USER MOD reduce.3.24.130724 H: found=0, std=0, add=1306, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 1306 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 78 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 82 THR OG1 : rot 101:sc= 0.0439 USER MOD Set 1.3: B 74 MET CE :methyl -152:sc= -0.155 (180deg=-1.16) USER MOD Set 2.1: A 74 MET CE :methyl -153:sc= -0.218 (180deg=-1.21) USER MOD Set 2.2: B 78 SER OG : rot 180:sc= 0 USER MOD Set 2.3: B 82 THR OG1 : rot 101:sc= 0.0742 USER MOD Single : A 1 SER N :NH3+ 131:sc= 0.0474 (180deg=0) USER MOD Single : A 1 SER OG : rot 99:sc= 0.658 USER MOD Single : A 5 LYS NZ :NH3+ 160:sc= -0.0731 (180deg=-0.541) USER MOD Single : A 7 MET CE :methyl -134:sc= -0.174 (180deg=-2.86!) USER MOD Single : A 15 HIS : no HE2:sc= -0.625 K(o=-0.62,f=-2.5) USER MOD Single : A 16 GLN : amide:sc= -0.0272 K(o=-0.027,f=-1.8!) USER MOD Single : A 17 TYR OH : rot 160:sc= -4.36! USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -139:sc= -0.851 (180deg=-2.24) USER MOD Single : A 25 HIS : no HD1:sc= -0.339 K(o=-0.34,f=-1.8) USER MOD Single : A 26 LYS NZ :NH3+ -131:sc= 0.0833 (180deg=-0.274) USER MOD Single : A 28 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.204) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -126:sc= -0.567 (180deg=-0.752) USER MOD Single : A 37 ASN : amide:sc= -0.371 X(o=-0.37,f=-0.15) USER MOD Single : A 38 ASN : amide:sc= -0.287 K(o=-0.29,f=-2.5!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 55 LYS NZ :NH3+ 158:sc= -0.105 (180deg=-0.755) USER MOD Single : A 57 MET CE :methyl -129:sc= -0.215 (180deg=-3.09!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 CYS SG : rot 180:sc= -1.2 USER MOD Single : A 71 GLN : amide:sc= -5.64! C(o=-5.6!,f=-4!) USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot -4:sc= -0.177 USER MOD Single : A 84 CYS SG : rot -125:sc= 0.399 USER MOD Single : B 1 SER N :NH3+ 141:sc= 0.0641 (180deg=0) USER MOD Single : B 1 SER OG : rot 96:sc= 0.702 USER MOD Single : B 5 LYS NZ :NH3+ 161:sc= -0.0602 (180deg=-0.451) USER MOD Single : B 7 MET CE :methyl -135:sc= -0.172 (180deg=-3.22!) USER MOD Single : B 15 HIS : no HE2:sc= -0.549 K(o=-0.55,f=-2.4) USER MOD Single : B 16 GLN : amide:sc= -0.0262 K(o=-0.026,f=-1.8!) USER MOD Single : B 17 TYR OH : rot 163:sc= -4.28! USER MOD Single : B 18 SER OG : rot 180:sc= 0 USER MOD Single : B 24 LYS NZ :NH3+ -139:sc= -0.838 (180deg=-2.18) USER MOD Single : B 25 HIS : no HD1:sc= -0.342 K(o=-0.34,f=-1.8) USER MOD Single : B 26 LYS NZ :NH3+ -129:sc= 0.0957 (180deg=-0.246) USER MOD Single : B 28 LYS NZ :NH3+ -163:sc= -0.0126 (180deg=-0.257) USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 SER OG : rot 180:sc= 0 USER MOD Single : B 33 LYS NZ :NH3+ -129:sc= -0.463 (180deg=-0.682) USER MOD Single : B 37 ASN : amide:sc= -0.368 X(o=-0.37,f=-0.14) USER MOD Single : B 38 ASN : amide:sc= -0.296 K(o=-0.3,f=-2.5!) USER MOD Single : B 41 SER OG : rot 180:sc= 0 USER MOD Single : B 42 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : B 55 LYS NZ :NH3+ 161:sc= -0.0686 (180deg=-0.692) USER MOD Single : B 57 MET CE :methyl -130:sc= -0.192 (180deg=-2.82!) USER MOD Single : B 59 THR OG1 : rot 180:sc= 0 USER MOD Single : B 68 CYS SG : rot 180:sc= -1.16 USER MOD Single : B 71 GLN : amide:sc= -5.7! C(o=-5.7!,f=-4!) USER MOD Single : B 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 81 THR OG1 : rot -12:sc= 0.128 USER MOD Single : B 84 CYS SG : rot -125:sc= 0.264 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 67.778 13.119 -9.800 1.00 0.00 N ATOM 2 CA SER A 1 68.709 12.114 -10.388 1.00 0.00 C ATOM 3 C SER A 1 68.147 10.707 -10.178 1.00 0.00 C ATOM 4 O SER A 1 67.423 10.451 -9.236 1.00 0.00 O ATOM 5 CB SER A 1 70.071 12.223 -9.704 1.00 0.00 C ATOM 6 OG SER A 1 70.778 11.001 -9.873 1.00 0.00 O ATOM 0 H1 SER A 1 68.313 13.780 -9.202 1.00 0.00 H new ATOM 0 H2 SER A 1 67.309 13.646 -10.564 1.00 0.00 H new ATOM 0 H3 SER A 1 67.061 12.633 -9.224 1.00 0.00 H new ATOM 0 HA SER A 1 68.819 12.304 -11.456 1.00 0.00 H new ATOM 0 HB2 SER A 1 70.641 13.049 -10.131 1.00 0.00 H new ATOM 0 HB3 SER A 1 69.942 12.439 -8.643 1.00 0.00 H new ATOM 0 HG SER A 1 71.417 11.092 -10.610 1.00 0.00 H new ATOM 14 N GLU A 2 68.463 9.794 -11.057 1.00 0.00 N ATOM 15 CA GLU A 2 67.941 8.405 -10.927 1.00 0.00 C ATOM 16 C GLU A 2 68.402 7.794 -9.600 1.00 0.00 C ATOM 17 O GLU A 2 67.683 7.040 -8.978 1.00 0.00 O ATOM 18 CB GLU A 2 68.471 7.564 -12.092 1.00 0.00 C ATOM 19 CG GLU A 2 67.805 8.013 -13.397 1.00 0.00 C ATOM 20 CD GLU A 2 68.433 7.263 -14.574 1.00 0.00 C ATOM 21 OE1 GLU A 2 68.017 6.145 -14.828 1.00 0.00 O ATOM 22 OE2 GLU A 2 69.321 7.819 -15.201 1.00 0.00 O ATOM 0 H GLU A 2 69.065 9.953 -11.865 1.00 0.00 H new ATOM 0 HA GLU A 2 66.851 8.422 -10.947 1.00 0.00 H new ATOM 0 HB2 GLU A 2 69.553 7.672 -12.169 1.00 0.00 H new ATOM 0 HB3 GLU A 2 68.268 6.508 -11.913 1.00 0.00 H new ATOM 0 HG2 GLU A 2 66.733 7.817 -13.357 1.00 0.00 H new ATOM 0 HG3 GLU A 2 67.928 9.088 -13.530 1.00 0.00 H new ATOM 29 N LEU A 3 69.585 8.113 -9.153 1.00 0.00 N ATOM 30 CA LEU A 3 70.072 7.552 -7.859 1.00 0.00 C ATOM 31 C LEU A 3 69.296 8.154 -6.680 1.00 0.00 C ATOM 32 O LEU A 3 69.077 7.500 -5.680 1.00 0.00 O ATOM 33 CB LEU A 3 71.563 7.869 -7.700 1.00 0.00 C ATOM 34 CG LEU A 3 72.395 7.032 -8.684 1.00 0.00 C ATOM 35 CD1 LEU A 3 73.817 7.598 -8.747 1.00 0.00 C ATOM 36 CD2 LEU A 3 72.455 5.559 -8.224 1.00 0.00 C ATOM 0 H LEU A 3 70.237 8.738 -9.627 1.00 0.00 H new ATOM 0 HA LEU A 3 69.916 6.473 -7.864 1.00 0.00 H new ATOM 0 HB2 LEU A 3 71.737 8.930 -7.878 1.00 0.00 H new ATOM 0 HB3 LEU A 3 71.879 7.661 -6.678 1.00 0.00 H new ATOM 0 HG LEU A 3 71.928 7.075 -9.668 1.00 0.00 H new ATOM 0 HD11 LEU A 3 74.413 7.008 -9.444 1.00 0.00 H new ATOM 0 HD12 LEU A 3 73.782 8.633 -9.086 1.00 0.00 H new ATOM 0 HD13 LEU A 3 74.270 7.556 -7.756 1.00 0.00 H new ATOM 0 HD21 LEU A 3 73.048 4.981 -8.932 1.00 0.00 H new ATOM 0 HD22 LEU A 3 72.914 5.505 -7.237 1.00 0.00 H new ATOM 0 HD23 LEU A 3 71.445 5.151 -8.178 1.00 0.00 H new ATOM 48 N GLU A 4 68.878 9.390 -6.777 1.00 0.00 N ATOM 49 CA GLU A 4 68.121 10.009 -5.645 1.00 0.00 C ATOM 50 C GLU A 4 66.812 9.244 -5.422 1.00 0.00 C ATOM 51 O GLU A 4 66.444 8.937 -4.306 1.00 0.00 O ATOM 52 CB GLU A 4 67.816 11.478 -5.980 1.00 0.00 C ATOM 53 CG GLU A 4 67.084 12.156 -4.811 1.00 0.00 C ATOM 54 CD GLU A 4 68.026 12.267 -3.610 1.00 0.00 C ATOM 55 OE1 GLU A 4 69.212 12.049 -3.790 1.00 0.00 O ATOM 56 OE2 GLU A 4 67.544 12.574 -2.532 1.00 0.00 O ATOM 0 H GLU A 4 69.026 9.995 -7.585 1.00 0.00 H new ATOM 0 HA GLU A 4 68.720 9.962 -4.736 1.00 0.00 H new ATOM 0 HB2 GLU A 4 68.744 12.009 -6.193 1.00 0.00 H new ATOM 0 HB3 GLU A 4 67.204 11.532 -6.880 1.00 0.00 H new ATOM 0 HG2 GLU A 4 66.741 13.147 -5.109 1.00 0.00 H new ATOM 0 HG3 GLU A 4 66.199 11.580 -4.540 1.00 0.00 H new ATOM 63 N LYS A 5 66.103 8.948 -6.474 1.00 0.00 N ATOM 64 CA LYS A 5 64.807 8.220 -6.338 1.00 0.00 C ATOM 65 C LYS A 5 65.024 6.845 -5.710 1.00 0.00 C ATOM 66 O LYS A 5 64.216 6.371 -4.937 1.00 0.00 O ATOM 67 CB LYS A 5 64.175 8.038 -7.717 1.00 0.00 C ATOM 68 CG LYS A 5 63.695 9.389 -8.245 1.00 0.00 C ATOM 69 CD LYS A 5 63.063 9.195 -9.624 1.00 0.00 C ATOM 70 CE LYS A 5 62.579 10.541 -10.163 1.00 0.00 C ATOM 71 NZ LYS A 5 63.745 11.451 -10.347 1.00 0.00 N ATOM 0 H LYS A 5 66.366 9.180 -7.432 1.00 0.00 H new ATOM 0 HA LYS A 5 64.149 8.806 -5.696 1.00 0.00 H new ATOM 0 HB2 LYS A 5 64.900 7.604 -8.406 1.00 0.00 H new ATOM 0 HB3 LYS A 5 63.338 7.342 -7.655 1.00 0.00 H new ATOM 0 HG2 LYS A 5 62.970 9.825 -7.558 1.00 0.00 H new ATOM 0 HG3 LYS A 5 64.531 10.085 -8.310 1.00 0.00 H new ATOM 0 HD2 LYS A 5 63.789 8.758 -10.309 1.00 0.00 H new ATOM 0 HD3 LYS A 5 62.228 8.498 -9.557 1.00 0.00 H new ATOM 0 HE2 LYS A 5 62.061 10.400 -11.112 1.00 0.00 H new ATOM 0 HE3 LYS A 5 61.863 10.985 -9.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 63.490 12.212 -11.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 64.012 11.863 -9.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 64.548 10.913 -10.731 1.00 0.00 H new ATOM 85 N ALA A 6 66.091 6.186 -6.056 1.00 0.00 N ATOM 86 CA ALA A 6 66.326 4.828 -5.495 1.00 0.00 C ATOM 87 C ALA A 6 66.393 4.910 -3.972 1.00 0.00 C ATOM 88 O ALA A 6 65.755 4.148 -3.277 1.00 0.00 O ATOM 89 CB ALA A 6 67.649 4.270 -6.030 1.00 0.00 C ATOM 0 H ALA A 6 66.807 6.525 -6.699 1.00 0.00 H new ATOM 0 HA ALA A 6 65.508 4.171 -5.791 1.00 0.00 H new ATOM 0 HB1 ALA A 6 67.818 3.275 -5.617 1.00 0.00 H new ATOM 0 HB2 ALA A 6 67.605 4.209 -7.117 1.00 0.00 H new ATOM 0 HB3 ALA A 6 68.467 4.928 -5.737 1.00 0.00 H new ATOM 95 N MET A 7 67.154 5.824 -3.442 1.00 0.00 N ATOM 96 CA MET A 7 67.247 5.936 -1.961 1.00 0.00 C ATOM 97 C MET A 7 65.899 6.379 -1.380 1.00 0.00 C ATOM 98 O MET A 7 65.447 5.873 -0.373 1.00 0.00 O ATOM 99 CB MET A 7 68.318 6.965 -1.607 1.00 0.00 C ATOM 100 CG MET A 7 69.696 6.400 -1.956 1.00 0.00 C ATOM 101 SD MET A 7 70.979 7.593 -1.494 1.00 0.00 S ATOM 102 CE MET A 7 70.598 8.871 -2.722 1.00 0.00 C ATOM 0 H MET A 7 67.714 6.496 -3.967 1.00 0.00 H new ATOM 0 HA MET A 7 67.510 4.965 -1.541 1.00 0.00 H new ATOM 0 HB2 MET A 7 68.143 7.892 -2.153 1.00 0.00 H new ATOM 0 HB3 MET A 7 68.270 7.207 -0.545 1.00 0.00 H new ATOM 0 HG2 MET A 7 69.857 5.457 -1.433 1.00 0.00 H new ATOM 0 HG3 MET A 7 69.752 6.186 -3.023 1.00 0.00 H new ATOM 0 HE1 MET A 7 71.521 9.212 -3.191 1.00 0.00 H new ATOM 0 HE2 MET A 7 69.935 8.459 -3.483 1.00 0.00 H new ATOM 0 HE3 MET A 7 70.108 9.712 -2.232 1.00 0.00 H new ATOM 112 N VAL A 8 65.261 7.333 -2.003 1.00 0.00 N ATOM 113 CA VAL A 8 63.952 7.832 -1.489 1.00 0.00 C ATOM 114 C VAL A 8 62.931 6.683 -1.457 1.00 0.00 C ATOM 115 O VAL A 8 62.137 6.576 -0.543 1.00 0.00 O ATOM 116 CB VAL A 8 63.450 8.966 -2.395 1.00 0.00 C ATOM 117 CG1 VAL A 8 62.007 9.326 -2.030 1.00 0.00 C ATOM 118 CG2 VAL A 8 64.346 10.201 -2.212 1.00 0.00 C ATOM 0 H VAL A 8 65.592 7.791 -2.852 1.00 0.00 H new ATOM 0 HA VAL A 8 64.078 8.213 -0.476 1.00 0.00 H new ATOM 0 HB VAL A 8 63.485 8.637 -3.433 1.00 0.00 H new ATOM 0 HG11 VAL A 8 61.658 10.131 -2.677 1.00 0.00 H new ATOM 0 HG12 VAL A 8 61.369 8.452 -2.162 1.00 0.00 H new ATOM 0 HG13 VAL A 8 61.965 9.652 -0.991 1.00 0.00 H new ATOM 0 HG21 VAL A 8 63.991 11.007 -2.855 1.00 0.00 H new ATOM 0 HG22 VAL A 8 64.312 10.525 -1.172 1.00 0.00 H new ATOM 0 HG23 VAL A 8 65.372 9.949 -2.480 1.00 0.00 H new ATOM 128 N ALA A 9 62.928 5.838 -2.454 1.00 0.00 N ATOM 129 CA ALA A 9 61.939 4.718 -2.478 1.00 0.00 C ATOM 130 C ALA A 9 62.123 3.826 -1.246 1.00 0.00 C ATOM 131 O ALA A 9 61.165 3.370 -0.652 1.00 0.00 O ATOM 132 CB ALA A 9 62.156 3.875 -3.738 1.00 0.00 C ATOM 0 H ALA A 9 63.564 5.874 -3.250 1.00 0.00 H new ATOM 0 HA ALA A 9 60.932 5.136 -2.475 1.00 0.00 H new ATOM 0 HB1 ALA A 9 61.435 3.057 -3.757 1.00 0.00 H new ATOM 0 HB2 ALA A 9 62.020 4.499 -4.621 1.00 0.00 H new ATOM 0 HB3 ALA A 9 63.167 3.468 -3.734 1.00 0.00 H new ATOM 138 N LEU A 10 63.338 3.571 -0.857 1.00 0.00 N ATOM 139 CA LEU A 10 63.570 2.704 0.337 1.00 0.00 C ATOM 140 C LEU A 10 62.958 3.365 1.584 1.00 0.00 C ATOM 141 O LEU A 10 62.306 2.713 2.377 1.00 0.00 O ATOM 142 CB LEU A 10 65.086 2.492 0.532 1.00 0.00 C ATOM 143 CG LEU A 10 65.610 1.303 -0.313 1.00 0.00 C ATOM 144 CD1 LEU A 10 65.287 -0.030 0.376 1.00 0.00 C ATOM 145 CD2 LEU A 10 64.995 1.312 -1.723 1.00 0.00 C ATOM 0 H LEU A 10 64.181 3.923 -1.310 1.00 0.00 H new ATOM 0 HA LEU A 10 63.094 1.736 0.184 1.00 0.00 H new ATOM 0 HB2 LEU A 10 65.620 3.400 0.253 1.00 0.00 H new ATOM 0 HB3 LEU A 10 65.296 2.310 1.586 1.00 0.00 H new ATOM 0 HG LEU A 10 66.691 1.412 -0.401 1.00 0.00 H new ATOM 0 HD11 LEU A 10 65.662 -0.854 -0.231 1.00 0.00 H new ATOM 0 HD12 LEU A 10 65.761 -0.057 1.357 1.00 0.00 H new ATOM 0 HD13 LEU A 10 64.208 -0.127 0.492 1.00 0.00 H new ATOM 0 HD21 LEU A 10 65.380 0.467 -2.293 1.00 0.00 H new ATOM 0 HD22 LEU A 10 63.910 1.234 -1.647 1.00 0.00 H new ATOM 0 HD23 LEU A 10 65.258 2.241 -2.229 1.00 0.00 H new ATOM 157 N ILE A 11 63.155 4.647 1.771 1.00 0.00 N ATOM 158 CA ILE A 11 62.569 5.312 2.977 1.00 0.00 C ATOM 159 C ILE A 11 61.045 5.169 2.958 1.00 0.00 C ATOM 160 O ILE A 11 60.441 4.752 3.926 1.00 0.00 O ATOM 161 CB ILE A 11 62.954 6.800 2.976 1.00 0.00 C ATOM 162 CG1 ILE A 11 64.454 6.934 3.262 1.00 0.00 C ATOM 163 CG2 ILE A 11 62.161 7.554 4.049 1.00 0.00 C ATOM 164 CD1 ILE A 11 64.915 8.374 3.011 1.00 0.00 C ATOM 0 H ILE A 11 63.689 5.255 1.150 1.00 0.00 H new ATOM 0 HA ILE A 11 62.958 4.838 3.878 1.00 0.00 H new ATOM 0 HB ILE A 11 62.722 7.227 2.000 1.00 0.00 H new ATOM 0 HG12 ILE A 11 64.661 6.653 4.295 1.00 0.00 H new ATOM 0 HG13 ILE A 11 65.015 6.249 2.627 1.00 0.00 H new ATOM 0 HG21 ILE A 