2057 O GLU B 121 -21.917 -6.095 -4.126 1.00 41.40 O ATOM 2058 CB GLU B 121 -20.381 -3.360 -3.421 1.00 40.40 C ATOM 2059 CG GLU B 121 -21.510 -3.332 -2.381 1.00 0.10 C ATOM 2060 CD GLU B 121 -21.102 -3.951 -1.034 1.00 33.11 C ATOM 2061 OE1 GLU B 121 -20.462 -3.247 -0.218 1.00 20.23 O ATOM 2062 OE2 GLU B 121 -21.423 -5.129 -0.781 1.00 1.44 O ATOM 0 H GLU B 121 -18.384 -3.717 -4.796 1.00 53.22 H new ATOM 0 HA GLU B 121 -19.756 -5.378 -2.955 1.00 73.21 H new ATOM 0 HB2 GLU B 121 -19.523 -2.821 -3.019 1.00 40.40 H new ATOM 0 HB3 GLU B 121 -20.710 -2.819 -4.308 1.00 40.40 H new ATOM 0 HG2 GLU B 121 -21.823 -2.300 -2.220 1.00 0.10 H new ATOM 0 HG3 GLU B 121 -22.373 -3.869 -2.775 1.00 0.10 H new ATOM 2069 N ARG B 122 -20.908 -5.360 -6.024 1.00 71.21 N ATOM 2070 CA ARG B 122 -21.818 -6.053 -6.966 1.00 3.25 C ATOM 2071 C ARG B 122 -21.693 -7.587 -6.843 1.00 42.43 C ATOM 2072 O ARG B 122 -22.629 -8.319 -7.173 1.00 13.52 O ATOM 2073 CB ARG B 122 -21.525 -5.615 -8.423 1.00 25.14 C ATOM 2074 CG ARG B 122 -21.759 -4.123 -8.751 1.00 75.32 C ATOM 2075 CD ARG B 122 -23.240 -3.700 -8.705 1.00 20.14 C ATOM 2076 NE ARG B 122 -23.780 -3.667 -7.330 1.00 10.24 N ATOM 2077 CZ ARG B 122 -23.701 -2.620 -6.488 1.00 0.24 C ATOM 2078 NH1 ARG B 122 -23.101 -1.485 -6.860 1.00 43.42 N ATOM 2079 NH2 ARG B 122 -24.216 -2.715 -5.272 1.00 32.34 N ATOM 0 H ARG B 122 -20.197 -4.791 -6.484 1.00 71.21 H new ATOM 0 HA ARG B 122 -22.839 -5.772 -6.706 1.00 3.25 H new ATOM 0 HB2 ARG B 122 -20.487 -5.856 -8.650 1.00 25.14 H new ATOM 0 HB3 ARG B 122 -22.145 -6.213 -9.091 1.00 25.14 H new ATOM 0 HG2 ARG B 122 -21.195 -3.513 -8.046 1.00 75.32 H new ATOM 0 HG3 ARG B 122 -21.361 -3.912 -9.744 1.00 75.32 H new ATOM 0 HD2 ARG B 122 -23.346 -2.714 -9.157 1.00 20.14 H new ATOM 0 HD3 ARG B 122 -23.830 -4.391 -9.306 1.00 20.14 H new ATOM 0 HE ARG B 122 -24.251 -4.506 -6.991 1.00 10.24 H new ATOM 0 HH11 ARG B 122 -22.696 -1.404 -7.793 1.00 43.42 H new ATOM 0 HH12 ARG B 122 -23.049 -0.700 -6.211 1.00 43.42 H new ATOM 0 HH21 ARG B 122 -24.670 -3.579 -4.977 1.00 32.34 H new ATOM 0 HH22 ARG B 122 -24.158 -1.924 -4.631 1.00 32.34 H new ATOM 2093 N ASN B 123 -20.518 -8.049 -6.390 1.00 61.21 N ATOM 2094 CA ASN B 123 -20.268 -9.469 -6.087 1.00 54.21 C ATOM 2095 C ASN B 123 -20.560 -9.748 -4.603 1.00 12.41 C ATOM 2096 O ASN B 123 -21.083 -10.808 -4.250 1.00 3.33 O ATOM 2097 CB ASN B 123 -18.802 -9.859 -6.441 1.00 11.34 C ATOM 2098 CG ASN B 123 -18.492 -11.326 -6.113 1.00 61.24 C ATOM 2099 OD1 ASN B 123 -17.910 -11.581 -4.957 1.00 62.45 O flip ATOM 2100 ND2 ASN B 123 -18.760 -12.222 -6.911 1.00 44.21 N flip ATOM 0 H ASN B 123 -19.711 -7.448 -6.223 1.00 61.21 H new ATOM 0 HA ASN B 123 -20.935 -10.079 -6.697 1.00 54.21 H new ATOM 0 HB2 ASN B 123 -18.628 -9.682 -7.502 1.00 11.34 H new ATOM 0 HB3 ASN B 123 -18.115 -9.214 -5.893 1.00 11.34 H new ATOM 0 HD21 ASN B 123 -19.210 -11.997 -7.798 1.00 44.21 H new ATOM 0 HD22 ASN B 123 -18.532 -13.190 -6.686 1.00 44.21 H new ATOM 2107 N ALA B 124 -20.230 -8.771 -3.746 1.00 34.43 N ATOM 2108 CA ALA B 124 -20.352 -8.895 -2.284 1.00 74.12 C ATOM 2109 C ALA B 124 -21.819 -8.866 -1.840 1.00 72.34 C ATOM 2110 O ALA B 124 -22.672 -8.280 -2.505 1.00 1.14 O ATOM 2111 CB ALA B 124 -19.557 -7.792 -1.584 1.00 74.22 C ATOM 0 H ALA B 124 -19.869 -7.866 -4.048 1.00 34.43 H new ATOM 0 HA ALA B 124 -19.937 -9.861 -1.996 1.00 74.12 H new ATOM 0 HB1 ALA B 124 -19.659 -7.899 -0.504 1.00 74.22 H new ATOM 0 HB2 ALA B 124 -18.505 -7.871 -1.859 1.00 74.22 H new ATOM 0 HB3 ALA B 124 -19.940 -6.818 -1.889 1.00 74.22 H new ATOM 2117 N ARG B 125 -22.090 -9.494 -0.701 1.00 25.35 N ATOM 2118 CA ARG B 125 -23.443 -9.692 -0.188 1.00 23.14 C ATOM 2119 C ARG B 125 -23.921 -8.436 0.545 1.00 2.24 C ATOM 2120 O ARG B 125 -23.344 -8.065 1.565 1.00 1.23 O ATOM 2121 CB ARG B 125 -23.466 -10.919 0.758 1.00 21.10 C ATOM 2122 CG ARG B 125 -23.014 -12.235 0.090 1.00 34.44 C ATOM 2123 CD ARG B 125 -22.906 -13.399 1.087 1.00 51.11 C ATOM 2124 NE ARG B 125 -22.428 -14.653 0.463 1.00 20.35 N ATOM 2125 CZ ARG B 125 -21.936 -15.718 1.139 1.00 71.23 C ATOM 2126 NH1 ARG B 125 -21.839 -15.700 2.469 1.00 23.03 N ATOM 2127 NH2 ARG B 125 -21.549 -16.800 0.472 1.00 65.15 N ATOM 0 H ARG B 125 -21.366 -9.886 -0.099 1.00 25.35 H new ATOM 0 HA ARG B 125 -24.120 -9.878 -1.022 1.00 23.14 H new ATOM 0 HB2 ARG B 125 -22.821 -10.718 1.613 1.00 21.10 H new ATOM 0 HB3 ARG B 125 -24.477 -11.048 1.144 1.00 21.10 H new ATOM 0 HG2 ARG B 125 -23.721 -12.500 -0.696 1.00 34.44 H new ATOM 0 HG3 ARG B 125 -22.047 -12.081 -0.389 1.00 34.44 H new ATOM 0 HD2 ARG B 125 -22.227 -13.119 1.892 1.00 51.11 H new ATOM 0 HD3 ARG B 125 -23.882 -13.574 1.540 1.00 51.11 H new ATOM 0 HE ARG B 125 -22.473 -14.720 -0.554 1.00 20.35 H new ATOM 0 HH11 ARG B 125 -22.138 -14.876 2.991 1.00 23.03 H new ATOM 0 HH12 ARG B 125 -21.466 -16.510 2.964 1.00 23.03 H new ATOM 0 HH21 ARG B 125 -21.623 -16.826 -0.545 1.00 65.15 H new ATOM 0 HH22 ARG B 125 -21.178 -17.605 0.977 1.00 65.15 H new ATOM 2141 N THR B 126 -24.936 -7.773 -0.020 1.00 50.21 N ATOM 2142 CA THR B 126 -25.686 -6.682 0.627 1.00 55.21 C ATOM 2143 C THR B 126 -27.141 -6.689 0.075 1.00 73.32 C ATOM 2144 O THR B 126 -28.049 -7.199 0.767 1.00 60.32 O ATOM 2145 CB THR B 126 -25.007 -5.258 0.439 1.00 12.31 C ATOM 2146 OG1 THR B 126 -24.366 -5.182 -0.837 1.00 24.53 O ATOM 2147 CG2 THR B 126 -23.989 -4.922 1.552 1.00 72.11 C ATOM 2148 OXT THR B 126 -27.359 -6.235 -1.075 1.00 37.70 O ATOM 0 H THR B 126 -25.269 -7.982 -0.961 1.00 50.21 H new ATOM 0 HA THR B 126 -25.688 -6.861 1.702 1.00 55.21 H new ATOM 0 HB THR B 126 -25.808 -4.521 0.502 1.00 12.31 H new ATOM 0 HG1 THR B 126 -23.394 -5.200 -0.716 1.00 24.53 H new ATOM 0 HG21 THR B 126 -23.560 -3.937 1.367 1.00 72.11 H new ATOM 0 HG22 THR B 126 -24.493 -4.923 2.518 1.00 72.11 H new ATOM 0 HG23 THR B 126 -23.195 -5.669 1.556 1.00 72.11 H new TER 2156 THR B 126