11 62.443 8.607 4.038 1.00 0.00 H new ATOM 0 HG22 ILE A 11 61.094 7.462 3.845 1.00 0.00 H new ATOM 0 HG23 ILE A 11 62.381 7.130 5.029 1.00 0.00 H new ATOM 0 HD11 ILE A 11 65.982 8.456 3.218 1.00 0.00 H new ATOM 0 HD12 ILE A 11 64.725 8.641 1.971 1.00 0.00 H new ATOM 0 HD13 ILE A 11 64.366 9.051 3.665 1.00 0.00 H new ATOM 176 N ASP A 12 60.418 5.519 1.874 1.00 0.00 N ATOM 177 CA ASP A 12 58.935 5.409 1.818 1.00 0.00 C ATOM 178 C ASP A 12 58.530 3.950 2.039 1.00 0.00 C ATOM 179 O ASP A 12 57.610 3.655 2.776 1.00 0.00 O ATOM 180 CB ASP A 12 58.441 5.879 0.448 1.00 0.00 C ATOM 181 CG ASP A 12 56.917 5.767 0.388 1.00 0.00 C ATOM 182 OD1 ASP A 12 56.427 4.651 0.335 1.00 0.00 O ATOM 183 OD2 ASP A 12 56.266 6.798 0.395 1.00 0.00 O ATOM 0 H ASP A 12 60.863 5.875 1.028 1.00 0.00 H new ATOM 0 HA ASP A 12 58.490 6.032 2.594 1.00 0.00 H new ATOM 0 HB2 ASP A 12 58.747 6.910 0.274 1.00 0.00 H new ATOM 0 HB3 ASP A 12 58.892 5.275 -0.340 1.00 0.00 H new ATOM 188 N VAL A 13 59.216 3.038 1.410 1.00 0.00 N ATOM 189 CA VAL A 13 58.878 1.598 1.589 1.00 0.00 C ATOM 190 C VAL A 13 59.258 1.145 3.006 1.00 0.00 C ATOM 191 O VAL A 13 58.552 0.382 3.635 1.00 0.00 O ATOM 192 CB VAL A 13 59.634 0.759 0.548 1.00 0.00 C ATOM 193 CG1 VAL A 13 59.494 -0.738 0.871 1.00 0.00 C ATOM 194 CG2 VAL A 13 59.057 1.040 -0.843 1.00 0.00 C ATOM 0 H VAL A 13 59.996 3.227 0.780 1.00 0.00 H new ATOM 0 HA VAL A 13 57.806 1.459 1.450 1.00 0.00 H new ATOM 0 HB VAL A 13 60.690 1.027 0.570 1.00 0.00 H new ATOM 0 HG11 VAL A 13 60.034 -1.323 0.126 1.00 0.00 H new ATOM 0 HG12 VAL A 13 59.908 -0.937 1.859 1.00 0.00 H new ATOM 0 HG13 VAL A 13 58.440 -1.016 0.857 1.00 0.00 H new ATOM 0 HG21 VAL A 13 59.591 0.446 -1.585 1.00 0.00 H new ATOM 0 HG22 VAL A 13 58.000 0.775 -0.859 1.00 0.00 H new ATOM 0 HG23 VAL A 13 59.169 2.099 -1.076 1.00 0.00 H new ATOM 204 N PHE A 14 60.378 1.597 3.502 1.00 0.00 N ATOM 205 CA PHE A 14 60.822 1.181 4.867 1.00 0.00 C ATOM 206 C PHE A 14 59.842 1.678 5.935 1.00 0.00 C ATOM 207 O PHE A 14 59.295 0.903 6.695 1.00 0.00 O ATOM 208 CB PHE A 14 62.205 1.787 5.129 1.00 0.00 C ATOM 209 CG PHE A 14 62.665 1.483 6.540 1.00 0.00 C ATOM 210 CD1 PHE A 14 62.350 2.365 7.583 1.00 0.00 C ATOM 211 CD2 PHE A 14 63.419 0.333 6.803 1.00 0.00 C ATOM 212 CE1 PHE A 14 62.788 2.095 8.886 1.00 0.00 C ATOM 213 CE2 PHE A 14 63.859 0.066 8.107 1.00 0.00 C ATOM 214 CZ PHE A 14 63.544 0.947 9.147 1.00 0.00 C ATOM 0 H PHE A 14 61.008 2.239 3.020 1.00 0.00 H new ATOM 0 HA PHE A 14 60.859 0.093 4.917 1.00 0.00 H new ATOM 0 HB2 PHE A 14 62.924 1.388 4.413 1.00 0.00 H new ATOM 0 HB3 PHE A 14 62.169 2.866 4.977 1.00 0.00 H new ATOM 0 HD1 PHE A 14 61.769 3.253 7.382 1.00 0.00 H new ATOM 0 HD2 PHE A 14 63.662 -0.349 6.001 1.00 0.00 H new ATOM 0 HE1 PHE A 14 62.542 2.773 9.690 1.00 0.00 H new ATOM 0 HE2 PHE A 14 64.442 -0.821 8.309 1.00 0.00 H new ATOM 0 HZ PHE A 14 63.884 0.741 10.151 1.00 0.00 H new ATOM 224 N HIS A 15 59.651 2.967 6.036 1.00 0.00 N ATOM 225 CA HIS A 15 58.750 3.511 7.096 1.00 0.00 C ATOM 226 C HIS A 15 57.315 3.006 6.944 1.00 0.00 C ATOM 227 O HIS A 15 56.674 2.682 7.924 1.00 0.00 O ATOM 228 CB HIS A 15 58.759 5.041 7.034 1.00 0.00 C ATOM 229 CG HIS A 15 60.080 5.554 7.539 1.00 0.00 C ATOM 230 ND1 HIS A 15 61.172 5.733 6.704 1.00 0.00 N ATOM 231 CD2 HIS A 15 60.501 5.924 8.794 1.00 0.00 C ATOM 232 CE1 HIS A 15 62.188 6.195 7.458 1.00 0.00 C ATOM 233 NE2 HIS A 15 61.830 6.327 8.735 1.00 0.00 N ATOM 0 H HIS A 15 60.080 3.667 5.431 1.00 0.00 H new ATOM 0 HA HIS A 15 59.124 3.165 8.060 1.00 0.00 H new ATOM 0 HB2 HIS A 15 58.594 5.375 6.010 1.00 0.00 H new ATOM 0 HB3 HIS A 15 57.945 5.445 7.636 1.00 0.00 H new ATOM 0 HD1 HIS A 15 61.201 5.548 5.701 1.00 0.00 H new ATOM 0 HD2 HIS A 15 59.894 5.905 9.687 1.00 0.00 H new ATOM 0 HE1 HIS A 15 63.170 6.429 7.075 1.00 0.00 H new ATOM 242 N GLN A 16 56.784 2.923 5.757 1.00 0.00 N ATOM 243 CA GLN A 16 55.387 2.424 5.625 1.00 0.00 C ATOM 244 C GLN A 16 55.347 0.933 5.947 1.00 0.00 C ATOM 245 O GLN A 16 54.455 0.449 6.614 1.00 0.00 O ATOM 246 CB GLN A 16 54.905 2.656 4.192 1.00 0.00 C ATOM 247 CG GLN A 16 53.471 2.148 4.045 1.00 0.00 C ATOM 248 CD GLN A 16 52.911 2.587 2.691 1.00 0.00 C ATOM 249 OE1 GLN A 16 53.512 3.386 2.001 1.00 0.00 O ATOM 250 NE2 GLN A 16 51.782 2.084 2.273 1.00 0.00 N ATOM 0 H GLN A 16 57.248 3.175 4.884 1.00 0.00 H new ATOM 0 HA GLN A 16 54.737 2.958 6.319 1.00 0.00 H new ATOM 0 HB2 GLN A 16 54.952 3.718 3.949 1.00 0.00 H new ATOM 0 HB3 GLN A 16 55.559 2.139 3.489 1.00 0.00 H new ATOM 0 HG2 GLN A 16 53.449 1.061 4.125 1.00 0.00 H new ATOM 0 HG3 GLN A 16 52.851 2.539 4.851 1.00 0.00 H new ATOM 0 HE21 GLN A 16 51.277 1.413 2.852 1.00 0.00 H new ATOM 0 HE22 GLN A 16 51.404 2.362 1.367 1.00 0.00 H new ATOM 259 N TYR A 17 56.321 0.207 5.478 1.00 0.00 N ATOM 260 CA TYR A 17 56.370 -1.254 5.753 1.00 0.00 C ATOM 261 C TYR A 17 56.762 -1.479 7.216 1.00 0.00 C ATOM 262 O TYR A 17 56.195 -2.303 7.908 1.00 0.00 O ATOM 263 CB TYR A 17 57.408 -1.906 4.837 1.00 0.00 C ATOM 264 CG TYR A 17 57.416 -3.396 5.068 1.00 0.00 C ATOM 265 CD1 TYR A 17 58.236 -3.944 6.061 1.00 0.00 C ATOM 266 CD2 TYR A 17 56.607 -4.231 4.287 1.00 0.00 C ATOM 267 CE1 TYR A 17 58.246 -5.326 6.276 1.00 0.00 C ATOM 268 CE2 TYR A 17 56.618 -5.614 4.501 1.00 0.00 C ATOM 269 CZ TYR A 17 57.437 -6.161 5.496 1.00 0.00 C ATOM 270 OH TYR A 17 57.445 -7.524 5.711 1.00 0.00 O ATOM 0 H TYR A 17 57.090 0.565 4.912 1.00 0.00 H new ATOM 0 HA TYR A 17 55.392 -1.698 5.566 1.00 0.00 H new ATOM 0 HB2 TYR A 17 57.175 -1.690 3.794 1.00 0.00 H new ATOM 0 HB3 TYR A 17 58.396 -1.491 5.036 1.00 0.00 H new ATOM 0 HD1 TYR A 17 58.861 -3.300 6.661 1.00 0.00 H new ATOM 0 HD2 TYR A 17 55.975 -3.808 3.520 1.00 0.00 H new ATOM 0 HE1 TYR A 17 58.877 -5.749 7.043 1.00 0.00 H new ATOM 0 HE2 TYR A 17 55.995 -6.259 3.899 1.00 0.00 H new ATOM 0 HH TYR A 17 56.630 -7.919 5.336 1.00 0.00 H new ATOM 280 N SER A 18 57.739 -0.750 7.680 1.00 0.00 N ATOM 281 CA SER A 18 58.204 -0.898 9.089 1.00 0.00 C ATOM 282 C SER A 18 57.182 -0.292 10.053 1.00 0.00 C ATOM 283 O SER A 18 57.133 -0.640 11.217 1.00 0.00 O ATOM 284 CB SER A 18 59.541 -0.177 9.252 1.00 0.00 C ATOM 285 OG SER A 18 60.032 -0.386 10.569 1.00 0.00 O ATOM 0 H SER A 18 58.242 -0.049 7.136 1.00 0.00 H new ATOM 0 HA SER A 18 58.319 -1.958 9.317 1.00 0.00 H new ATOM 0 HB2 SER A 18 60.259 -0.549 8.521 1.00 0.00 H new ATOM 0 HB3 SER A 18 59.417 0.889 9.063 1.00 0.00 H new ATOM 0 HG SER A 18 60.891 0.075 10.675 1.00 0.00 H new ATOM 291 N GLY A 19 56.372 0.617 9.585 1.00 0.00 N ATOM 292 CA GLY A 19 55.359 1.255 10.477 1.00 0.00 C ATOM 293 C GLY A 19 54.070 0.433 10.475 1.00 0.00 C ATOM 294 O GLY A 19 53.006 0.937 10.779 1.00 0.00 O ATOM 0 H GLY A 19 56.367 0.948 8.620 1.00 0.00 H new ATOM 0 HA2 GLY A 19 55.751 1.330 11.491 1.00 0.00 H new ATOM 0 HA3 GLY A 19 55.153 2.271 10.139 1.00 0.00 H new ATOM 298 N ARG A 20 54.148 -0.832 10.154 1.00 0.00 N ATOM 299 CA ARG A 20 52.919 -1.675 10.158 1.00 0.00 C ATOM 300 C ARG A 20 52.659 -2.159 11.587 1.00 0.00 C ATOM 301 O ARG A 20 51.545 -2.131 12.071 1.00 0.00 O ATOM 302 CB ARG A 20 53.122 -2.883 9.230 1.00 0.00 C ATOM 303 CG ARG A 20 53.253 -2.425 7.765 1.00 0.00 C ATOM 304 CD ARG A 20 51.868 -2.215 7.132 1.00 0.00 C ATOM 305 NE ARG A 20 51.246 -3.541 6.857 1.00 0.00 N ATOM 306 CZ ARG A 20 51.560 -4.200 5.775 1.00 0.00 C ATOM 307 NH1 ARG A 20 52.408 -3.693 4.922 1.00 0.00 N ATOM 308 NH2 ARG A 20 51.020 -5.367 5.544 1.00 0.00 N ATOM 0 H ARG A 20 55.007 -1.315 9.890 1.00 0.00 H new ATOM 0 HA ARG A 20 52.067 -1.094 9.804 1.00 0.00 H new ATOM 0 HB2 ARG A 20 54.017 -3.430 9.527 1.00 0.00 H new ATOM 0 HB3 ARG A 20 52.281 -3.569 9.328 1.00 0.00 H new ATOM 0 HG2 ARG A 20 53.823 -1.497 7.719 1.00 0.00 H new ATOM 0 HG3 ARG A 20 53.809 -3.169 7.195 1.00 0.00 H new ATOM 0 HD2 ARG A 20 51.233 -1.635 7.802 1.00 0.00 H new ATOM 0 HD3 ARG A 20 51.961 -1.645 6.207 1.00 0.00 H new ATOM 0 HE ARG A 20 50.574 -3.934 7.516 1.00 0.00 H new ATOM 0 HH11 ARG A 20 52.827 -2.780 5.100 1.00 0.00 H new ATOM 0 HH12 ARG A 20 52.652 -4.210 4.077 1.00 0.00 H new ATOM 0 HH21 ARG A 20 50.354 -5.761 6.209 1.00 0.00 H new ATOM 0 HH22 ARG A 20 51.264 -5.884 4.699 1.00 0.00 H new ATOM 322 N GLU A 21 53.687 -2.599 12.269 1.00 0.00 N ATOM 323 CA GLU A 21 53.522 -3.081 13.674 1.00 0.00 C ATOM 324 C GLU A 21 54.799 -2.803 14.468 1.00 0.00 C ATOM 325 O GLU A 21 55.875 -2.689 13.917 1.00 0.00 O ATOM 326 CB GLU A 21 53.246 -4.589 13.684 1.00 0.00 C ATOM 327 CG GLU A 21 51.829 -4.864 13.176 1.00 0.00 C ATOM 328 CD GLU A 21 51.563 -6.370 13.190 1.00 0.00 C ATOM 329 OE1 GLU A 21 52.505 -7.118 13.398 1.00 0.00 O ATOM 330 OE2 GLU A 21 50.421 -6.752 12.994 1.00 0.00 O ATOM 0 H GLU A 21 54.640 -2.645 11.909 1.00 0.00 H new ATOM 0 HA GLU A 21 52.682 -2.555 14.129 1.00 0.00 H new ATOM 0 HB2 GLU A 21 53.973 -5.104 13.056 1.00 0.00 H new ATOM 0 HB3 GLU A 21 53.362 -4.982 14.694 1.00 0.00 H new ATOM 0 HG2 GLU A 21 51.101 -4.350 13.803 1.00 0.00 H new ATOM 0 HG3 GLU A 21 51.712 -4.473 12.165 1.00 0.00 H new ATOM 337 N GLY A 22 54.688 -2.704 15.766 1.00 0.00 N ATOM 338 CA GLY A 22 55.893 -2.449 16.604 1.00 0.00 C ATOM 339 C GLY A 22 56.267 -0.968 16.548 1.00 0.00 C ATOM 340 O GLY A 22 55.542 -0.150 16.017 1.00 0.00 O ATOM 0 H GLY A 22 53.812 -2.789 16.282 1.00 0.00 H new ATOM 0 HA2 GLY A 22 55.698 -2.744 17.635 1.00 0.00 H new ATOM 0 HA3 GLY A 22 56.726 -3.056 16.251 1.00 0.00 H new ATOM 344 N ASP A 23 57.399 -0.619 17.098 1.00 0.00 N ATOM 345 CA ASP A 23 57.830 0.807 17.086 1.00 0.00 C ATOM 346 C ASP A 23 58.443 1.147 15.725 1.00 0.00 C ATOM 347 O ASP A 23 59.016 0.304 15.062 1.00 0.00 O ATOM 348 CB ASP A 23 58.878 1.028 18.178 1.00 0.00 C ATOM 349 CG ASP A 23 58.216 0.930 19.554 1.00 0.00 C ATOM 350 OD1 ASP A 23 56.998 0.978 19.610 1.00 0.00 O ATOM 351 OD2 ASP A 23 58.940 0.798 20.527 1.00 0.00 O ATOM 0 H ASP A 23 58.045 -1.262 17.556 1.00 0.00 H new ATOM 0 HA ASP A 23 56.967 1.447 17.267 1.00 0.00 H new ATOM 0 HB2 ASP A 23 59.670 0.285 18.091 1.00 0.00 H new ATOM 0 HB3 ASP A 23 59.344 2.006 18.056 1.00 0.00 H new ATOM 356 N LYS A 24 58.331 2.377 15.307 1.00 0.00 N ATOM 357 CA LYS A 24 58.910 2.779 13.992 1.00 0.00 C ATOM 358 C LYS A 24 60.436 2.872 14.098 1.00 0.00 C ATOM 359 O LYS A 24 60.954 3.404 15.055 1.00 0.00 O ATOM 360 CB LYS A 24 58.360 4.150 13.592 1.00 0.00 C ATOM 361 CG LYS A 24 56.878 4.029 13.235 1.00 0.00 C ATOM 362 CD LYS A 24 56.337 5.405 12.836 1.00 0.00 C ATOM 363 CE LYS A 24 54.854 5.288 12.478 1.00 0.00 C ATOM 364 NZ LYS A 24 54.693 4.340 11.338 1.00 0.00 N ATOM 0 H LYS A 24 57.862 3.124 15.820 1.00 0.00 H new ATOM 0 HA LYS A 24 58.641 2.033 13.244 1.00 0.00 H new ATOM 0 HB2 LYS A 24 58.490 4.857 14.411 1.00 0.00 H new ATOM 0 HB3 LYS A 24 58.918 4.542 12.741 1.00 0.00 H new ATOM 0 HG2 LYS A 24 56.747 3.323 12.415 1.00 0.00 H new ATOM 0 HG3 LYS A 24 56.319 3.639 14.085 1.00 0.00 H new ATOM 0 HD2 LYS A 24 56.469 6.111 13.656 1.00 0.00 H new ATOM 0 HD3 LYS A 24 56.897 5.795 11.986 1.00 0.00 H new ATOM 0 HE2 LYS A 24 54.287 4.937 13.340 1.00 0.00 H new ATOM 0 HE3 LYS A 24 54.455 6.266 12.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 53.985 4.713 10.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 55.603 4.229 10.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 54.378 3.416 11.697 1.00 0.00 H new ATOM 378 N HIS A 25 61.135 2.350 13.107 1.00 0.00 N ATOM 379 CA HIS A 25 62.638 2.369 13.062 1.00 0.00 C ATOM 380 C HIS A 25 63.208 1.076 13.651 1.00 0.00 C ATOM 381 O HIS A 25 64.367 0.767 13.460 1.00 0.00 O ATOM 382 CB HIS A 25 63.190 3.574 13.832 1.00 0.00 C ATOM 383 CG HIS A 25 64.588 3.888 13.367 1.00 0.00 C ATOM 384 ND1 HIS A 25 65.708 3.288 13.930 1.00 0.00 N ATOM 385 CD2 HIS A 25 65.064 4.731 12.395 1.00 0.00 C ATOM 386 CE1 HIS A 25 66.791 3.775 13.296 1.00 0.00 C ATOM 387 NE2 HIS A 25 66.452 4.656 12.353 1.00 0.00 N ATOM 0 H HIS A 25 60.706 1.896 12.300 1.00 0.00 H new ATOM 0 HA HIS A 25 62.942 2.450 12.018 1.00 0.00 H new ATOM 0 HB2 HIS A 25 62.545 4.439 13.680 1.00 0.00 H new ATOM 0 HB3 HIS A 25 63.193 3.362 14.901 1.00 0.00 H new ATOM 0 HD2 HIS A 25 64.454 5.357 11.760 1.00 0.00 H new ATOM 0 HE1 HIS A 25 67.807 3.488 13.522 1.00 0.00 H new ATOM 0 HE2 HIS A 25 67.079 5.167 11.732 1.00 0.00 H new ATOM 396 N LYS A 26 62.410 0.316 14.361 1.00 0.00 N ATOM 397 CA LYS A 26 62.913 -0.966 14.960 1.00 0.00 C ATOM 398 C LYS A 26 62.287 -2.162 14.231 1.00 0.00 C ATOM 399 O LYS A 26 61.088 -2.357 14.257 1.00 0.00 O ATOM 400 CB LYS A 26 62.526 -1.010 16.441 1.00 0.00 C ATOM 401 CG LYS A 26 63.347 0.024 17.214 1.00 0.00 C ATOM 402 CD LYS A 26 62.962 -0.018 18.694 1.00 0.00 C ATOM 403 CE LYS A 26 63.783 1.019 19.464 1.00 0.00 C ATOM 404 NZ LYS A 26 65.207 0.587 19.518 1.00 0.00 N ATOM 0 H LYS A 26 61.431 0.526 14.553 1.00 0.00 H new ATOM 0 HA LYS A 26 63.997 -1.015 14.859 1.00 0.00 H new ATOM 0 HB2 LYS A 26 61.462 -0.805 16.556 1.00 0.00 H new ATOM 0 HB3 LYS A 26 62.704 -2.007 16.845 1.00 0.00 H new ATOM 0 HG2 LYS A 26 64.411 -0.182 17.099 1.00 0.00 H new ATOM 0 HG3 LYS A 26 63.169 1.021 16.810 1.00 0.00 H new ATOM 0 HD2 LYS A 26 61.898 0.186 18.810 1.00 0.00 H new ATOM 0 HD3 LYS A 26 63.142 -1.014 19.099 1.00 0.00 H new ATOM 0 HE2 LYS A 26 63.706 1.992 18.979 1.00 0.00 H new ATOM 0 HE3 LYS A 26 63.388 1.134 20.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 65.553 0.652 20.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 65.284 -0.396 19.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 65.780 1.203 18.907 1.00 0.00 H new ATOM 418 N LEU A 27 63.089 -2.963 13.574 1.00 0.00 N ATOM 419 CA LEU A 27 62.540 -4.145 12.836 1.00 0.00 C ATOM 420 C LEU A 27 62.622 -5.388 13.730 1.00 0.00 C ATOM 421 O LEU A 27 63.684 -5.794 14.159 1.00 0.00 O ATOM 422 CB LEU A 27 63.362 -4.375 11.560 1.00 0.00 C ATOM 423 CG LEU A 27 62.881 -3.446 10.431 1.00 0.00 C ATOM 424 CD1 LEU A 27 61.506 -3.898 9.895 1.00 0.00 C ATOM 425 CD2 LEU A 27 62.785 -2.004 10.950 1.00 0.00 C ATOM 0 H LEU A 27 64.101 -2.850 13.516 1.00 0.00 H new ATOM 0 HA LEU A 27 61.500 -3.958 12.570 1.00 0.00 H new ATOM 0 HB2 LEU A 27 64.417 -4.193 11.763 1.00 0.00 H new ATOM 0 HB3 LEU A 27 63.272 -5.415 11.246 1.00 0.00 H new ATOM 0 HG LEU A 27 63.603 -3.494 9.616 1.00 0.00 H new ATOM 0 HD11 LEU A 27 61.187 -3.226 9.098 1.00 0.00 H new ATOM 0 HD12 LEU A 27 61.583 -4.913 9.505 1.00 0.00 H new ATOM 0 HD13 LEU A 27 60.775 -3.875 10.703 1.00 0.00 H new ATOM 0 HD21 LEU A 27 62.444 -1.350 10.147 1.00 0.00 H new ATOM 0 HD22 LEU A 27 62.077 -1.962 11.778 1.00 0.00 H new ATOM 0 HD23 LEU A 27 63.766 -1.675 11.294 1.00 0.00 H new ATOM 437 N LYS A 28 61.496 -5.988 14.012 1.00 0.00 N ATOM 438 CA LYS A 28 61.472 -7.204 14.877 1.00 0.00 C ATOM 439 C LYS A 28 61.590 -8.455 13.997 1.00 0.00 C ATOM 440 O LYS A 28 61.409 -8.399 12.798 1.00 0.00 O ATOM 441 CB LYS A 28 60.154 -7.222 15.661 1.00 0.00 C ATOM 442 CG LYS A 28 60.190 -8.305 16.744 1.00 0.00 C ATOM 443 CD LYS A 28 58.892 -8.252 17.553 1.00 0.00 C ATOM 444 CE LYS A 28 58.918 -9.329 18.639 1.00 0.00 C ATOM 445 NZ LYS A 28 58.795 -10.675 18.014 1.00 0.00 N ATOM 0 H LYS A 28 60.582 -5.684 13.676 1.00 0.00 H new ATOM 0 HA LYS A 28 62.307 -7.190 15.577 1.00 0.00 H new ATOM 0 HB2 LYS A 28 59.982 -6.248 16.118 1.00 0.00 H new ATOM 0 HB3 LYS A 28 59.322 -7.406 14.981 1.00 0.00 H new ATOM 0 HG2 LYS A 28 60.308 -9.288 16.288 1.00 0.00 H new ATOM 0 HG3 LYS A 28 61.047 -8.152 17.399 1.00 0.00 H new ATOM 0 HD2 LYS A 28 58.774 -7.268 18.006 1.00 0.00 H new ATOM 0 HD3 LYS A 28 58.036 -8.405 16.896 1.00 0.00 H new ATOM 0 HE2 LYS A 28 59.846 -9.264 19.207 1.00 0.00 H new ATOM 0 HE3 LYS A 28 58.102 -9.169 19.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 58.575 -11.379 18.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 58.032 -10.661 17.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 59.692 -10.926 17.550 1.00 0.00 H new ATOM 459 N LYS A 29 61.921 -9.579 14.578 1.00 0.00 N ATOM 460 CA LYS A 29 62.083 -10.824 13.770 1.00 0.00 C ATOM 461 C LYS A 29 60.794 -11.127 12.997 1.00 0.00 C ATOM 462 O LYS A 29 60.828 -11.441 11.823 1.00 0.00 O ATOM 463 CB LYS A 29 62.384 -11.989 14.713 1.00 0.00 C ATOM 464 CG LYS A 29 63.675 -11.700 15.479 1.00 0.00 C ATOM 465 CD LYS A 29 63.982 -12.863 16.425 1.00 0.00 C ATOM 466 CE LYS A 29 65.274 -12.565 17.186 1.00 0.00 C ATOM 467 NZ LYS A 29 65.475 -13.592 18.246 1.00 0.00 N ATOM 0 H LYS A 29 62.086 -9.688 15.579 1.00 0.00 H new ATOM 0 HA LYS A 29 62.899 -10.688 13.061 1.00 0.00 H new ATOM 0 HB2 LYS A 29 61.558 -12.130 15.410 1.00 0.00 H new ATOM 0 HB3 LYS A 29 62.484 -12.914 14.146 1.00 0.00 H new ATOM 0 HG2 LYS A 29 64.500 -11.558 14.781 1.00 0.00 H new ATOM 0 HG3 LYS A 29 63.574 -10.774 16.045 1.00 0.00 H new ATOM 0 HD2 LYS A 29 63.158 -13.005 17.125 1.00 0.00 H new ATOM 0 HD3 LYS A 29 64.084 -13.790 15.860 1.00 0.00 H new ATOM 0 HE2 LYS A 29 66.121 -12.565 16.500 1.00 0.00 H new ATOM 0 HE3 LYS A 29 65.225 -11.572 17.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 66.354 -13.389 18.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 64.672 -13.571 18.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 65.540 -14.534 17.809 1.00 0.00 H new ATOM 481 N SER A 30 59.657 -11.025 13.630 1.00 0.00 N ATOM 482 CA SER A 30 58.380 -11.296 12.908 1.00 0.00 C ATOM 483 C SER A 30 58.254 -10.310 11.749 1.00 0.00 C ATOM 484 O SER A 30 57.830 -10.651 10.663 1.00 0.00 O ATOM 485 CB SER A 30 57.195 -11.120 13.857 1.00 0.00 C ATOM 486 OG SER A 30 55.999 -11.485 13.180 1.00 0.00 O ATOM 0 H SER A 30 59.556 -10.767 14.612 1.00 0.00 H new ATOM 0 HA SER A 30 58.382 -12.319 12.533 1.00 0.00 H new ATOM 0 HB2 SER A 30 57.329 -11.739 14.744 1.00 0.00 H new ATOM 0 HB3 SER A 30 57.135 -10.086 14.196 1.00 0.00 H new ATOM 0 HG SER A 30 55.235 -11.376 13.784 1.00 0.00 H new ATOM 492 N GLU A 31 58.631 -9.089 11.983 1.00 0.00 N ATOM 493 CA GLU A 31 58.554 -8.054 10.916 1.00 0.00 C ATOM 494 C GLU A 31 59.577 -8.382 9.824 1.00 0.00 C ATOM 495 O GLU A 31 59.338 -8.183 8.650 1.00 0.00 O ATOM 496 CB GLU A 31 58.870 -6.686 11.520 1.00 0.00 C ATOM 497 CG GLU A 31 57.738 -6.275 12.462 1.00 0.00 C ATOM 498 CD GLU A 31 58.127 -4.996 13.206 1.00 0.00 C ATOM 499 OE1 GLU A 31 59.173 -4.450 12.898 1.00 0.00 O ATOM 500 OE2 GLU A 31 57.370 -4.582 14.069 1.00 0.00 O ATOM 0 H GLU A 31 58.994 -8.758 12.877 1.00 0.00 H new ATOM 0 HA GLU A 31 57.553 -8.038 10.485 1.00 0.00 H new ATOM 0 HB2 GLU A 31 59.814 -6.725 12.063 1.00 0.00 H new ATOM 0 HB3 GLU A 31 58.987 -5.945 10.729 1.00 0.00 H new ATOM 0 HG2 GLU A 31 56.821 -6.113 11.896 1.00 0.00 H new ATOM 0 HG3 GLU A 31 57.536 -7.075 13.174 1.00 0.00 H new ATOM 507 N LEU A 32 60.713 -8.897 10.213 1.00 0.00 N ATOM 508 CA LEU A 32 61.752 -9.257 9.202 1.00 0.00 C ATOM 509 C LEU A 32 61.289 -10.469 8.387 1.00 0.00 C ATOM 510 O LEU A 32 61.467 -10.527 7.186 1.00 0.00 O ATOM 511 CB LEU A 32 63.079 -9.571 9.908 1.00 0.00 C ATOM 512 CG LEU A 32 64.138 -10.018 8.883 1.00 0.00 C ATOM 513 CD1 LEU A 32 64.330 -8.941 7.805 1.00 0.00 C ATOM 514 CD2 LEU A 32 65.467 -10.252 9.610 1.00 0.00 C ATOM 0 H LEU A 32 60.967 -9.084 11.183 1.00 0.00 H new ATOM 0 HA LEU A 32 61.901 -8.414 8.527 1.00 0.00 H new ATOM 0 HB2 LEU A 32 63.431 -8.689 10.444 1.00 0.00 H new ATOM 0 HB3 LEU A 32 62.927 -10.355 10.650 1.00 0.00 H new ATOM 0 HG LEU A 32 63.804 -10.938 8.403 1.00 0.00 H new ATOM 0 HD11 LEU A 32 65.082 -9.273 7.089 1.00 0.00 H new ATOM 0 HD12 LEU A 32 63.386 -8.772 7.288 1.00 0.00 H new ATOM 0 HD13 LEU A 32 64.659 -8.013 8.272 1.00 0.00 H new ATOM 0 HD21 LEU A 32 66.224 -10.569 8.892 1.00 0.00 H new ATOM 0 HD22 LEU A 32 65.787 -9.327 10.090 1.00 0.00 H new ATOM 0 HD23 LEU A 32 65.337 -11.027 10.366 1.00 0.00 H new ATOM 526 N LYS A 33 60.698 -11.437 9.031 1.00 0.00 N ATOM 527 CA LYS A 33 60.224 -12.647 8.298 1.00 0.00 C ATOM 528 C LYS A 33 59.147 -12.244 7.287 1.00 0.00 C ATOM 529 O LYS A 33 59.097 -12.746 6.183 1.00 0.00 O ATOM 530 CB LYS A 33 59.640 -13.655 9.290 1.00 0.00 C ATOM 531 CG LYS A 33 59.346 -14.967 8.562 1.00 0.00 C ATOM 532 CD LYS A 33 58.762 -15.982 9.546 1.00 0.00 C ATOM 533 CE LYS A 33 58.620 -17.339 8.853 1.00 0.00 C ATOM 534 NZ LYS A 33 59.972 -17.876 8.531 1.00 0.00 N ATOM 0 H LYS A 33 60.522 -11.443 10.036 1.00 0.00 H new ATOM 0 HA LYS A 33 61.064 -13.102 7.773 1.00 0.00 H new ATOM 0 HB2 LYS A 33 60.341 -13.828 10.106 1.00 0.00 H new ATOM 0 HB3 LYS A 33 58.726 -13.259 9.733 1.00 0.00 H new ATOM 0 HG2 LYS A 33 58.645 -14.792 7.746 1.00 0.00 H new ATOM 0 HG3 LYS A 33 60.260 -15.361 8.118 1.00 0.00 H new ATOM 0 HD2 LYS A 33 59.409 -16.073 10.418 1.00 0.00 H new ATOM 0 HD3 LYS A 33 57.791 -15.641 9.904 1.00 0.00 H new ATOM 0 HE2 LYS A 33 58.085 -18.035 9.499 1.00 0.00 H new ATOM 0 HE3 LYS A 33 58.032 -17.234 7.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 60.022 -18.107 7.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 60.693 -17.162 8.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 60.147 -18.735 9.091 1.00 0.00 H new ATOM 548 N GLU A 34 58.281 -11.347 7.668 1.00 0.00 N ATOM 549 CA GLU A 34 57.199 -10.918 6.736 1.00 0.00 C ATOM 550 C GLU A 34 57.812 -10.321 5.469 1.00 0.00 C ATOM 551 O GLU A 34 57.372 -10.586 4.369 1.00 0.00 O ATOM 552 CB GLU A 34 56.324 -9.865 7.421 1.00 0.00 C ATOM 553 CG GLU A 34 55.492 -10.524 8.525 1.00 0.00 C ATOM 554 CD GLU A 34 54.400 -11.388 7.894 1.00 0.00 C ATOM 555 OE1 GLU A 34 54.019 -11.102 6.772 1.00 0.00 O ATOM 556 OE2 GLU A 34 53.960 -12.320 8.547 1.00 0.00 O ATOM 0 H GLU A 34 58.275 -10.893 8.581 1.00 0.00 H new ATOM 0 HA GLU A 34 56.592 -11.783 6.469 1.00 0.00 H new ATOM 0 HB2 GLU A 34 56.949 -9.078 7.844 1.00 0.00 H new ATOM 0 HB3 GLU A 34 55.667 -9.393 6.690 1.00 0.00 H new ATOM 0 HG2 GLU A 34 56.132 -11.135 9.161 1.00 0.00 H new ATOM 0 HG3 GLU A 34 55.044 -9.761 9.162 1.00 0.00 H new ATOM 563 N LEU A 35 58.815 -9.504 5.615 1.00 0.00 N ATOM 564 CA LEU A 35 59.445 -8.875 4.420 1.00 0.00 C ATOM 565 C LEU A 35 59.991 -9.962 3.490 1.00 0.00 C ATOM 566 O LEU A 35 59.861 -9.884 2.286 1.00 0.00 O ATOM 567 CB LEU A 35 60.587 -7.966 4.889 1.00 0.00 C ATOM 568 CG LEU A 35 61.272 -7.290 3.691 1.00 0.00 C ATOM 569 CD1 LEU A 35 60.269 -6.394 2.944 1.00 0.00 C ATOM 570 CD2 LEU A 35 62.436 -6.435 4.205 1.00 0.00 C ATOM 0 H LEU A 35 59.227 -9.243 6.511 1.00 0.00 H new ATOM 0 HA LEU A 35 58.706 -8.288 3.875 1.00 0.00 H new ATOM 0 HB2 LEU A 35 60.198 -7.207 5.568 1.00 0.00 H new ATOM 0 HB3 LEU A 35 61.317 -8.551 5.449 1.00 0.00 H new ATOM 0 HG LEU A 35 61.641 -8.053 3.005 1.00 0.00 H new ATOM 0 HD11 LEU A 35 60.765 -5.920 2.097 1.00 0.00 H new ATOM 0 HD12 LEU A 35 59.437 -7.000 2.585 1.00 0.00 H new ATOM 0 HD13 LEU A 35 59.893 -5.626 3.620 1.00 0.00 H new ATOM 0 HD21 LEU A 35 62.930 -5.950 3.363 1.00 0.00 H new ATOM 0 HD22 LEU A 35 62.056 -5.676 4.889 1.00 0.00 H new ATOM 0 HD23 LEU A 35 63.151 -7.070 4.728 1.00 0.00 H new ATOM 582 N ILE A 36 60.603 -10.973 4.040 1.00 0.00 N ATOM 583 CA ILE A 36 61.161 -12.060 3.186 1.00 0.00 C ATOM 584 C ILE A 36 60.017 -12.834 2.522 1.00 0.00 C ATOM 585 O ILE A 36 60.091 -13.213 1.369 1.00 0.00 O ATOM 586 CB ILE A 36 61.973 -13.009 4.067 1.00 0.00 C ATOM 587 CG1 ILE A 36 63.183 -12.262 4.633 1.00 0.00 C ATOM 588 CG2 ILE A 36 62.450 -14.206 3.239 1.00 0.00 C ATOM 589 CD1 ILE A 36 63.847 -13.106 5.723 1.00 0.00 C ATOM 0 H ILE A 36 60.741 -11.094 5.043 1.00 0.00 H new ATOM 0 HA ILE A 36 61.798 -11.631 2.412 1.00 0.00 H new ATOM 0 HB ILE A 36 61.348 -13.367 4.885 1.00 0.00 H new ATOM 0 HG12 ILE A 36 63.897 -12.051 3.837 1.00 0.00 H new ATOM 0 HG13 ILE A 36 62.870 -11.302 5.043 1.00 0.00 H new ATOM 0 HG21 ILE A 36 63.028 -14.879 3.872 1.00 0.00 H new ATOM 0 HG22 ILE A 36 61.587 -14.737 2.837 1.00 0.00 H new ATOM 0 HG23 ILE A 36 63.074 -13.855 2.418 1.00 0.00 H new ATOM 0 HD11 ILE A 36 64.708 -12.571 6.124 1.00 0.00 H new ATOM 0 HD12 ILE A 36 63.132 -13.294 6.524 1.00 0.00 H new ATOM 0 HD13 ILE A 36 64.175 -14.055 5.299 1.00 0.00 H new ATOM 601 N ASN A 37 58.966 -13.073 3.251 1.00 0.00 N ATOM 602 CA ASN A 37 57.805 -13.828 2.699 1.00 0.00 C ATOM 603 C ASN A 37 56.922 -12.916 1.844 1.00 0.00 C ATOM 604 O ASN A 37 56.120 -13.376 1.056 1.00 0.00 O ATOM 605 CB ASN A 37 56.976 -14.368 3.861 1.00 0.00 C ATOM 606 CG ASN A 37 55.785 -15.159 3.319 1.00 0.00 C ATOM 607 OD1 ASN A 37 54.668 -14.974 3.760 1.00 0.00 O ATOM 608 ND2 ASN A 37 55.976 -16.035 2.373 1.00 0.00 N ATOM 0 H ASN A 37 58.859 -12.774 4.220 1.00 0.00 H new ATOM 0 HA ASN A 37 58.176 -14.642 2.076 1.00 0.00 H new ATOM 0 HB2 ASN A 37 57.592 -15.007 4.494 1.00 0.00 H new ATOM 0 HB3 ASN A 37 56.625 -13.545 4.484 1.00 0.00 H new ATOM 0 HD21 ASN A 37 55.188 -16.566 2.003 1.00 0.00 H new ATOM 0 HD22 ASN A 37 56.914 -16.190 2.003 1.00 0.00 H new ATOM 615 N ASN A 38 57.029 -11.632 2.023 1.00 0.00 N ATOM 616 CA ASN A 38 56.157 -10.698 1.254 1.00 0.00 C ATOM 617 C ASN A 38 56.329 -10.881 -0.259 1.00 0.00 C ATOM 618 O ASN A 38 55.369 -11.124 -0.963 1.00 0.00 O ATOM 619 CB ASN A 38 56.516 -9.260 1.630 1.00 0.00 C ATOM 620 CG ASN A 38 55.587 -8.294 0.895 1.00 0.00 C ATOM 621 OD1 ASN A 38 54.587 -8.699 0.337 1.00 0.00 O ATOM 622 ND2 ASN A 38 55.875 -7.021 0.873 1.00 0.00 N ATOM 0 H ASN A 38 57.682 -11.186 2.668 1.00 0.00 H new ATOM 0 HA ASN A 38 55.119 -10.915 1.505 1.00 0.00 H new ATOM 0 HB2 ASN A 38 56.424 -9.121 2.707 1.00 0.00 H new ATOM 0 HB3 ASN A 38 57.554 -9.053 1.369 1.00 0.00 H new ATOM 0 HD21 ASN A 38 55.261 -6.367 0.388 1.00 0.00 H new ATOM 0 HD22 ASN A 38 56.714 -6.680 1.341 1.00 0.00 H new ATOM 629 N GLU A 39 57.525 -10.751 -0.781 1.00 0.00 N ATOM 630 CA GLU A 39 57.709 -10.908 -2.261 1.00 0.00 C ATOM 631 C GLU A 39 59.058 -11.566 -2.561 1.00 0.00 C ATOM 632 O GLU A 39 59.362 -11.881 -3.695 1.00 0.00 O ATOM 633 CB GLU A 39 57.662 -9.528 -2.928 1.00 0.00 C ATOM 634 CG GLU A 39 56.239 -8.964 -2.860 1.00 0.00 C ATOM 635 CD GLU A 39 56.201 -7.588 -3.528 1.00 0.00 C ATOM 636 OE1 GLU A 39 57.263 -7.062 -3.814 1.00 0.00 O ATOM 637 OE2 GLU A 39 55.110 -7.091 -3.753 1.00 0.00 O ATOM 0 H GLU A 39 58.374 -10.545 -0.254 1.00 0.00 H new ATOM 0 HA GLU A 39 56.910 -11.539 -2.652 1.00 0.00 H new ATOM 0 HB2 GLU A 39 58.355 -8.850 -2.430 1.00 0.00 H new ATOM 0 HB3 GLU A 39 57.983 -9.605 -3.967 1.00 0.00 H new ATOM 0 HG2 GLU A 39 55.544 -9.641 -3.358 1.00 0.00 H new ATOM 0 HG3 GLU A 39 55.917 -8.885 -1.822 1.00 0.00 H new ATOM 644 N LEU A 40 59.876 -11.773 -1.565 1.00 0.00 N ATOM 645 CA LEU A 40 61.207 -12.407 -1.812 1.00 0.00 C ATOM 646 C LEU A 40 61.075 -13.924 -1.669 1.00 0.00 C ATOM 647 O LEU A 40 60.654 -14.425 -0.645 1.00 0.00 O ATOM 648 CB LEU A 40 62.216 -11.885 -0.785 1.00 0.00 C ATOM 649 CG LEU A 40 63.622 -12.428 -1.093 1.00 0.00 C ATOM 650 CD1 LEU A 40 64.134 -11.861 -2.432 1.00 0.00 C ATOM 651 CD2 LEU A 40 64.575 -12.019 0.038 1.00 0.00 C ATOM 0 H LEU A 40 59.683 -11.532 -0.593 1.00 0.00 H new ATOM 0 HA LEU A 40 61.551 -12.162 -2.817 1.00 0.00 H new ATOM 0 HB2 LEU A 40 62.229 -10.795 -0.799 1.00 0.00 H new ATOM 0 HB3 LEU A 40 61.914 -12.187 0.218 1.00 0.00 H new ATOM 0 HG LEU A 40 63.579 -13.515 -1.169 1.00 0.00 H new ATOM 0 HD11 LEU A 40 65.130 -12.254 -2.637 1.00 0.00 H new ATOM 0 HD12 LEU A 40 63.456 -12.154 -3.234 1.00 0.00 H new ATOM 0 HD13 LEU A 40 64.178 -10.773 -2.373 1.00 0.00 H new ATOM 0 HD21 LEU A 40 65.574 -12.400 -0.173 1.00 0.00 H new ATOM 0 HD22 LEU A 40 64.609 -10.932 0.110 1.00 0.00 H new ATOM 0 HD23 LEU A 40 64.220 -12.434 0.981 1.00 0.00 H new ATOM 663 N SER A 41 61.427 -14.660 -2.688 1.00 0.00 N ATOM 664 CA SER A 41 61.314 -16.145 -2.607 1.00 0.00 C ATOM 665 C SER A 41 62.221 -16.801 -3.658 1.00 0.00 C ATOM 666 O SER A 41 62.697 -17.903 -3.472 1.00 0.00 O ATOM 667 CB SER A 41 59.862 -16.552 -2.857 1.00 0.00 C ATOM 668 OG SER A 41 59.795 -17.954 -3.080 1.00 0.00 O ATOM 0 H SER A 41 61.787 -14.299 -3.571 1.00 0.00 H new ATOM 0 HA SER A 41 61.625 -16.477 -1.616 1.00 0.00 H new ATOM 0 HB2 SER A 41 59.244 -16.279 -2.002 1.00 0.00 H new ATOM 0 HB3 SER A 41 59.466 -16.016 -3.720 1.00 0.00 H new ATOM 0 HG SER A 41 58.864 -18.216 -3.239 1.00 0.00 H new ATOM 674 N HIS A 42 62.464 -16.137 -4.756 1.00 0.00 N ATOM 675 CA HIS A 42 63.337 -16.734 -5.811 1.00 0.00 C ATOM 676 C HIS A 42 64.779 -16.803 -5.302 1.00 0.00 C ATOM 677 O HIS A 42 65.570 -17.603 -5.762 1.00 0.00 O ATOM 678 CB HIS A 42 63.298 -15.857 -7.064 1.00 0.00 C ATOM 679 CG HIS A 42 61.932 -15.921 -7.691 1.00 0.00 C ATOM 680 ND1 HIS A 42 61.488 -17.033 -8.394 1.00 0.00 N ATOM 681 CD2 HIS A 42 60.906 -15.010 -7.744 1.00 0.00 C ATOM 682 CE1 HIS A 42 60.246 -16.763 -8.837 1.00 0.00 C ATOM 683 NE2 HIS A 42 59.847 -15.546 -8.467 1.00 0.00 N ATOM 0 H HIS A 42 62.097 -15.209 -4.969 1.00 0.00 H new ATOM 0 HA HIS A 42 62.978 -17.736 -6.048 1.00 0.00 H new ATOM 0 HB2 HIS A 42 63.541 -14.826 -6.805 1.00 0.00 H new ATOM 0 HB3 HIS A 42 64.051 -16.192 -7.777 1.00 0.00 H new ATOM 0 HD2 HIS A 42 60.920 -14.029 -7.293 1.00 0.00 H new ATOM 0 HE1 HIS A 42 59.647 -17.447 -9.420 1.00 0.00 H new ATOM 0 HE2 HIS A 42 58.952 -15.101 -8.672 1.00 0.00 H new ATOM 692 N PHE A 43 65.129 -15.961 -4.363 1.00 0.00 N ATOM 693 CA PHE A 43 66.526 -15.964 -3.827 1.00 0.00 C ATOM 694 C PHE A 43 66.574 -16.735 -2.505 1.00 0.00 C ATOM 695 O PHE A 43 67.627 -17.147 -2.062 1.00 0.00 O ATOM 696 CB PHE A 43 66.983 -14.522 -3.581 1.00 0.00 C ATOM 697 CG PHE A 43 67.199 -13.812 -4.898 1.00 0.00 C ATOM 698 CD1 PHE A 43 66.146 -13.116 -5.505 1.00 0.00 C ATOM 699 CD2 PHE A 43 68.459 -13.844 -5.510 1.00 0.00 C ATOM 700 CE1 PHE A 43 66.354 -12.450 -6.721 1.00 0.00 C ATOM 701 CE2 PHE A 43 68.665 -13.181 -6.727 1.00 0.00 C ATOM 702 CZ PHE A 43 67.613 -12.483 -7.332 1.00 0.00 C ATOM 0 H PHE A 43 64.507 -15.270 -3.943 1.00 0.00 H new ATOM 0 HA PHE A 43 67.184 -16.443 -4.552 1.00 0.00 H new ATOM 0 HB2 PHE A 43 66.235 -13.991 -2.992 1.00 0.00 H new ATOM 0 HB3 PHE A 43 67.906 -14.519 -3.002 1.00 0.00 H new ATOM 0 HD1 PHE A 43 65.173 -13.092 -5.036 1.00 0.00 H new ATOM 0 HD2 PHE A 43 69.272 -14.380 -5.043 1.00 0.00 H new ATOM 0 HE1 PHE A 43 65.542 -11.911 -7.187 1.00 0.00 H new ATOM 0 HE2 PHE A 43 69.636 -13.208 -7.199 1.00 0.00 H new ATOM 0 HZ PHE A 43 67.773 -11.971 -8.269 1.00 0.00 H new ATOM 712 N LEU A 44 65.442 -16.949 -1.881 1.00 0.00 N ATOM 713 CA LEU A 44 65.417 -17.712 -0.590 1.00 0.00 C ATOM 714 C LEU A 44 64.196 -18.634 -0.578 1.00 0.00 C ATOM 715 O LEU A 44 63.073 -18.178 -0.492 1.00 0.00 O ATOM 716 CB LEU A 44 65.301 -16.741 0.591 1.00 0.00 C ATOM 717 CG LEU A 44 66.531 -15.820 0.664 1.00 0.00 C ATOM 718 CD1 LEU A 44 66.281 -14.718 1.703 1.00 0.00 C ATOM 719 CD2 LEU A 44 67.779 -16.628 1.068 1.00 0.00 C ATOM 0 H LEU A 44 64.531 -16.628 -2.209 1.00 0.00 H new ATOM 0 HA LEU A 44 66.336 -18.291 -0.501 1.00 0.00 H new ATOM 0 HB2 LEU A 44 64.397 -16.141 0.487 1.00 0.00 H new ATOM 0 HB3 LEU A 44 65.205 -17.302 1.521 1.00 0.00 H new ATOM 0 HG LEU A 44 66.699 -15.374 -0.317 1.00 0.00 H new ATOM 0 HD11 LEU A 44 67.151 -14.064 1.756 1.00 0.00 H new ATOM 0 HD12 LEU A 44 65.407 -14.135 1.412 1.00 0.00 H new ATOM 0 HD13 LEU A 44 66.107 -15.171 2.679 1.00 0.00 H new ATOM 0 HD21 LEU A 44 68.642 -15.964 1.116 1.00 0.00 H new ATOM 0 HD22 LEU A 44 67.617 -17.084 2.045 1.00 0.00 H new ATOM 0 HD23 LEU A 44 67.962 -17.408 0.329 1.00 0.00 H new ATOM 731 N GLU A 45 64.405 -19.927 -0.653 1.00 0.00 N ATOM 732 CA GLU A 45 63.259 -20.891 -0.637 1.00 0.00 C ATOM 733 C GLU A 45 63.258 -21.660 0.688 1.00 0.00 C ATOM 734 O GLU A 45 62.227 -22.088 1.166 1.00 0.00 O ATOM 735 CB GLU A 45 63.404 -21.880 -1.796 1.00 0.00 C ATOM 736 CG GLU A 45 62.168 -22.784 -1.851 1.00 0.00 C ATOM 737 CD GLU A 45 62.305 -23.775 -3.007 1.00 0.00 C ATOM 738 OE1 GLU A 45 63.219 -23.609 -3.797 1.00 0.00 O ATOM 739 OE2 GLU A 45 61.494 -24.683 -3.081 1.00 0.00 O ATOM 0 H GLU A 45 65.326 -20.358 -0.725 1.00 0.00 H new ATOM 0 HA GLU A 45 62.323 -20.342 -0.743 1.00 0.00 H new ATOM 0 HB2 GLU A 45 63.516 -21.341 -2.737 1.00 0.00 H new ATOM 0 HB3 GLU A 45 64.303 -22.482 -1.665 1.00 0.00 H new ATOM 0 HG2 GLU A 45 62.057 -23.322 -0.910 1.00 0.00 H new ATOM 0 HG3 GLU A 45 61.270 -22.180 -1.981 1.00 0.00 H new ATOM 746 N GLU A 46 64.409 -21.845 1.278 1.00 0.00 N ATOM 747 CA GLU A 46 64.485 -22.592 2.568 1.00 0.00 C ATOM 748 C GLU A 46 63.666 -21.860 3.639 1.00 0.00 C ATOM 749 O GLU A 46 62.521 -21.512 3.427 1.00 0.00 O ATOM 750 CB GLU A 46 65.952 -22.682 3.005 1.00 0.00 C ATOM 751 CG GLU A 46 66.726 -23.571 2.031 1.00 0.00 C ATOM 752 CD GLU A 46 66.282 -25.026 2.200 1.00 0.00 C ATOM 753 OE1 GLU A 46 65.758 -25.347 3.253 1.00 0.00 O ATOM 754 OE2 GLU A 46 66.477 -25.795 1.273 1.00 0.00 O ATOM 0 H GLU A 46 65.304 -21.510 0.921 1.00 0.00 H new ATOM 0 HA GLU A 46 64.079 -23.595 2.438 1.00 0.00 H new ATOM 0 HB2 GLU A 46 66.395 -21.686 3.034 1.00 0.00 H new ATOM 0 HB3 GLU A 46 66.017 -23.089 4.014 1.00 0.00 H new ATOM 0 HG2 GLU A 46 66.551 -23.243 1.006 1.00 0.00 H new ATOM 0 HG3 GLU A 46 67.797 -23.483 2.215 1.00 0.00 H new ATOM 761 N ILE A 47 64.242 -21.619 4.785 1.00 0.00 N ATOM 762 CA ILE A 47 63.499 -20.912 5.867 1.00 0.00 C ATOM 763 C ILE A 47 62.128 -21.571 6.053 1.00 0.00 C ATOM 764 O ILE A 47 61.100 -20.959 5.839 1.00 0.00 O ATOM 765 CB ILE A 47 63.310 -19.439 5.479 1.00 0.00 C ATOM 766 CG1 ILE A 47 64.660 -18.835 5.073 1.00 0.00 C ATOM 767 CG2 ILE A 47 62.758 -18.657 6.676 1.00 0.00 C ATOM 768 CD1 ILE A 47 64.441 -17.436 4.495 1.00 0.00 C ATOM 0 H ILE A 47 65.199 -21.882 5.019 1.00 0.00 H new ATOM 0 HA ILE A 47 64.063 -20.972 6.798 1.00 0.00 H new ATOM 0 HB ILE A 47 62.612 -19.379 4.644 1.00 0.00 H new ATOM 0 HG12 ILE A 47 65.322 -18.783 5.938 1.00 0.00 H new ATOM 0 HG13 ILE A 47 65.148 -19.472 4.336 1.00 0.00 H new ATOM 0 HG21 ILE A 47 62.625 -17.612 6.398 1.00 0.00 H new ATOM 0 HG22 ILE A 47 61.798 -19.078 6.974 1.00 0.00 H new ATOM 0 HG23 ILE A 47 63.458 -18.724 7.509 1.00 0.00 H new ATOM 0 HD11 ILE A 47 65.401 -17.007 4.207 1.00 0.00 H new ATOM 0 HD12 ILE A 47 63.795 -17.501 3.620 1.00 0.00 H new ATOM 0 HD13 ILE A 47 63.971 -16.801 5.246 1.00 0.00 H new ATOM 780 N LYS A 48 62.106 -22.818 6.458 1.00 0.00 N ATOM 781 CA LYS A 48 60.806 -23.528 6.674 1.00 0.00 C ATOM 782 C LYS A 48 60.525 -23.616 8.177 1.00 0.00 C ATOM 783 O LYS A 48 59.415 -23.875 8.596 1.00 0.00 O ATOM 784 CB LYS A 48 60.890 -24.939 6.087 1.00 0.00 C ATOM 785 CG LYS A 48 62.004 -25.724 6.782 1.00 0.00 C ATOM 786 CD LYS A 48 62.251 -27.037 6.030 1.00 0.00 C ATOM 787 CE LYS A 48 60.956 -27.858 5.969 1.00 0.00 C ATOM 788 NZ LYS A 48 61.287 -29.291 5.725 1.00 0.00 N ATOM 0 H LYS A 48 62.937 -23.377 6.649 1.00 0.00 H new ATOM 0 HA LYS A 48 60.003 -22.980 6.182 1.00 0.00 H new ATOM 0 HB2 LYS A 48 59.937 -25.453 6.214 1.00 0.00 H new ATOM 0 HB3 LYS A 48 61.084 -24.886 5.016 1.00 0.00 H new ATOM 0 HG2 LYS A 48 62.918 -25.131 6.810 1.00 0.00 H new ATOM 0 HG3 LYS A 48 61.727 -25.931 7.816 1.00 0.00 H new ATOM 0 HD2 LYS A 48 62.606 -26.827 5.021 1.00 0.00 H new ATOM 0 HD3 LYS A 48 63.032 -27.611 6.530 1.00 0.00 H new ATOM 0 HE2 LYS A 48 60.403 -27.755 6.903 1.00 0.00 H new ATOM 0 HE3 LYS A 48 60.312 -27.482 5.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 60.410 -29.848 5.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 61.797 -29.381 4.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 61.886 -29.645 6.498 1.00 0.00 H new ATOM 802 N GLU A 49 61.534 -23.398 8.986 1.00 0.00 N ATOM 803 CA GLU A 49 61.361 -23.459 10.473 1.00 0.00 C ATOM 804 C GLU A 49 61.800 -22.125 11.080 1.00 0.00 C ATOM 805 O GLU A 49 62.724 -21.494 10.609 1.00 0.00 O ATOM 806 CB GLU A 49 62.227 -24.588 11.039 1.00 0.00 C ATOM 807 CG GLU A 49 61.877 -24.809 12.512 1.00 0.00 C ATOM 808 CD GLU A 49 62.740 -25.938 13.081 1.00 0.00 C ATOM 809 OE1 GLU A 49 63.443 -26.566 12.308 1.00 0.00 O ATOM 810 OE2 GLU A 49 62.684 -26.152 14.281 1.00 0.00 O ATOM 0 H GLU A 49 62.481 -23.178 8.676 1.00 0.00 H new ATOM 0 HA GLU A 49 60.316 -23.648 10.717 1.00 0.00 H new ATOM 0 HB2 GLU A 49 62.063 -25.505 10.473 1.00 0.00 H new ATOM 0 HB3 GLU A 49 63.283 -24.336 10.939 1.00 0.00 H new ATOM 0 HG2 GLU A 49 62.042 -23.892 13.077 1.00 0.00 H new ATOM 0 HG3 GLU A 49 60.821 -25.059 12.612 1.00 0.00 H new ATOM 817 N GLN A 50 61.148 -21.687 12.121 1.00 0.00 N ATOM 818 CA GLN A 50 61.537 -20.392 12.749 1.00 0.00 C ATOM 819 C GLN A 50 62.990 -20.479 13.223 1.00 0.00 C ATOM 820 O GLN A 50 63.731 -19.519 13.176 1.00 0.00 O ATOM 821 CB GLN A 50 60.615 -20.107 13.939 1.00 0.00 C ATOM 822 CG GLN A 50 60.757 -21.219 14.982 1.00 0.00 C ATOM 823 CD GLN A 50 59.753 -20.987 16.112 1.00 0.00 C ATOM 824 OE1 GLN A 50 58.583 -20.774 15.869 1.00 0.00 O ATOM 825 NE2 GLN A 50 60.167 -21.017 17.350 1.00 0.00 N ATOM 0 H GLN A 50 60.365 -22.168 12.563 1.00 0.00 H new ATOM 0 HA GLN A 50 61.443 -19.585 12.023 1.00 0.00 H new ATOM 0 HB2 GLN A 50 60.867 -19.144 14.384 1.00 0.00 H new ATOM 0 HB3 GLN A 50 59.580 -20.042 13.602 1.00 0.00 H new ATOM 0 HG2 GLN A 50 60.583 -22.191 14.520 1.00 0.00 H new ATOM 0 HG3 GLN A 50 61.772 -21.232 15.379 1.00 0.00 H new ATOM 0 HE21 GLN A 50 61.150 -21.196 17.555 1.00 0.00 H new ATOM 0 HE22 GLN A 50 59.507 -20.862 18.112 1.00 0.00 H new ATOM 834 N GLU A 51 63.395 -21.627 13.684 1.00 0.00 N ATOM 835 CA GLU A 51 64.793 -21.788 14.169 1.00 0.00 C ATOM 836 C GLU A 51 65.758 -21.349 13.065 1.00 0.00 C ATOM 837 O GLU A 51 66.830 -20.844 13.328 1.00 0.00 O ATOM 838 CB GLU A 51 65.031 -23.258 14.528 1.00 0.00 C ATOM 839 CG GLU A 51 66.455 -23.448 15.052 1.00 0.00 C ATOM 840 CD GLU A 51 66.655 -24.914 15.439 1.00 0.00 C ATOM 841 OE1 GLU A 51 65.676 -25.643 15.440 1.00 0.00 O ATOM 842 OE2 GLU A 51 67.781 -25.284 15.729 1.00 0.00 O ATOM 0 H GLU A 51 62.816 -22.465 13.746 1.00 0.00 H new ATOM 0 HA GLU A 51 64.960 -21.173 15.054 1.00 0.00 H new ATOM 0 HB2 GLU A 51 64.312 -23.577 15.283 1.00 0.00 H new ATOM 0 HB3 GLU A 51 64.871 -23.885 13.651 1.00 0.00 H new ATOM 0 HG2 GLU A 51 67.178 -23.159 14.289 1.00 0.00 H new ATOM 0 HG3 GLU A 51 66.627 -22.805 15.915 1.00 0.00 H new ATOM 849 N VAL A 52 65.371 -21.508 11.829 1.00 0.00 N ATOM 850 CA VAL A 52 66.251 -21.067 10.710 1.00 0.00 C ATOM 851 C VAL A 52 66.309 -19.535 10.704 1.00 0.00 C ATOM 852 O VAL A 52 67.317 -18.940 10.378 1.00 0.00 O ATOM 853 CB VAL A 52 65.689 -21.562 9.372 1.00 0.00 C ATOM 854 CG1 VAL A 52 66.479 -20.935 8.218 1.00 0.00 C ATOM 855 CG2 VAL A 52 65.806 -23.087 9.301 1.00 0.00 C ATOM 0 H VAL A 52 64.484 -21.924 11.546 1.00 0.00 H new ATOM 0 HA VAL A 52 67.250 -21.481 10.847 1.00 0.00 H new ATOM 0 HB VAL A 52 64.641 -21.273 9.292 1.00 0.00 H new ATOM 0 HG11 VAL A 52 66.078 -21.288 7.268 1.00 0.00 H new ATOM 0 HG12 VAL A 52 66.394 -19.849 8.266 1.00 0.00 H new ATOM 0 HG13 VAL A 52 67.528 -21.221 8.298 1.00 0.00 H new ATOM 0 HG21 VAL A 52 65.406 -23.439 8.350 1.00 0.00 H new ATOM 0 HG22 VAL A 52 66.854 -23.376 9.383 1.00 0.00 H new ATOM 0 HG23 VAL A 52 65.241 -23.534 10.119 1.00 0.00 H new ATOM 865 N VAL A 53 65.230 -18.895 11.073 1.00 0.00 N ATOM 866 CA VAL A 53 65.222 -17.403 11.099 1.00 0.00 C ATOM 867 C VAL A 53 66.169 -16.922 12.203 1.00 0.00 C ATOM 868 O VAL A 53 66.915 -15.979 12.034 1.00 0.00 O ATOM 869 CB VAL A 53 63.801 -16.891 11.383 1.00 0.00 C ATOM 870 CG1 VAL A 53 63.832 -15.380 11.643 1.00 0.00 C ATOM 871 CG2 VAL A 53 62.899 -17.177 10.178 1.00 0.00 C ATOM 0 H VAL A 53 64.357 -19.340 11.357 1.00 0.00 H new ATOM 0 HA VAL A 53 65.550 -17.019 10.133 1.00 0.00 H new ATOM 0 HB VAL A 53 63.410 -17.402 12.263 1.00 0.00 H new ATOM 0 HG11 VAL A 53 62.821 -15.024 11.843 1.00 0.00 H new ATOM 0 HG12 VAL A 53 64.467 -15.172 12.504 1.00 0.00 H new ATOM 0 HG13 VAL A 53 64.230 -14.868 10.767 1.00 0.00 H new ATOM 0 HG21 VAL A 53 61.892 -16.813 10.383 1.00 0.00 H new ATOM 0 HG22 VAL A 53 63.296 -16.671 9.298 1.00 0.00 H new ATOM 0 HG23 VAL A 53 62.866 -18.251 9.995 1.00 0.00 H new ATOM 881 N ASP A 54 66.130 -17.562 13.340 1.00 0.00 N ATOM 882 CA ASP A 54 67.013 -17.148 14.469 1.00 0.00 C ATOM 883 C ASP A 54 68.481 -17.255 14.052 1.00 0.00 C ATOM 884 O ASP A 54 69.281 -16.388 14.343 1.00 0.00 O ATOM 885 CB ASP A 54 66.754 -18.056 15.676 1.00 0.00 C ATOM 886 CG ASP A 54 67.650 -17.645 16.850 1.00 0.00 C ATOM 887 OD1 ASP A 54 68.647 -16.982 16.615 1.00 0.00 O ATOM 888 OD2 ASP A 54 67.322 -18.002 17.970 1.00 0.00 O ATOM 0 H ASP A 54 65.522 -18.357 13.537 1.00 0.00 H new ATOM 0 HA ASP A 54 66.794 -16.114 14.735 1.00 0.00 H new ATOM 0 HB2 ASP A 54 65.706 -17.993 15.969 1.00 0.00 H new ATOM 0 HB3 ASP A 54 66.948 -19.094 15.407 1.00 0.00 H new ATOM 893 N LYS A 55 68.844 -18.307 13.376 1.00 0.00 N ATOM 894 CA LYS A 55 70.263 -18.449 12.950 1.00 0.00 C ATOM 895 C LYS A 55 70.619 -17.278 12.042 1.00 0.00 C ATOM 896 O LYS A 55 71.674 -16.685 12.153 1.00 0.00 O ATOM 897 CB LYS A 55 70.452 -19.773 12.207 1.00 0.00 C ATOM 898 CG LYS A 55 71.926 -19.942 11.834 1.00 0.00 C ATOM 899 CD LYS A 55 72.126 -21.293 11.143 1.00 0.00 C ATOM 900 CE LYS A 55 73.601 -21.472 10.783 1.00 0.00 C ATOM 901 NZ LYS A 55 74.428 -21.407 12.021 1.00 0.00 N ATOM 0 H LYS A 55 68.225 -19.070 13.101 1.00 0.00 H new ATOM 0 HA LYS A 55 70.917 -18.447 13.822 1.00 0.00 H new ATOM 0 HB2 LYS A 55 70.127 -20.604 12.833 1.00 0.00 H new ATOM 0 HB3 LYS A 55 69.834 -19.790 11.309 1.00 0.00 H new ATOM 0 HG2 LYS A 55 72.240 -19.134 11.174 1.00 0.00 H new ATOM 0 HG3 LYS A 55 72.547 -19.883 12.728 1.00 0.00 H new ATOM 0 HD2 LYS A 55 71.801 -22.100 11.799 1.00 0.00 H new ATOM 0 HD3 LYS A 55 71.513 -21.347 10.244 1.00 0.00 H new ATOM 0 HE2 LYS A 55 73.750 -22.429 10.283 1.00 0.00 H new ATOM 0 HE3 LYS A 55 73.912 -20.696 10.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 75.338 -21.882 11.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 74.597 -20.412 12.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 73.926 -21.881 12.799 1.00 0.00 H new ATOM 915 N VAL A 56 69.736 -16.933 11.151 1.00 0.00 N ATOM 916 CA VAL A 56 70.003 -15.791 10.238 1.00 0.00 C ATOM 917 C VAL A 56 70.179 -14.518 11.067 1.00 0.00 C ATOM 918 O VAL A 56 71.024 -13.694 10.784 1.00 0.00 O ATOM 919 CB VAL A 56 68.830 -15.631 9.264 1.00 0.00 C ATOM 920 CG1 VAL A 56 68.971 -14.316 8.486 1.00 0.00 C ATOM 921 CG2 VAL A 56 68.832 -16.808 8.283 1.00 0.00 C ATOM 0 H VAL A 56 68.837 -17.395 11.015 1.00 0.00 H new ATOM 0 HA VAL A 56 70.913 -15.976 9.667 1.00 0.00 H new ATOM 0 HB VAL A 56 67.894 -15.614 9.822 1.00 0.00 H new ATOM 0 HG11 VAL A 56 68.134 -14.210 7.796 1.00 0.00 H new ATOM 0 HG12 VAL A 56 68.974 -13.479 9.184 1.00 0.00 H new ATOM 0 HG13 VAL A 56 69.905 -14.324 7.924 1.00 0.00 H new ATOM 0 HG21 VAL A 56 68.001 -16.702 7.586 1.00 0.00 H new ATOM 0 HG22 VAL A 56 69.771 -16.818 7.729 1.00 0.00 H new ATOM 0 HG23 VAL A 56 68.726 -17.742 8.835 1.00 0.00 H new ATOM 931 N MET A 57 69.385 -14.351 12.089 1.00 0.00 N ATOM 932 CA MET A 57 69.509 -13.127 12.931 1.00 0.00 C ATOM 933 C MET A 57 70.864 -13.124 13.643 1.00 0.00 C ATOM 934 O MET A 57 71.515 -12.105 13.751 1.00 0.00 O ATOM 935 CB MET A 57 68.387 -13.107 13.974 1.00 0.00 C ATOM 936 CG MET A 57 67.042 -12.875 13.278 1.00 0.00 C ATOM 937 SD MET A 57 66.982 -11.198 12.585 1.00 0.00 S ATOM 938 CE MET A 57 66.888 -10.262 14.138 1.00 0.00 C ATOM 0 H MET A 57 68.658 -15.006 12.377 1.00 0.00 H new ATOM 0 HA MET A 57 69.433 -12.245 12.295 1.00 0.00 H new ATOM 0 HB2 MET A 57 68.367 -14.050 14.520 1.00 0.00 H new ATOM 0 HB3 MET A 57 68.570 -12.319 14.705 1.00 0.00 H new ATOM 0 HG2 MET A 57 66.902 -13.610 12.485 1.00 0.00 H new ATOM 0 HG3 MET A 57 66.227 -13.013 13.989 1.00 0.00 H new ATOM 0 HE1 MET A 57 66.055 -9.560 14.090 1.00 0.00 H new ATOM 0 HE2 MET A 57 66.735 -10.950 14.969 1.00 0.00 H new ATOM 0 HE3 MET A 57 67.817 -9.713 14.289 1.00 0.00 H new ATOM 948 N GLU A 58 71.296 -14.256 14.127 1.00 0.00 N ATOM 949 CA GLU A 58 72.611 -14.308 14.827 1.00 0.00 C ATOM 950 C GLU A 58 73.718 -13.892 13.864 1.00 0.00 C ATOM 951 O GLU A 58 74.563 -13.079 14.179 1.00 0.00 O ATOM 952 CB GLU A 58 72.885 -15.730 15.323 1.00 0.00 C ATOM 953 CG GLU A 58 71.937 -16.072 16.474 1.00 0.00 C ATOM 954 CD GLU A 58 72.309 -15.241 17.703 1.00 0.00 C ATOM 955 OE1 GLU A 58 73.448 -15.333 18.133 1.00 0.00 O ATOM 956 OE2 GLU A 58 71.451 -14.526 18.193 1.00 0.00 O ATOM 0 H GLU A 58 70.798 -15.144 14.069 1.00 0.00 H new ATOM 0 HA GLU A 58 72.586 -13.627 15.678 1.00 0.00 H new ATOM 0 HB2 GLU A 58 72.752 -16.441 14.507 1.00 0.00 H new ATOM 0 HB3 GLU A 58 73.920 -15.816 15.655 1.00 0.00 H new ATOM 0 HG2 GLU A 58 70.906 -15.870 16.183 1.00 0.00 H new ATOM 0 HG3 GLU A 58 71.999 -17.135 16.708 1.00 0.00 H new ATOM 963 N THR A 59 73.720 -14.447 12.686 1.00 0.00 N ATOM 964 CA THR A 59 74.771 -14.088 11.695 1.00 0.00 C ATOM 965 C THR A 59 74.559 -12.649 11.235 1.00 0.00 C ATOM 966 O THR A 59 75.493 -11.888 11.076 1.00 0.00 O ATOM 967 CB THR A 59 74.674 -15.027 10.490 1.00 0.00 C ATOM 968 OG1 THR A 59 74.862 -16.367 10.921 1.00 0.00 O ATOM 969 CG2 THR A 59 75.745 -14.663 9.462 1.00 0.00 C ATOM 0 H THR A 59 73.038 -15.135 12.366 1.00 0.00 H new ATOM 0 HA THR A 59 75.755 -14.184 12.153 1.00 0.00 H new ATOM 0 HB THR A 59 73.690 -14.926 10.031 1.00 0.00 H new ATOM 0 HG1 THR A 59 74.799 -16.970 10.151 1.00 0.00 H new ATOM 0 HG21 THR A 59 75.671 -15.334 8.607 1.00 0.00 H new ATOM 0 HG22 THR A 59 75.597 -13.635 9.130 1.00 0.00 H new ATOM 0 HG23 THR A 59 76.732 -14.759 9.915 1.00 0.00 H new ATOM 977 N LEU A 60 73.331 -12.269 11.034 1.00 0.00 N ATOM 978 CA LEU A 60 73.039 -10.878 10.599 1.00 0.00 C ATOM 979 C LEU A 60 73.274 -9.908 11.756 1.00 0.00 C ATOM 980 O LEU A 60 73.771 -8.815 11.573 1.00 0.00 O ATOM 981 CB LEU A 60 71.582 -10.795 10.127 1.00 0.00 C ATOM 982 CG LEU A 60 71.242 -9.367 9.674 1.00 0.00 C ATOM 983 CD1 LEU A 60 72.157 -8.946 8.512 1.00 0.00 C ATOM 984 CD2 LEU A 60 69.779 -9.334 9.214 1.00 0.00 C ATOM 0 H LEU A 60 72.512 -12.866 11.153 1.00 0.00 H new ATOM 0 HA LEU A 60 73.702 -10.605 9.778 1.00 0.00 H new ATOM 0 HB2 LEU A 60 71.420 -11.492 9.304 1.00 0.00 H new ATOM 0 HB3 LEU A 60 70.915 -11.095 10.935 1.00 0.00 H new ATOM 0 HG LEU A 60 71.392 -8.676 10.503 1.00 0.00 H new ATOM 0 HD11 LEU A 60 71.906 -7.932 8.200 1.00 0.00 H new ATOM 0 HD12 LEU A 60 73.197 -8.979 8.837 1.00 0.00 H new ATOM 0 HD13 LEU A 60 72.018 -9.628 7.674 1.00 0.00 H new ATOM 0 HD21 LEU A 60 69.522 -8.326 8.889 1.00 0.00 H new ATOM 0 HD22 LEU A 60 69.643 -10.028 8.385 1.00 0.00 H new ATOM 0 HD23 LEU A 60 69.131 -9.625 10.041 1.00 0.00 H new ATOM 996 N ASP A 61 72.891 -10.288 12.944 1.00 0.00 N ATOM 997 CA ASP A 61 73.059 -9.378 14.112 1.00 0.00 C ATOM 998 C ASP A 61 74.494 -9.431 14.638 1.00 0.00 C ATOM 999 O ASP A 61 74.724 -9.656 15.811 1.00 0.00 O ATOM 1000 CB ASP A 61 72.099 -9.804 15.223 1.00 0.00 C ATOM 1001 CG ASP A 61 72.027 -8.706 16.287 1.00 0.00 C ATOM 1002 OD1 ASP A 61 72.505 -7.616 16.020 1.00 0.00 O ATOM 1003 OD2 ASP A 61 71.502 -8.977 17.355 1.00 0.00 O ATOM 0 H ASP A 61 72.468 -11.192 13.157 1.00 0.00 H new ATOM 0 HA ASP A 61 72.841 -8.358 13.795 1.00 0.00 H new ATOM 0 HB2 ASP A 61 71.108 -9.990 14.810 1.00 0.00 H new ATOM 0 HB3 ASP A 61 72.437 -10.738 15.672 1.00 0.00 H new ATOM 1008 N GLU A 62 75.462 -9.197 13.799 1.00 0.00 N ATOM 1009 CA GLU A 62 76.872 -9.202 14.277 1.00 0.00 C ATOM 1010 C GLU A 62 77.002 -8.119 15.345 1.00 0.00 C ATOM 1011 O GLU A 62 77.683 -8.274 16.341 1.00 0.00 O ATOM 1012 CB GLU A 62 77.813 -8.901 13.107 1.00 0.00 C ATOM 1013 CG GLU A 62 79.263 -8.908 13.599 1.00 0.00 C ATOM 1014 CD GLU A 62 80.203 -8.672 12.416 1.00 0.00 C ATOM 1015 OE1 GLU A 62 79.711 -8.576 11.304 1.00 0.00 O ATOM 1016 OE2 GLU A 62 81.399 -8.590 12.643 1.00 0.00 O ATOM 0 H GLU A 62 75.339 -9.003 12.805 1.00 0.00 H new ATOM 0 HA GLU A 62 77.137 -10.175 14.690 1.00 0.00 H new ATOM 0 HB2 GLU A 62 77.682 -9.645 12.321 1.00 0.00 H new ATOM 0 HB3 GLU A 62 77.571 -7.931 12.672 1.00 0.00 H new ATOM 0 HG2 GLU A 62 79.407 -8.133 14.352 1.00 0.00 H new ATOM 0 HG3 GLU A 62 79.492 -9.861 14.075 1.00 0.00 H new ATOM 1023 N ASP A 63 76.348 -7.018 15.120 1.00 0.00 N ATOM 1024 CA ASP A 63 76.399 -5.880 16.076 1.00 0.00 C ATOM 1025 C ASP A 63 75.881 -6.299 17.454 1.00 0.00 C ATOM 1026 O ASP A 63 76.349 -5.819 18.466 1.00 0.00 O ATOM 1027 CB ASP A 63 75.507 -4.762 15.536 1.00 0.00 C ATOM 1028 CG ASP A 63 74.189 -5.369 15.056 1.00 0.00 C ATOM 1029 OD1 ASP A 63 74.215 -6.086 14.069 1.00 0.00 O ATOM 1030 OD2 ASP A 63 73.177 -5.111 15.684 1.00 0.00 O ATOM 0 H ASP A 63 75.768 -6.855 14.297 1.00 0.00 H new ATOM 0 HA ASP A 63 77.432 -5.548 16.179 1.00 0.00 H new ATOM 0 HB2 ASP A 63 75.320 -4.021 16.313 1.00 0.00 H new ATOM 0 HB3 ASP A 63 76.005 -4.245 14.716 1.00 0.00 H new ATOM 1035 N GLY A 64 74.907 -7.167 17.514 1.00 0.00 N ATOM 1036 CA GLY A 64 74.364 -7.574 18.838 1.00 0.00 C ATOM 1037 C GLY A 64 73.263 -6.588 19.216 1.00 0.00 C ATOM 1038 O GLY A 64 73.499 -5.604 19.886 1.00 0.00 O ATOM 0 H GLY A 64 74.467 -7.609 16.707 1.00 0.00 H new ATOM 0 HA2 GLY A 64 73.968 -8.589 18.793 1.00 0.00 H new ATOM 0 HA3 GLY A 64 75.152 -7.573 19.591 1.00 0.00 H new ATOM 1042 N ASP A 65 72.057 -6.856 18.798 1.00 0.00 N ATOM 1043 CA ASP A 65 70.918 -5.943 19.135 1.00 0.00 C ATOM 1044 C ASP A 65 69.613 -6.735 19.300 1.00 0.00 C ATOM 1045 O ASP A 65 68.738 -6.343 20.047 1.00 0.00 O ATOM 1046 CB ASP A 65 70.731 -4.913 18.016 1.00 0.00 C ATOM 1047 CG ASP A 65 71.885 -3.908 18.030 1.00 0.00 C ATOM 1048 OD1 ASP A 65 72.428 -3.669 19.095 1.00 0.00 O ATOM 1049 OD2 ASP A 65 72.199 -3.385 16.972 1.00 0.00 O ATOM 0 H ASP A 65 71.806 -7.669 18.236 1.00 0.00 H new ATOM 0 HA ASP A 65 71.152 -5.441 20.074 1.00 0.00 H new ATOM 0 HB2 ASP A 65 70.689 -5.417 17.050 1.00 0.00 H new ATOM 0 HB3 ASP A 65 69.783 -4.392 18.145 1.00 0.00 H new ATOM 1054 N GLY A 66 69.461 -7.833 18.606 1.00 0.00 N ATOM 1055 CA GLY A 66 68.195 -8.627 18.723 1.00 0.00 C ATOM 1056 C GLY A 66 67.181 -8.097 17.703 1.00 0.00 C ATOM 1057 O GLY A 66 66.176 -8.716 17.420 1.00 0.00 O ATOM 0 H GLY A 66 70.155 -8.216 17.964 1.00 0.00 H new ATOM 0 HA2 GLY A 66 68.394 -9.683 18.542 1.00 0.00 H new ATOM 0 HA3 GLY A 66 67.792 -8.547 19.732 1.00 0.00 H new ATOM 1061 N GLU A 67 67.456 -6.945 17.152 1.00 0.00 N ATOM 1062 CA GLU A 67 66.550 -6.324 16.145 1.00 0.00 C ATOM 1063 C GLU A 67 67.412 -5.755 15.019 1.00 0.00 C ATOM 1064 O GLU A 67 68.591 -5.530 15.203 1.00 0.00 O ATOM 1065 CB GLU A 67 65.745 -5.209 16.821 1.00 0.00 C ATOM 1066 CG GLU A 67 66.667 -4.049 17.212 1.00 0.00 C ATOM 1067 CD GLU A 67 65.867 -3.018 18.012 1.00 0.00 C ATOM 1068 OE1 GLU A 67 64.650 -3.063 17.947 1.00 0.00 O ATOM 1069 OE2 GLU A 67 66.486 -2.202 18.674 1.00 0.00 O ATOM 0 H GLU A 67 68.290 -6.397 17.363 1.00 0.00 H new ATOM 0 HA GLU A 67 65.855 -7.058 15.737 1.00 0.00 H new ATOM 0 HB2 GLU A 67 64.967 -4.852 16.146 1.00 0.00 H new ATOM 0 HB3 GLU A 67 65.244 -5.599 17.707 1.00 0.00 H new ATOM 0 HG2 GLU A 67 67.504 -4.418 17.805 1.00 0.00 H new ATOM 0 HG3 GLU A 67 67.089 -3.587 16.319 1.00 0.00 H new ATOM 1076 N CYS A 68 66.855 -5.510 13.855 1.00 0.00 N ATOM 1077 CA CYS A 68 67.683 -4.946 12.736 1.00 0.00 C ATOM 1078 C CYS A 68 67.430 -3.439 12.624 1.00 0.00 C ATOM 1079 O CYS A 68 66.379 -3.002 12.199 1.00 0.00 O ATOM 1080 CB CYS A 68 67.292 -5.629 11.424 1.00 0.00 C ATOM 1081 SG CYS A 68 68.473 -5.169 10.132 1.00 0.00 S ATOM 0 H CYS A 68 65.873 -5.674 13.631 1.00 0.00 H new ATOM 0 HA CYS A 68 68.740 -5.122 12.938 1.00 0.00 H new ATOM 0 HB2 CYS A 68 67.281 -6.711 11.554 1.00 0.00 H new ATOM 0 HB3 CYS A 68 66.284 -5.333 11.133 1.00 0.00 H new ATOM 0 HG CYS A 68 68.144 -5.750 9.017 1.00 0.00 H new ATOM 1087 N ASP A 69 68.382 -2.644 13.030 1.00 0.00 N ATOM 1088 CA ASP A 69 68.208 -1.162 12.981 1.00 0.00 C ATOM 1089 C ASP A 69 68.149 -0.660 11.532 1.00 0.00 C ATOM 1090 O ASP A 69 68.365 -1.395 10.592 1.00 0.00 O ATOM 1091 CB ASP A 69 69.374 -0.495 13.715 1.00 0.00 C ATOM 1092 CG ASP A 69 69.209 -0.688 15.228 1.00 0.00 C ATOM 1093 OD1 ASP A 69 68.080 -0.828 15.670 1.00 0.00 O ATOM 1094 OD2 ASP A 69 70.214 -0.687 15.918 1.00 0.00 O ATOM 0 H ASP A 69 69.280 -2.959 13.397 1.00 0.00 H new ATOM 0 HA ASP A 69 67.266 -0.904 13.465 1.00 0.00 H new ATOM 0 HB2 ASP A 69 70.319 -0.926 13.384 1.00 0.00 H new ATOM 0 HB3 ASP A 69 69.407 0.568 13.475 1.00 0.00 H new ATOM 1099 N PHE A 70 67.857 0.604 11.367 1.00 0.00 N ATOM 1100 CA PHE A 70 67.776 1.186 9.993 1.00 0.00 C ATOM 1101 C PHE A 70 69.125 1.029 9.297 1.00 0.00 C ATOM 1102 O PHE A 70 69.208 0.573 8.173 1.00 0.00 O ATOM 1103 CB PHE A 70 67.423 2.671 10.079 1.00 0.00 C ATOM 1104 CG PHE A 70 67.346 3.244 8.685 1.00 0.00 C ATOM 1105 CD1 PHE A 70 66.131 3.230 7.992 1.00 0.00 C ATOM 1106 CD2 PHE A 70 68.486 3.794 8.088 1.00 0.00 C ATOM 1107 CE1 PHE A 70 66.054 3.764 6.702 1.00 0.00 C ATOM 1108 CE2 PHE A 70 68.410 4.329 6.796 1.00 0.00 C ATOM 1109 CZ PHE A 70 67.193 4.314 6.103 1.00 0.00 C ATOM 0 H PHE A 70 67.671 1.260 12.126 1.00 0.00 H new ATOM 0 HA PHE A 70 67.005 0.664 9.427 1.00 0.00 H new ATOM 0 HB2 PHE A 70 66.470 2.801 10.592 1.00 0.00 H new ATOM 0 HB3 PHE A 70 68.175 3.203 10.663 1.00 0.00 H new ATOM 0 HD1 PHE A 70 65.251 2.806 8.454 1.00 0.00 H new ATOM 0 HD2 PHE A 70 69.424 3.806 8.623 1.00 0.00 H new ATOM 0 HE1 PHE A 70 65.115 3.752 6.168 1.00 0.00 H new ATOM 0 HE2 PHE A 70 69.289 4.753 6.334 1.00 0.00 H new ATOM 0 HZ PHE A 70 67.134 4.727 5.107 1.00 0.00 H new ATOM 1119 N GLN A 71 70.179 1.419 9.949 1.00 0.00 N ATOM 1120 CA GLN A 71 71.517 1.305 9.307 1.00 0.00 C ATOM 1121 C GLN A 71 71.765 -0.161 8.943 1.00 0.00 C ATOM 1122 O GLN A 71 72.068 -0.482 7.811 1.00 0.00 O ATOM 1123 CB GLN A 71 72.591 1.794 10.283 1.00 0.00 C ATOM 1124 CG GLN A 71 72.484 3.314 10.447 1.00 0.00 C ATOM 1125 CD GLN A 71 71.208 3.662 11.217 1.00 0.00 C ATOM 1126 OE1 GLN A 71 70.932 3.083 12.249 1.00 0.00 O ATOM 1127 NE2 GLN A 71 70.414 4.589 10.757 1.00 0.00 N ATOM 0 H GLN A 71 70.176 1.809 10.891 1.00 0.00 H new ATOM 0 HA GLN A 71 71.556 1.915 8.405 1.00 0.00 H new ATOM 0 HB2 GLN A 71 72.469 1.304 11.249 1.00 0.00 H new ATOM 0 HB3 GLN A 71 73.581 1.527 9.914 1.00 0.00 H new ATOM 0 HG2 GLN A 71 73.356 3.694 10.979 1.00 0.00 H new ATOM 0 HG3 GLN A 71 72.472 3.795 9.469 1.00 0.00 H new ATOM 0 HE21 GLN A 71 70.646 5.075 9.891 1.00 0.00 H new ATOM 0 HE22 GLN A 71 69.562 4.828 11.264 1.00 0.00 H new ATOM 1136 N GLU A 72 71.624 -1.057 9.882 1.00 0.00 N ATOM 1137 CA GLU A 72 71.836 -2.500 9.565 1.00 0.00 C ATOM 1138 C GLU A 72 70.833 -2.900 8.482 1.00 0.00 C ATOM 1139 O GLU A 72 71.160 -3.550 7.509 1.00 0.00 O ATOM 1140 CB GLU A 72 71.579 -3.326 10.824 1.00 0.00 C ATOM 1141 CG GLU A 72 72.679 -3.047 11.848 1.00 0.00 C ATOM 1142 CD GLU A 72 72.292 -3.674 13.188 1.00 0.00 C ATOM 1143 OE1 GLU A 72 71.414 -4.520 13.191 1.00 0.00 O ATOM 1144 OE2 GLU A 72 72.871 -3.289 14.189 1.00 0.00 O ATOM 0 H GLU A 72 71.373 -0.855 10.850 1.00 0.00 H new ATOM 0 HA GLU A 72 72.855 -2.673 9.219 1.00 0.00 H new ATOM 0 HB2 GLU A 72 70.605 -3.076 11.244 1.00 0.00 H new ATOM 0 HB3 GLU A 72 71.557 -4.388 10.578 1.00 0.00 H new ATOM 0 HG2 GLU A 72 73.627 -3.458 11.501 1.00 0.00 H new ATOM 0 HG3 GLU A 72 72.820 -1.972 11.963 1.00 0.00 H new ATOM 1151 N PHE A 73 69.604 -2.519 8.675 1.00 0.00 N ATOM 1152 CA PHE A 73 68.541 -2.871 7.691 1.00 0.00 C ATOM 1153 C PHE A 73 69.050 -2.558 6.283 1.00 0.00 C ATOM 1154 O PHE A 73 68.824 -3.302 5.352 1.00 0.00 O ATOM 1155 CB PHE A 73 67.276 -2.061 7.968 1.00 0.00 C ATOM 1156 CG PHE A 73 66.212 -2.462 6.982 1.00 0.00 C ATOM 1157 CD1 PHE A 73 66.110 -1.795 5.758 1.00 0.00 C ATOM 1158 CD2 PHE A 73 65.327 -3.501 7.292 1.00 0.00 C ATOM 1159 CE1 PHE A 73 65.123 -2.167 4.840 1.00 0.00 C ATOM 1160 CE2 PHE A 73 64.337 -3.873 6.374 1.00 0.00 C ATOM 1161 CZ PHE A 73 64.235 -3.206 5.147 1.00 0.00 C ATOM 0 H PHE A 73 69.286 -1.975 9.477 1.00 0.00 H new ATOM 0 HA PHE A 73 68.303 -3.931 7.777 1.00 0.00 H new ATOM 0 HB2 PHE A 73 66.931 -2.238 8.987 1.00 0.00 H new ATOM 0 HB3 PHE A 73 67.485 -0.995 7.883 1.00 0.00 H new ATOM 0 HD1 PHE A 73 66.793 -0.993 5.521 1.00 0.00 H new ATOM 0 HD2 PHE A 73 65.407 -4.015 8.238 1.00 0.00 H new ATOM 0 HE1 PHE A 73 65.045 -1.653 3.893 1.00 0.00 H new ATOM 0 HE2 PHE A 73 63.653 -4.674 6.612 1.00 0.00 H new ATOM 0 HZ PHE A 73 63.472 -3.492 4.438 1.00 0.00 H new ATOM 1171 N MET A 74 69.754 -1.473 6.127 1.00 0.00 N ATOM 1172 CA MET A 74 70.299 -1.128 4.785 1.00 0.00 C ATOM 1173 C MET A 74 71.408 -2.126 4.430 1.00 0.00 C ATOM 1174 O MET A 74 71.681 -2.384 3.274 1.00 0.00 O ATOM 1175 CB MET A 74 70.872 0.291 4.808 1.00 0.00 C ATOM 1176 CG MET A 74 69.735 1.302 4.963 1.00 0.00 C ATOM 1177 SD MET A 74 68.719 1.311 3.461 1.00 0.00 S ATOM 1178 CE MET A 74 69.938 2.050 2.341 1.00 0.00 C ATOM 0 H MET A 74 69.976 -0.810 6.870 1.00 0.00 H new ATOM 0 HA MET A 74 69.504 -1.177 4.041 1.00 0.00 H new ATOM 0 HB2 MET A 74 71.579 0.395 5.631 1.00 0.00 H new ATOM 0 HB3 MET A 74 71.423 0.486 3.888 1.00 0.00 H new ATOM 0 HG2 MET A 74 69.122 1.045 5.827 1.00 0.00 H new ATOM 0 HG3 MET A 74 70.142 2.297 5.145 1.00 0.00 H new ATOM 0 HE1 MET A 74 69.422 2.577 1.538 1.00 0.00 H new ATOM 0 HE2 MET A 74 70.561 2.753 2.894 1.00 0.00 H new ATOM 0 HE3 MET A 74 70.565 1.266 1.916 1.00 0.00 H new ATOM 1188 N ALA A 75 72.036 -2.701 5.423 1.00 0.00 N ATOM 1189 CA ALA A 75 73.112 -3.700 5.150 1.00 0.00 C ATOM 1190 C ALA A 75 72.480 -4.929 4.495 1.00 0.00 C ATOM 1191 O ALA A 75 72.852 -5.338 3.413 1.00 0.00 O ATOM 1192 CB ALA A 75 73.785 -4.102 6.465 1.00 0.00 C ATOM 0 H ALA A 75 71.851 -2.522 6.410 1.00 0.00 H new ATOM 0 HA ALA A 75 73.863 -3.270 4.487 1.00 0.00 H new ATOM 0 HB1 ALA A 75 74.570 -4.831 6.264 1.00 0.00 H new ATOM 0 HB2 ALA A 75 74.220 -3.220 6.935 1.00 0.00 H new ATOM 0 HB3 ALA A 75 73.044 -4.541 7.133 1.00 0.00 H new ATOM 1198 N PHE A 76 71.517 -5.510 5.152 1.00 0.00 N ATOM 1199 CA PHE A 76 70.842 -6.710 4.584 1.00 0.00 C ATOM 1200 C PHE A 76 70.352 -6.349 3.184 1.00 0.00 C ATOM 1201 O PHE A 76 70.444 -7.127 2.255 1.00 0.00 O ATOM 1202 CB PHE A 76 69.650 -7.103 5.455 1.00 0.00 C ATOM 1203 CG PHE A 76 68.988 -8.317 4.856 1.00 0.00 C ATOM 1204 CD1 PHE A 76 67.972 -8.159 3.908 1.00 0.00 C ATOM 1205 CD2 PHE A 76 69.397 -9.600 5.237 1.00 0.00 C ATOM 1206 CE1 PHE A 76 67.363 -9.283 3.340 1.00 0.00 C ATOM 1207 CE2 PHE A 76 68.789 -10.726 4.669 1.00 0.00 C ATOM 1208 CZ PHE A 76 67.771 -10.567 3.720 1.00 0.00 C ATOM 0 H PHE A 76 71.167 -5.205 6.060 1.00 0.00 H new ATOM 0 HA PHE A 76 71.536 -7.550 4.547 1.00 0.00 H new ATOM 0 HB2 PHE A 76 69.980 -7.317 6.472 1.00 0.00 H new ATOM 0 HB3 PHE A 76 68.940 -6.278 5.517 1.00 0.00 H new ATOM 0 HD1 PHE A 76 67.657 -7.168 3.614 1.00 0.00 H new ATOM 0 HD2 PHE A 76 70.182 -9.722 5.969 1.00 0.00 H new ATOM 0 HE1 PHE A 76 66.578 -9.160 2.608 1.00 0.00 H new ATOM 0 HE2 PHE A 76 69.105 -11.716 4.962 1.00 0.00 H new ATOM 0 HZ PHE A 76 67.301 -11.435 3.282 1.00 0.00 H new ATOM 1218 N VAL A 77 69.862 -5.154 3.029 1.00 0.00 N ATOM 1219 CA VAL A 77 69.402 -4.725 1.684 1.00 0.00 C ATOM 1220 C VAL A 77 70.610 -4.803 0.749 1.00 0.00 C ATOM 1221 O VAL A 77 70.527 -5.321 -0.349 1.00 0.00 O ATOM 1222 CB VAL A 77 68.874 -3.288 1.742 1.00 0.00 C ATOM 1223 CG1 VAL A 77 68.638 -2.766 0.322 1.00 0.00 C ATOM 1224 CG2 VAL A 77 67.549 -3.264 2.509 1.00 0.00 C ATOM 0 H VAL A 77 69.761 -4.460 3.770 1.00 0.00 H new ATOM 0 HA VAL A 77 68.594 -5.365 1.328 1.00 0.00 H new ATOM 0 HB VAL A 77 69.606 -2.657 2.246 1.00 0.00 H new ATOM 0 HG11 VAL A 77 68.263 -1.744 0.368 1.00 0.00 H new ATOM 0 HG12 VAL A 77 69.576 -2.783 -0.233 1.00 0.00 H new ATOM 0 HG13 VAL A 77 67.907 -3.399 -0.181 1.00 0.00 H new ATOM 0 HG21 VAL A 77 67.172 -2.242 2.551 1.00 0.00 H new ATOM 0 HG22 VAL A 77 66.823 -3.898 2.001 1.00 0.00 H new ATOM 0 HG23 VAL A 77 67.708 -3.634 3.522 1.00 0.00 H new ATOM 1234 N SER A 78 71.738 -4.308 1.187 1.00 0.00 N ATOM 1235 CA SER A 78 72.961 -4.367 0.339 1.00 0.00 C ATOM 1236 C SER A 78 73.384 -5.825 0.149 1.00 0.00 C ATOM 1237 O SER A 78 73.776 -6.228 -0.925 1.00 0.00 O ATOM 1238 CB SER A 78 74.093 -3.595 1.018 1.00 0.00 C ATOM 1239 OG SER A 78 75.273 -3.709 0.231 1.00 0.00 O ATOM 0 H SER A 78 71.863 -3.865 2.097 1.00 0.00 H new ATOM 0 HA SER A 78 72.747 -3.921 -0.632 1.00 0.00 H new ATOM 0 HB2 SER A 78 73.817 -2.547 1.132 1.00 0.00 H new ATOM 0 HB3 SER A 78 74.269 -3.989 2.019 1.00 0.00 H new ATOM 0 HG SER A 78 76.002 -3.215 0.661 1.00 0.00 H new ATOM 1245 N MET A 79 73.332 -6.614 1.188 1.00 0.00 N ATOM 1246 CA MET A 79 73.761 -8.037 1.057 1.00 0.00 C ATOM 1247 C MET A 79 72.956 -8.691 -0.064 1.00 0.00 C ATOM 1248 O MET A 79 73.485 -9.415 -0.882 1.00 0.00 O ATOM 1249 CB MET A 79 73.498 -8.773 2.375 1.00 0.00 C ATOM 1250 CG MET A 79 74.403 -8.207 3.474 1.00 0.00 C ATOM 1251 SD MET A 79 76.081 -8.860 3.282 1.00 0.00 S ATOM 1252 CE MET A 79 75.846 -10.381 4.237 1.00 0.00 C ATOM 0 H MET A 79 73.013 -6.338 2.117 1.00 0.00 H new ATOM 0 HA MET A 79 74.825 -8.086 0.826 1.00 0.00 H new ATOM 0 HB2 MET A 79 72.452 -8.664 2.661 1.00 0.00 H new ATOM 0 HB3 MET A 79 73.685 -9.840 2.250 1.00 0.00 H new ATOM 0 HG2 MET A 79 74.418 -7.118 3.421 1.00 0.00 H new ATOM 0 HG3 MET A 79 74.009 -8.473 4.455 1.00 0.00 H new ATOM 0 HE1 MET A 79 76.776 -10.950 4.250 1.00 0.00 H new ATOM 0 HE2 MET A 79 75.561 -10.129 5.258 1.00 0.00 H new ATOM 0 HE3 MET A 79 75.060 -10.981 3.778 1.00 0.00 H new ATOM 1262 N VAL A 80 71.692 -8.405 -0.134 1.00 0.00 N ATOM 1263 CA VAL A 80 70.863 -8.970 -1.231 1.00 0.00 C ATOM 1264 C VAL A 80 71.450 -8.491 -2.559 1.00 0.00 C ATOM 1265 O VAL A 80 71.400 -9.168 -3.565 1.00 0.00 O ATOM 1266 CB VAL A 80 69.416 -8.478 -1.091 1.00 0.00 C ATOM 1267 CG1 VAL A 80 68.614 -8.848 -2.347 1.00 0.00 C ATOM 1268 CG2 VAL A 80 68.777 -9.135 0.136 1.00 0.00 C ATOM 0 H VAL A 80 71.194 -7.803 0.522 1.00 0.00 H new ATOM 0 HA VAL A 80 70.864 -10.059 -1.189 1.00 0.00 H new ATOM 0 HB VAL A 80 69.412 -7.394 -0.973 1.00 0.00 H new ATOM 0 HG11 VAL A 80 67.588 -8.496 -2.240 1.00 0.00 H new ATOM 0 HG12 VAL A 80 69.069 -8.381 -3.220 1.00 0.00 H new ATOM 0 HG13 VAL A 80 68.615 -9.931 -2.473 1.00 0.00 H new ATOM 0 HG21 VAL A 80 67.749 -8.789 0.240 1.00 0.00 H new ATOM 0 HG22 VAL A 80 68.785 -10.218 0.014 1.00 0.00 H new ATOM 0 HG23 VAL A 80 69.342 -8.866 1.028 1.00 0.00 H new ATOM 1278 N THR A 81 72.034 -7.324 -2.542 1.00 0.00 N ATOM 1279 CA THR A 81 72.671 -6.773 -3.772 1.00 0.00 C ATOM 1280 C THR A 81 74.096 -7.327 -3.901 1.00 0.00 C ATOM 1281 O THR A 81 74.496 -7.821 -4.936 1.00 0.00 O ATOM 1282 CB THR A 81 72.718 -5.247 -3.666 1.00 0.00 C ATOM 1283 OG1 THR A 81 71.430 -4.765 -3.312 1.00 0.00 O ATOM 1284 CG2 THR A 81 73.136 -4.650 -5.008 1.00 0.00 C ATOM 0 H THR A 81 72.098 -6.723 -1.720 1.00 0.00 H new ATOM 0 HA THR A 81 72.094 -7.062 -4.651 1.00 0.00 H new ATOM 0 HB THR A 81 73.442 -4.956 -2.904 1.00 0.00 H new ATOM 0 HG1 THR A 81 70.797 -5.513 -3.285 1.00 0.00 H new ATOM 0 HG21 THR A 81 73.168 -3.563 -4.929 1.00 0.00 H new ATOM 0 HG22 THR A 81 74.123 -5.023 -5.281 1.00 0.00 H new ATOM 0 HG23 THR A 81 72.415 -4.937 -5.774 1.00 0.00 H new ATOM 1292 N THR A 82 74.859 -7.237 -2.844 1.00 0.00 N ATOM 1293 CA THR A 82 76.266 -7.740 -2.859 1.00 0.00 C ATOM 1294 C THR A 82 76.277 -9.271 -2.897 1.00 0.00 C ATOM 1295 O THR A 82 77.263 -9.883 -3.259 1.00 0.00 O ATOM 1296 CB THR A 82 76.990 -7.257 -1.593 1.00 0.00 C ATOM 1297 OG1 THR A 82 76.645 -5.903 -1.340 1.00 0.00 O ATOM 1298 CG2 THR A 82 78.505 -7.370 -1.784 1.00 0.00 C ATOM 0 H THR A 82 74.563 -6.830 -1.957 1.00 0.00 H new ATOM 0 HA THR A 82 76.773 -7.358 -3.745 1.00 0.00 H new ATOM 0 HB THR A 82 76.688 -7.877 -0.748 1.00 0.00 H new ATOM 0 HG1 THR A 82 75.967 -5.865 -0.634 1.00 0.00 H new ATOM 0 HG21 THR A 82 79.012 -7.026 -0.883 1.00 0.00 H new ATOM 0 HG22 THR A 82 78.771 -8.410 -1.976 1.00 0.00 H new ATOM 0 HG23 THR A 82 78.812 -6.755 -2.630 1.00 0.00 H new ATOM 1306 N ALA A 83 75.192 -9.896 -2.532 1.00 0.00 N ATOM 1307 CA ALA A 83 75.155 -11.385 -2.559 1.00 0.00 C ATOM 1308 C ALA A 83 75.019 -11.865 -4.003 1.00 0.00 C ATOM 1309 O ALA A 83 75.629 -12.833 -4.407 1.00 0.00 O ATOM 1310 CB ALA A 83 73.968 -11.893 -1.738 1.00 0.00 C ATOM 0 H ALA A 83 74.334 -9.443 -2.218 1.00 0.00 H new ATOM 0 HA ALA A 83 76.079 -11.773 -2.130 1.00 0.00 H new ATOM 0 HB1 ALA A 83 73.948 -12.983 -1.763 1.00 0.00 H new ATOM 0 HB2 ALA A 83 74.068 -11.555 -0.706 1.00 0.00 H new ATOM 0 HB3 ALA A 83 73.041 -11.504 -2.159 1.00 0.00 H new ATOM 1316 N CYS A 84 74.209 -11.200 -4.780 1.00 0.00 N ATOM 1317 CA CYS A 84 74.019 -11.626 -6.194 1.00 0.00 C ATOM 1318 C CYS A 84 75.279 -11.318 -7.006 1.00 0.00 C ATOM 1319 O CYS A 84 75.780 -10.213 -7.000 1.00 0.00 O ATOM 1320 CB CYS A 84 72.834 -10.869 -6.796 1.00 0.00 C ATOM 1321 SG CYS A 84 71.319 -11.319 -5.914 1.00 0.00 S ATOM 0 H CYS A 84 73.671 -10.381 -4.497 1.00 0.00 H new ATOM 0 HA CYS A 84 73.827 -12.699 -6.222 1.00 0.00 H new ATOM 0 HB2 CYS A 84 73.002 -9.794 -6.727 1.00 0.00 H new ATOM 0 HB3 CYS A 84 72.736 -11.109 -7.855 1.00 0.00 H new ATOM 0 HG CYS A 84 70.437 -11.757 -6.762 1.00 0.00 H new ATOM 1450 N SER B 1 59.745 -7.261 -7.841 1.00 0.00 N ATOM 1451 CA SER B 1 59.308 -6.403 -6.705 1.00 0.00 C ATOM 1452 C SER B 1 59.934 -5.015 -6.844 1.00 0.00 C ATOM 1453 O SER B 1 60.998 -4.858 -7.407 1.00 0.00 O ATOM 1454 CB SER B 1 59.764 -7.030 -5.387 1.00 0.00 C ATOM 1455 OG SER B 1 59.772 -6.034 -4.373 1.00 0.00 O ATOM 0 H1 SER B 1 59.924 -8.226 -7.498 1.00 0.00 H new ATOM 0 H2 SER B 1 58.999 -7.284 -8.566 1.00 0.00 H new ATOM 0 H3 SER B 1 60.617 -6.873 -8.254 1.00 0.00 H new ATOM 0 HA SER B 1 58.221 -6.318 -6.714 1.00 0.00 H new ATOM 0 HB2 SER B 1 59.096 -7.845 -5.108 1.00 0.00 H new ATOM 0 HB3 SER B 1 60.760 -7.459 -5.500 1.00 0.00 H new ATOM 0 HG SER B 1 58.930 -6.070 -3.872 1.00 0.00 H new ATOM 1463 N GLU B 2 59.276 -4.005 -6.346 1.00 0.00 N ATOM 1464 CA GLU B 2 59.819 -2.622 -6.456 1.00 0.00 C ATOM 1465 C GLU B 2 61.181 -2.541 -5.761 1.00 0.00 C ATOM 1466 O GLU B 2 62.066 -1.836 -6.202 1.00 0.00 O ATOM 1467 CB GLU B 2 58.846 -1.649 -5.785 1.00 0.00 C ATOM 1468 CG GLU B 2 57.568 -1.545 -6.621 1.00 0.00 C ATOM 1469 CD GLU B 2 56.550 -0.665 -5.891 1.00 0.00 C ATOM 1470 OE1 GLU B 2 56.652 0.546 -6.006 1.00 0.00 O ATOM 1471 OE2 GLU B 2 55.688 -1.217 -5.227 1.00 0.00 O ATOM 0 H GLU B 2 58.380 -4.079 -5.865 1.00 0.00 H new ATOM 0 HA GLU B 2 59.939 -2.361 -7.507 1.00 0.00 H new ATOM 0 HB2 GLU B 2 58.608 -1.993 -4.779 1.00 0.00 H new ATOM 0 HB3 GLU B 2 59.308 -0.667 -5.685 1.00 0.00 H new ATOM 0 HG2 GLU B 2 57.795 -1.122 -7.600 1.00 0.00 H new ATOM 0 HG3 GLU B 2 57.151 -2.537 -6.791 1.00 0.00 H new ATOM 1478 N LEU B 3 61.369 -3.258 -4.686 1.00 0.00 N ATOM 1479 CA LEU B 3 62.683 -3.220 -3.981 1.00 0.00 C ATOM 1480 C LEU B 3 63.768 -3.913 -4.818 1.00 0.00 C ATOM 1481 O LEU B 3 64.920 -3.529 -4.783 1.00 0.00 O ATOM 1482 CB LEU B 3 62.560 -3.931 -2.629 1.00 0.00 C ATOM 1483 CG LEU B 3 61.719 -3.093 -1.652 1.00 0.00 C ATOM 1484 CD1 LEU B 3 61.367 -3.953 -0.434 1.00 0.00 C ATOM 1485 CD2 LEU B 3 62.514 -1.853 -1.185 1.00 0.00 C ATOM 0 H LEU B 3 60.669 -3.869 -4.265 1.00 0.00 H new ATOM 0 HA LEU B 3 62.965 -2.178 -3.831 1.00 0.00 H new ATOM 0 HB2 LEU B 3 62.100 -4.909 -2.767 1.00 0.00 H new ATOM 0 HB3 LEU B 3 63.552 -4.102 -2.210 1.00 0.00 H new ATOM 0 HG LEU B 3 60.811 -2.761 -2.156 1.00 0.00 H new ATOM 0 HD11 LEU B 3 60.770 -3.367 0.265 1.00 0.00 H new ATOM 0 HD12 LEU B 3 60.797 -4.824 -0.756 1.00 0.00 H new ATOM 0 HD13 LEU B 3 62.283 -4.281 0.057 1.00 0.00 H new ATOM 0 HD21 LEU B 3 61.905 -1.270 -0.494 1.00 0.00 H new ATOM 0 HD22 LEU B 3 63.427 -2.174 -0.683 1.00 0.00 H new ATOM 0 HD23 LEU B 3 62.771 -1.239 -2.048 1.00 0.00 H new ATOM 1497 N GLU B 4 63.422 -4.928 -5.569 1.00 0.00 N ATOM 1498 CA GLU B 4 64.455 -5.626 -6.394 1.00 0.00 C ATOM 1499 C GLU B 4 65.037 -4.650 -7.420 1.00 0.00 C ATOM 1500 O GLU B 4 66.234 -4.579 -7.614 1.00 0.00 O ATOM 1501 CB GLU B 4 63.808 -6.819 -7.117 1.00 0.00 C ATOM 1502 CG GLU B 4 64.859 -7.587 -7.934 1.00 0.00 C ATOM 1503 CD GLU B 4 65.847 -8.268 -6.986 1.00 0.00 C ATOM 1504 OE1 GLU B 4 65.563 -8.317 -5.801 1.00 0.00 O ATOM 1505 OE2 GLU B 4 66.869 -8.733 -7.462 1.00 0.00 O ATOM 0 H GLU B 4 62.476 -5.302 -5.647 1.00 0.00 H new ATOM 0 HA GLU B 4 65.257 -5.986 -5.749 1.00 0.00 H new ATOM 0 HB2 GLU B 4 63.346 -7.486 -6.389 1.00 0.00 H new ATOM 0 HB3 GLU B 4 63.014 -6.466 -7.775 1.00 0.00 H new ATOM 0 HG2 GLU B 4 64.372 -8.331 -8.564 1.00 0.00 H new ATOM 0 HG3 GLU B 4 65.388 -6.904 -8.598 1.00 0.00 H new ATOM 1512 N LYS B 5 64.199 -3.909 -8.087 1.00 0.00 N ATOM 1513 CA LYS B 5 64.690 -2.944 -9.115 1.00 0.00 C ATOM 1514 C LYS B 5 65.608 -1.901 -8.485 1.00 0.00 C ATOM 1515 O LYS B 5 66.580 -1.477 -9.079 1.00 0.00 O ATOM 1516 CB LYS B 5 63.502 -2.232 -9.758 1.00 0.00 C ATOM 1517 CG LYS B 5 62.727 -3.219 -10.628 1.00 0.00 C ATOM 1518 CD LYS B 5 61.539 -2.500 -11.269 1.00 0.00 C ATOM 1519 CE LYS B 5 60.752 -3.477 -12.144 1.00 0.00 C ATOM 1520 NZ LYS B 5 60.167 -4.551 -11.289 1.00 0.00 N ATOM 0 H LYS B 5 63.187 -3.929 -7.965 1.00 0.00 H new ATOM 0 HA LYS B 5 65.249 -3.501 -9.867 1.00 0.00 H new ATOM 0 HB2 LYS B 5 62.850 -1.821 -8.987 1.00 0.00 H new ATOM 0 HB3 LYS B 5 63.850 -1.394 -10.362 1.00 0.00 H new ATOM 0 HG2 LYS B 5 63.378 -3.631 -11.400 1.00 0.00 H new ATOM 0 HG3 LYS B 5 62.378 -4.057 -10.025 1.00 0.00 H new ATOM 0 HD2 LYS B 5 60.891 -2.088 -10.495 1.00 0.00 H new ATOM 0 HD3 LYS B 5 61.891 -1.662 -11.870 1.00 0.00 H new ATOM 0 HE2 LYS B 5 59.960 -2.949 -12.676 1.00 0.00 H new ATOM 0 HE3 LYS B 5 61.406 -3.914 -12.899 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 59.390 -5.017 -11.800 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 60.901 -5.252 -11.061 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 59.801 -4.134 -10.409 1.00 0.00 H new ATOM 1534 N ALA B 6 65.298 -1.462 -7.302 1.00 0.00 N ATOM 1535 CA ALA B 6 66.145 -0.422 -6.661 1.00 0.00 C ATOM 1536 C ALA B 6 67.577 -0.939 -6.527 1.00 0.00 C ATOM 1537 O ALA B 6 68.520 -0.270 -6.887 1.00 0.00 O ATOM 1538 CB ALA B 6 65.584 -0.095 -5.274 1.00 0.00 C ATOM 0 H ALA B 6 64.498 -1.776 -6.752 1.00 0.00 H new ATOM 0 HA ALA B 6 66.144 0.479 -7.275 1.00 0.00 H new ATOM 0 HB1 ALA B 6 66.203 0.667 -4.802 1.00 0.00 H new ATOM 0 HB2 ALA B 6 64.564 0.276 -5.372 1.00 0.00 H new ATOM 0 HB3 ALA B 6 65.585 -0.995 -4.660 1.00 0.00 H new ATOM 1544 N MET B 7 67.750 -2.124 -6.016 1.00 0.00 N ATOM 1545 CA MET B 7 69.129 -2.668 -5.868 1.00 0.00 C ATOM 1546 C MET B 7 69.755 -2.904 -7.247 1.00 0.00 C ATOM 1547 O MET B 7 70.910 -2.603 -7.474 1.00 0.00 O ATOM 1548 CB MET B 7 69.057 -3.991 -5.108 1.00 0.00 C ATOM 1549 CG MET B 7 68.678 -3.716 -3.652 1.00 0.00 C ATOM 1550 SD MET B 7 68.648 -5.273 -2.724 1.00 0.00 S ATOM 1551 CE MET B 7 67.198 -6.009 -3.521 1.00 0.00 C ATOM 0 H MET B 7 67.001 -2.738 -5.695 1.00 0.00 H new ATOM 0 HA MET B 7 69.744 -1.954 -5.321 1.00 0.00 H new ATOM 0 HB2 MET B 7 68.321 -4.649 -5.569 1.00 0.00 H new ATOM 0 HB3 MET B 7 70.018 -4.504 -5.155 1.00 0.00 H new ATOM 0 HG2 MET B 7 69.394 -3.028 -3.203 1.00 0.00 H new ATOM 0 HG3 MET B 7 67.701 -3.235 -3.605 1.00 0.00 H new ATOM 0 HE1 MET B 7 66.545 -6.440 -2.762 1.00 0.00 H new ATOM 0 HE2 MET B 7 66.656 -5.240 -4.072 1.00 0.00 H new ATOM 0 HE3 MET B 7 67.519 -6.791 -4.210 1.00 0.00 H new ATOM 1561 N VAL B 8 69.005 -3.452 -8.162 1.00 0.00 N ATOM 1562 CA VAL B 8 69.551 -3.729 -9.524 1.00 0.00 C ATOM 1563 C VAL B 8 70.010 -2.420 -10.179 1.00 0.00 C ATOM 1564 O VAL B 8 71.023 -2.377 -10.852 1.00 0.00 O ATOM 1565 CB VAL B 8 68.470 -4.409 -10.376 1.00 0.00 C ATOM 1566 CG1 VAL B 8 68.934 -4.504 -11.835 1.00 0.00 C ATOM 1567 CG2 VAL B 8 68.210 -5.820 -9.833 1.00 0.00 C ATOM 0 H VAL B 8 68.031 -3.722 -8.026 1.00 0.00 H new ATOM 0 HA VAL B 8 70.411 -4.394 -9.446 1.00 0.00 H new ATOM 0 HB VAL B 8 67.554 -3.820 -10.330 1.00 0.00 H new ATOM 0 HG11 VAL B 8 68.161 -4.988 -12.432 1.00 0.00 H new ATOM 0 HG12 VAL B 8 69.119 -3.503 -12.224 1.00 0.00 H new ATOM 0 HG13 VAL B 8 69.852 -5.089 -11.887 1.00 0.00 H new ATOM 0 HG21 VAL B 8 67.443 -6.306 -10.436 1.00 0.00 H new ATOM 0 HG22 VAL B 8 69.130 -6.403 -9.878 1.00 0.00 H new ATOM 0 HG23 VAL B 8 67.872 -5.755 -8.799 1.00 0.00 H new ATOM 1577 N ALA B 9 69.269 -1.359 -10.010 1.00 0.00 N ATOM 1578 CA ALA B 9 69.666 -0.067 -10.649 1.00 0.00 C ATOM 1579 C ALA B 9 71.045 0.370 -10.147 1.00 0.00 C ATOM 1580 O ALA B 9 71.859 0.866 -10.902 1.00 0.00 O ATOM 1581 CB ALA B 9 68.641 1.016 -10.296 1.00 0.00 C ATOM 0 H ALA B 9 68.410 -1.328 -9.461 1.00 0.00 H new ATOM 0 HA ALA B 9 69.703 -0.207 -11.729 1.00 0.00 H new ATOM 0 HB1 ALA B 9 68.931 1.958 -10.762 1.00 0.00 H new ATOM 0 HB2 ALA B 9 67.658 0.719 -10.660 1.00 0.00 H new ATOM 0 HB3 ALA B 9 68.604 1.143 -9.214 1.00 0.00 H new ATOM 1587 N LEU B 10 71.318 0.196 -8.886 1.00 0.00 N ATOM 1588 CA LEU B 10 72.649 0.608 -8.352 1.00 0.00 C ATOM 1589 C LEU B 10 73.758 -0.203 -9.044 1.00 0.00 C ATOM 1590 O LEU B 10 74.773 0.340 -9.436 1.00 0.00 O ATOM 1591 CB LEU B 10 72.692 0.375 -6.827 1.00 0.00 C ATOM 1592 CG LEU B 10 72.095 1.573 -6.049 1.00 0.00 C ATOM 1593 CD1 LEU B 10 73.120 2.710 -5.938 1.00 0.00 C ATOM 1594 CD2 LEU B 10 70.822 2.099 -6.731 1.00 0.00 C ATOM 0 H LEU B 10 70.681 -0.212 -8.202 1.00 0.00 H new ATOM 0 HA LEU B 10 72.808 1.668 -8.552 1.00 0.00 H new ATOM 0 HB2 LEU B 10 72.138 -0.531 -6.581 1.00 0.00 H new ATOM 0 HB3 LEU B 10 73.723 0.214 -6.512 1.00 0.00 H new ATOM 0 HG LEU B 10 71.838 1.220 -5.050 1.00 0.00 H new ATOM 0 HD11 LEU B 10 72.682 3.543 -5.388 1.00 0.00 H new ATOM 0 HD12 LEU B 10 74.004 2.352 -5.411 1.00 0.00 H new ATOM 0 HD13 LEU B 10 73.403 3.044 -6.936 1.00 0.00 H new ATOM 0 HD21 LEU B 10 70.425 2.940 -6.162 1.00 0.00 H new ATOM 0 HD22 LEU B 10 71.060 2.426 -7.743 1.00 0.00 H new ATOM 0 HD23 LEU B 10 70.077 1.305 -6.772 1.00 0.00 H new ATOM 1606 N ILE B 11 73.586 -1.491 -9.198 1.00 0.00 N ATOM 1607 CA ILE B 11 74.649 -2.302 -9.867 1.00 0.00 C ATOM 1608 C ILE B 11 74.879 -1.785 -11.290 1.00 0.00 C ATOM 1609 O ILE B 11 75.994 -1.518 -11.690 1.00 0.00 O ATOM 1610 CB ILE B 11 74.213 -3.774 -9.906 1.00 0.00 C ATOM 1611 CG1 ILE B 11 74.249 -4.347 -8.486 1.00 0.00 C ATOM 1612 CG2 ILE B 11 75.147 -4.580 -10.815 1.00 0.00 C ATOM 1613 CD1 ILE B 11 73.572 -5.719 -8.466 1.00 0.00 C ATOM 0 H ILE B 11 72.764 -2.013 -8.893 1.00 0.00 H new ATOM 0 HA ILE B 11 75.581 -2.215 -9.308 1.00 0.00 H new ATOM 0 HB ILE B 11 73.200 -3.839 -10.303 1.00 0.00 H new ATOM 0 HG12 ILE B 11 75.281 -4.435 -8.145 1.00 0.00 H new ATOM 0 HG13 ILE B 11 73.742 -3.671 -7.798 1.00 0.00 H new ATOM 0 HG21 ILE B 11 74.827 -5.622 -10.834 1.00 0.00 H new ATOM 0 HG22 ILE B 11 75.113 -4.172 -11.825 1.00 0.00 H new ATOM 0 HG23 ILE B 11 76.166 -4.521 -10.434 1.00 0.00 H new ATOM 0 HD11 ILE B 11 73.600 -6.124 -7.454 1.00 0.00 H new ATOM 0 HD12 ILE B 11 72.536 -5.618 -8.788 1.00 0.00 H new ATOM 0 HD13 ILE B 11 74.098 -6.394 -9.141 1.00 0.00 H new ATOM 1625 N ASP B 12 73.838 -1.648 -12.059 1.00 0.00 N ATOM 1626 CA ASP B 12 74.013 -1.158 -13.453 1.00 0.00 C ATOM 1627 C ASP B 12 74.648 0.235 -13.421 1.00 0.00 C ATOM 1628 O ASP B 12 75.551 0.535 -14.177 1.00 0.00 O ATOM 1629 CB ASP B 12 72.649 -1.087 -14.142 1.00 0.00 C ATOM 1630 CG ASP B 12 72.829 -0.584 -15.575 1.00 0.00 C ATOM 1631 OD1 ASP B 12 73.132 0.586 -15.737 1.00 0.00 O ATOM 1632 OD2 ASP B 12 72.658 -1.377 -16.486 1.00 0.00 O ATOM 0 H ASP B 12 72.877 -1.853 -11.785 1.00 0.00 H new ATOM 0 HA ASP B 12 74.660 -1.840 -14.005 1.00 0.00 H new ATOM 0 HB2 ASP B 12 72.180 -2.071 -14.147 1.00 0.00 H new ATOM 0 HB3 ASP B 12 71.985 -0.420 -13.591 1.00 0.00 H new ATOM 1637 N VAL B 13 74.185 1.082 -12.547 1.00 0.00 N ATOM 1638 CA VAL B 13 74.762 2.453 -12.456 1.00 0.00 C ATOM 1639 C VAL B 13 76.183 2.384 -11.878 1.00 0.00 C ATOM 1640 O VAL B 13 77.071 3.096 -12.302 1.00 0.00 O ATOM 1641 CB VAL B 13 73.869 3.324 -11.561 1.00 0.00 C ATOM 1642 CG1 VAL B 13 74.568 4.656 -11.256 1.00 0.00 C ATOM 1643 CG2 VAL B 13 72.542 3.593 -12.279 1.00 0.00 C ATOM 0 H VAL B 13 73.430 0.885 -11.890 1.00 0.00 H new ATOM 0 HA VAL B 13 74.810 2.894 -13.452 1.00 0.00 H new ATOM 0 HB VAL B 13 73.681 2.801 -10.624 1.00 0.00 H new ATOM 0 HG11 VAL B 13 73.926 5.266 -10.621 1.00 0.00 H new ATOM 0 HG12 VAL B 13 75.510 4.463 -10.742 1.00 0.00 H new ATOM 0 HG13 VAL B 13 74.765 5.185 -12.188 1.00 0.00 H new ATOM 0 HG21 VAL B 13 71.905 4.211 -11.647 1.00 0.00 H new ATOM 0 HG22 VAL B 13 72.735 4.112 -13.218 1.00 0.00 H new ATOM 0 HG23 VAL B 13 72.041 2.647 -12.484 1.00 0.00 H new ATOM 1653 N PHE B 14 76.394 1.544 -10.902 1.00 0.00 N ATOM 1654 CA PHE B 14 77.744 1.438 -10.275 1.00 0.00 C ATOM 1655 C PHE B 14 78.773 0.922 -11.285 1.00 0.00 C ATOM 1656 O PHE B 14 79.771 1.565 -11.548 1.00 0.00 O ATOM 1657 CB PHE B 14 77.656 0.456 -9.101 1.00 0.00 C ATOM 1658 CG PHE B 14 79.021 0.228 -8.488 1.00 0.00 C ATOM 1659 CD1 PHE B 14 79.839 -0.804 -8.968 1.00 0.00 C ATOM 1660 CD2 PHE B 14 79.463 1.035 -7.432 1.00 0.00 C ATOM 1661 CE1 PHE B 14 81.097 -1.029 -8.392 1.00 0.00 C ATOM 1662 CE2 PHE B 14 80.720 0.808 -6.854 1.00 0.00 C ATOM 1663 CZ PHE B 14 81.537 -0.224 -7.334 1.00 0.00 C ATOM 0 H PHE B 14 75.686 0.923 -10.509 1.00 0.00 H new ATOM 0 HA PHE B 14 78.060 2.424 -9.934 1.00 0.00 H new ATOM 0 HB2 PHE B 14 76.974 0.845 -8.346 1.00 0.00 H new ATOM 0 HB3 PHE B 14 77.244 -0.493 -9.445 1.00 0.00 H new ATOM 0 HD1 PHE B 14 79.500 -1.427 -9.783 1.00 0.00 H new ATOM 0 HD2 PHE B 14 78.835 1.833 -7.063 1.00 0.00 H new ATOM 0 HE1 PHE B 14 81.727 -1.823 -8.764 1.00 0.00 H new ATOM 0 HE2 PHE B 14 81.059 1.429 -6.038 1.00 0.00 H new ATOM 0 HZ PHE B 14 82.505 -0.399 -6.888 1.00 0.00 H new ATOM 1673 N HIS B 15 78.568 -0.251 -11.816 1.00 0.00 N ATOM 1674 CA HIS B 15 79.567 -0.827 -12.764 1.00 0.00 C ATOM 1675 C HIS B 15 79.745 0.043 -14.008 1.00 0.00 C ATOM 1676 O HIS B 15 80.854 0.231 -14.469 1.00 0.00 O ATOM 1677 CB HIS B 15 79.118 -2.228 -13.186 1.00 0.00 C ATOM 1678 CG HIS B 15 79.299 -3.179 -12.034 1.00 0.00 C ATOM 1679 ND1 HIS B 15 78.309 -3.382 -11.086 1.00 0.00 N ATOM 1680 CD2 HIS B 15 80.348 -3.984 -11.661 1.00 0.00 C ATOM 1681 CE1 HIS B 15 78.775 -4.277 -10.197 1.00 0.00 C ATOM 1682 NE2 HIS B 15 80.011 -4.674 -10.502 1.00 0.00 N ATOM 0 H HIS B 15 77.753 -0.837 -11.636 1.00 0.00 H new ATOM 0 HA HIS B 15 80.526 -0.872 -12.249 1.00 0.00 H new ATOM 0 HB2 HIS B 15 78.073 -2.209 -13.496 1.00 0.00 H new ATOM 0 HB3 HIS B 15 79.699 -2.565 -14.045 1.00 0.00 H new ATOM 0 HD1 HIS B 15 77.393 -2.934 -11.066 1.00 0.00 H new ATOM 0 HD2 HIS B 15 81.288 -4.068 -12.186 1.00 0.00 H new ATOM 0 HE1 HIS B 15 78.217 -4.630 -9.342 1.00 0.00 H new ATOM 1691 N GLN B 16 78.701 0.586 -14.569 1.00 0.00 N ATOM 1692 CA GLN B 16 78.895 1.432 -15.778 1.00 0.00 C ATOM 1693 C GLN B 16 79.585 2.735 -15.384 1.00 0.00 C ATOM 1694 O GLN B 16 80.465 3.220 -16.065 1.00 0.00 O ATOM 1695 CB GLN B 16 77.533 1.736 -16.403 1.00 0.00 C ATOM 1696 CG GLN B 16 77.723 2.604 -17.645 1.00 0.00 C ATOM 1697 CD GLN B 16 76.390 2.725 -18.383 1.00 0.00 C ATOM 1698 OE1 GLN B 16 75.442 2.034 -18.066 1.00 0.00 O ATOM 1699 NE2 GLN B 16 76.273 3.586 -19.355 1.00 0.00 N ATOM 0 H GLN B 16 77.738 0.483 -14.249 1.00 0.00 H new ATOM 0 HA GLN B 16 79.516 0.903 -16.501 1.00 0.00 H new ATOM 0 HB2 GLN B 16 77.028 0.807 -16.669 1.00 0.00 H new ATOM 0 HB3 GLN B 16 76.897 2.249 -15.682 1.00 0.00 H new ATOM 0 HG2 GLN B 16 78.086 3.592 -17.361 1.00 0.00 H new ATOM 0 HG3 GLN B 16 78.476 2.164 -18.299 1.00 0.00 H new ATOM 0 HE21 GLN B 16 77.069 4.166 -19.621 1.00 0.00 H new ATOM 0 HE22 GLN B 16 75.386 3.680 -19.849 1.00 0.00 H new ATOM 1708 N TYR B 17 79.190 3.293 -14.278 1.00 0.00 N ATOM 1709 CA TYR B 17 79.816 4.559 -13.809 1.00 0.00 C ATOM 1710 C TYR B 17 81.222 4.262 -13.280 1.00 0.00 C ATOM 1711 O TYR B 17 82.170 4.972 -13.555 1.00 0.00 O ATOM 1712 CB TYR B 17 78.964 5.156 -12.688 1.00 0.00 C ATOM 1713 CG TYR B 17 79.558 6.471 -12.252 1.00 0.00 C ATOM 1714 CD1 TYR B 17 80.529 6.500 -11.245 1.00 0.00 C ATOM 1715 CD2 TYR B 17 79.136 7.663 -12.853 1.00 0.00 C ATOM 1716 CE1 TYR B 17 81.080 7.719 -10.839 1.00 0.00 C ATOM 1717 CE2 TYR B 17 79.686 8.884 -12.446 1.00 0.00 C ATOM 1718 CZ TYR B 17 80.658 8.911 -11.440 1.00 0.00 C ATOM 1719 OH TYR B 17 81.205 10.113 -11.044 1.00 0.00 O ATOM 0 H TYR B 17 78.455 2.925 -13.674 1.00 0.00 H new ATOM 0 HA TYR B 17 79.880 5.267 -14.635 1.00 0.00 H new ATOM 0 HB2 TYR B 17 77.941 5.304 -13.034 1.00 0.00 H new ATOM 0 HB3 TYR B 17 78.919 4.467 -11.844 1.00 0.00 H new ATOM 0 HD1 TYR B 17 80.853 5.580 -10.781 1.00 0.00 H new ATOM 0 HD2 TYR B 17 78.386 7.640 -13.630 1.00 0.00 H new ATOM 0 HE1 TYR B 17 81.830 7.741 -10.063 1.00 0.00 H new ATOM 0 HE2 TYR B 17 79.360 9.804 -12.908 1.00 0.00 H new ATOM 0 HH TYR B 17 81.019 10.796 -11.722 1.00 0.00 H new ATOM 1729 N SER B 18 81.351 3.211 -12.516 1.00 0.00 N ATOM 1730 CA SER B 18 82.676 2.837 -11.943 1.00 0.00 C ATOM 1731 C SER B 18 83.582 2.259 -13.032 1.00 0.00 C ATOM 1732 O SER B 18 84.791 2.269 -12.911 1.00 0.00 O ATOM 1733 CB SER B 18 82.473 1.786 -10.852 1.00 0.00 C ATOM 1734 OG SER B 18 83.722 1.496 -10.238 1.00 0.00 O ATOM 0 H SER B 18 80.585 2.588 -12.261 1.00 0.00 H new ATOM 0 HA SER B 18 83.145 3.728 -11.525 1.00 0.00 H new ATOM 0 HB2 SER B 18 81.765 2.151 -10.108 1.00 0.00 H new ATOM 0 HB3 SER B 18 82.046 0.879 -11.280 1.00 0.00 H new ATOM 0 HG SER B 18 83.594 0.823 -9.537 1.00 0.00 H new ATOM 1740 N GLY B 19 83.014 1.748 -14.089 1.00 0.00 N ATOM 1741 CA GLY B 19 83.847 1.161 -15.181 1.00 0.00 C ATOM 1742 C GLY B 19 84.227 2.247 -16.186 1.00 0.00 C ATOM 1743 O GLY B 19 84.536 1.964 -17.327 1.00 0.00 O ATOM 0 H GLY B 19 82.007 1.711 -14.246 1.00 0.00 H new ATOM 0 HA2 GLY B 19 84.747 0.710 -14.762 1.00 0.00 H new ATOM 0 HA3 GLY B 19 83.296 0.365 -15.683 1.00 0.00 H new ATOM 1747 N ARG B 20 84.226 3.489 -15.778 1.00 0.00 N ATOM 1748 CA ARG B 20 84.611 4.579 -16.720 1.00 0.00 C ATOM 1749 C ARG B 20 86.137 4.694 -16.745 1.00 0.00 C ATOM 1750 O ARG B 20 86.745 4.813 -17.791 1.00 0.00 O ATOM 1751 CB ARG B 20 83.998 5.909 -16.247 1.00 0.00 C ATOM 1752 CG ARG B 20 82.462 5.863 -16.348 1.00 0.00 C ATOM 1753 CD ARG B 20 82.003 6.196 -17.775 1.00 0.00 C ATOM 1754 NE ARG B 20 82.156 7.661 -18.007 1.00 0.00 N ATOM 1755 CZ ARG B 20 81.232 8.491 -17.603 1.00 0.00 C ATOM 1756 NH1 ARG B 20 80.163 8.040 -17.006 1.00 0.00 N ATOM 1757 NH2 ARG B 20 81.376 9.772 -17.797 1.00 0.00 N ATOM 0 H ARG B 20 83.976 3.794 -14.837 1.00 0.00 H new ATOM 0 HA ARG B 20 84.242 4.353 -17.720 1.00 0.00 H new ATOM 0 HB2 ARG B 20 84.295 6.107 -15.217 1.00 0.00 H new ATOM 0 HB3 ARG B 20 84.383 6.729 -16.853 1.00 0.00 H new ATOM 0 HG2 ARG B 20 82.103 4.873 -16.067 1.00 0.00 H new ATOM 0 HG3 ARG B 20 82.025 6.572 -15.645 1.00 0.00 H new ATOM 0 HD2 ARG B 20 82.594 5.637 -18.500 1.00 0.00 H new ATOM 0 HD3 ARG B 20 80.963 5.900 -17.914 1.00 0.00 H new ATOM 0 HE ARG B 20 82.985 8.016 -18.483 1.00 0.00 H new ATOM 0 HH11 ARG B 20 80.048 7.038 -16.854 1.00 0.00 H new ATOM 0 HH12 ARG B 20 79.442 8.690 -16.691 1.00 0.00 H new ATOM 0 HH21 ARG B 20 82.210 10.126 -18.264 1.00 0.00 H new ATOM 0 HH22 ARG B 20 80.654 10.420 -17.481 1.00 0.00 H new ATOM 1771 N GLU B 21 86.762 4.652 -15.595 1.00 0.00 N ATOM 1772 CA GLU B 21 88.251 4.751 -15.532 1.00 0.00 C ATOM 1773 C GLU B 21 88.769 3.948 -14.335 1.00 0.00 C ATOM 1774 O GLU B 21 88.064 3.726 -13.371 1.00 0.00 O ATOM 1775 CB GLU B 21 88.666 6.217 -15.374 1.00 0.00 C ATOM 1776 CG GLU B 21 88.479 6.961 -16.699 1.00 0.00 C ATOM 1777 CD GLU B 21 88.897 8.421 -16.526 1.00 0.00 C ATOM 1778 OE1 GLU B 21 89.149 8.816 -15.398 1.00 0.00 O ATOM 1779 OE2 GLU B 21 88.951 9.124 -17.521 1.00 0.00 O ATOM 0 H GLU B 21 86.300 4.553 -14.691 1.00 0.00 H new ATOM 0 HA GLU B 21 88.675 4.350 -16.453 1.00 0.00 H new ATOM 0 HB2 GLU B 21 88.069 6.690 -14.595 1.00 0.00 H new ATOM 0 HB3 GLU B 21 89.708 6.276 -15.058 1.00 0.00 H new ATOM 0 HG2 GLU B 21 89.076 6.491 -17.480 1.00 0.00 H new ATOM 0 HG3 GLU B 21 87.438 6.905 -17.016 1.00 0.00 H new ATOM 1786 N GLY B 22 90.002 3.523 -14.386 1.00 0.00 N ATOM 1787 CA GLY B 22 90.574 2.747 -13.247 1.00 0.00 C ATOM 1788 C GLY B 22 90.097 1.295 -13.306 1.00 0.00 C ATOM 1789 O GLY B 22 89.479 0.871 -14.262 1.00 0.00 O ATOM 0 H GLY B 22 90.639 3.679 -15.167 1.00 0.00 H new ATOM 0 HA2 GLY B 22 91.663 2.782 -13.284 1.00 0.00 H new ATOM 0 HA3 GLY B 22 90.273 3.199 -12.302 1.00 0.00 H new ATOM 1793 N ASP B 23 90.381 0.531 -12.286 1.00 0.00 N ATOM 1794 CA ASP B 23 89.950 -0.895 -12.272 1.00 0.00 C ATOM 1795 C ASP B 23 88.477 -0.982 -11.865 1.00 0.00 C ATOM 1796 O ASP B 23 87.977 -0.155 -11.129 1.00 0.00 O ATOM 1797 CB ASP B 23 90.796 -1.674 -11.263 1.00 0.00 C ATOM 1798 CG ASP B 23 92.233 -1.788 -11.776 1.00 0.00 C ATOM 1799 OD1 ASP B 23 92.444 -1.538 -12.952 1.00 0.00 O ATOM 1800 OD2 ASP B 23 93.099 -2.118 -10.982 1.00 0.00 O ATOM 0 H ASP B 23 90.895 0.835 -11.459 1.00 0.00 H new ATOM 0 HA ASP B 23 90.080 -1.320 -13.267 1.00 0.00 H new ATOM 0 HB2 ASP B 23 90.783 -1.170 -10.297 1.00 0.00 H new ATOM 0 HB3 ASP B 23 90.374 -2.667 -11.110 1.00 0.00 H new ATOM 1805 N LYS B 24 87.779 -1.979 -12.337 1.00 0.00 N ATOM 1806 CA LYS B 24 86.339 -2.120 -11.973 1.00 0.00 C ATOM 1807 C LYS B 24 86.213 -2.616 -10.532 1.00 0.00 C ATOM 1808 O LYS B 24 86.927 -3.507 -10.122 1.00 0.00 O ATOM 1809 CB LYS B 24 85.674 -3.135 -12.904 1.00 0.00 C ATOM 1810 CG LYS B 24 85.577 -2.555 -14.314 1.00 0.00 C ATOM 1811 CD LYS B 24 84.909 -3.577 -15.235 1.00 0.00 C ATOM 1812 CE LYS B 24 84.811 -3.000 -16.647 1.00 0.00 C ATOM 1813 NZ LYS B 24 83.955 -1.781 -16.622 1.00 0.00 N ATOM 0 H LYS B 24 88.143 -2.702 -12.958 1.00 0.00 H new ATOM 0 HA LYS B 24 85.852 -1.150 -12.070 1.00 0.00 H new ATOM 0 HB2 LYS B 24 86.250 -4.060 -12.920 1.00 0.00 H new ATOM 0 HB3 LYS B 24 84.680 -3.385 -12.534 1.00 0.00 H new ATOM 0 HG2 LYS B 24 85.001 -1.630 -14.300 1.00 0.00 H new ATOM 0 HG3 LYS B 24 86.571 -2.307 -14.687 1.00 0.00 H new ATOM 0 HD2 LYS B 24 85.485 -4.503 -15.248 1.00 0.00 H new ATOM 0 HD3 LYS B 24 83.915 -3.825 -14.862 1.00 0.00 H new ATOM 0 HE2 LYS B 24 85.805 -2.753 -17.021 1.00 0.00 H new ATOM 0 HE3 LYS B 24 84.389 -3.741 -17.327 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 83.335 -1.775 -17.457 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 83.375 -1.782 -15.759 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 84.558 -0.933 -16.633 1.00 0.00 H new ATOM 1827 N HIS B 25 85.301 -2.033 -9.780 1.00 0.00 N ATOM 1828 CA HIS B 25 85.052 -2.414 -8.348 1.00 0.00 C ATOM 1829 C HIS B 25 85.864 -1.521 -7.404 1.00 0.00 C ATOM 1830 O HIS B 25 85.603 -1.474 -6.219 1.00 0.00 O ATOM 1831 CB HIS B 25 85.411 -3.884 -8.104 1.00 0.00 C ATOM 1832 CG HIS B 25 84.691 -4.395 -6.882 1.00 0.00 C ATOM 1833 ND1 HIS B 25 85.236 -4.292 -5.608 1.00 0.00 N ATOM 1834 CD2 HIS B 25 83.474 -5.011 -6.720 1.00 0.00 C ATOM 1835 CE1 HIS B 25 84.357 -4.833 -4.745 1.00 0.00 C ATOM 1836 NE2 HIS B 25 83.269 -5.284 -5.372 1.00 0.00 N ATOM 0 H HIS B 25 84.698 -1.281 -10.115 1.00 0.00 H new ATOM 0 HA HIS B 25 83.990 -2.274 -8.145 1.00 0.00 H new ATOM 0 HB2 HIS B 25 85.139 -4.482 -8.973 1.00 0.00 H new ATOM 0 HB3 HIS B 25 86.488 -3.987 -7.971 1.00 0.00 H new ATOM 0 HD2 HIS B 25 82.783 -5.247 -7.516 1.00 0.00 H new ATOM 0 HE1 HIS B 25 84.513 -4.895 -3.678 1.00 0.00 H new ATOM 0 HE2 HIS B 25 82.457 -5.735 -4.951 1.00 0.00 H new ATOM 1845 N LYS B 26 86.844 -0.813 -7.913 1.00 0.00 N ATOM 1846 CA LYS B 26 87.670 0.081 -7.035 1.00 0.00 C ATOM 1847 C LYS B 26 87.359 1.548 -7.350 1.00 0.00 C ATOM 1848 O LYS B 26 87.602 2.021 -8.441 1.00 0.00 O ATOM 1849 CB LYS B 26 89.152 -0.191 -7.297 1.00 0.00 C ATOM 1850 CG LYS B 26 89.520 -1.574 -6.750 1.00 0.00 C ATOM 1851 CD LYS B 26 91.001 -1.850 -7.010 1.00 0.00 C ATOM 1852 CE LYS B 26 91.372 -3.231 -6.463 1.00 0.00 C ATOM 1853 NZ LYS B 26 91.341 -3.202 -4.973 1.00 0.00 N ATOM 0 H LYS B 26 87.109 -0.814 -8.898 1.00 0.00 H new ATOM 0 HA LYS B 26 87.436 -0.119 -5.989 1.00 0.00 H new ATOM 0 HB2 LYS B 26 89.358 -0.144 -8.366 1.00 0.00 H new ATOM 0 HB3 LYS B 26 89.764 0.575 -6.820 1.00 0.00 H new ATOM 0 HG2 LYS B 26 89.313 -1.620 -5.681 1.00 0.00 H new ATOM 0 HG3 LYS B 26 88.908 -2.340 -7.227 1.00 0.00 H new ATOM 0 HD2 LYS B 26 91.207 -1.804 -8.079 1.00 0.00 H new ATOM 0 HD3 LYS B 26 91.613 -1.083 -6.534 1.00 0.00 H new ATOM 0 HE2 LYS B 26 90.675 -3.981 -6.837 1.00 0.00 H new ATOM 0 HE3 LYS B 26 92.365 -3.517 -6.811 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 92.232 -3.588 -4.600 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 91.225 -2.221 -4.647 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 90.544 -3.777 -4.631 1.00 0.00 H new ATOM 1867 N LEU B 27 86.819 2.273 -6.402 1.00 0.00 N ATOM 1868 CA LEU B 27 86.489 3.713 -6.648 1.00 0.00 C ATOM 1869 C LEU B 27 87.648 4.590 -6.164 1.00 0.00 C ATOM 1870 O LEU B 27 88.013 4.582 -5.005 1.00 0.00 O ATOM 1871 CB LEU B 27 85.210 4.079 -5.882 1.00 0.00 C ATOM 1872 CG LEU B 27 83.960 3.647 -6.671 1.00 0.00 C ATOM 1873 CD1 LEU B 27 83.752 4.550 -7.906 1.00 0.00 C ATOM 1874 CD2 LEU B 27 84.112 2.185 -7.116 1.00 0.00 C ATOM 0 H LEU B 27 86.592 1.931 -5.468 1.00 0.00 H new ATOM 0 HA LEU B 27 86.332 3.877 -7.714 1.00 0.00 H new ATOM 0 HB2 LEU B 27 85.214 3.596 -4.905 1.00 0.00 H new ATOM 0 HB3 LEU B 27 85.181 5.154 -5.705 1.00 0.00 H new ATOM 0 HG LEU B 27 83.089 3.744 -6.023 1.00 0.00 H new ATOM 0 HD11 LEU B 27 82.863 4.226 -8.448 1.00 0.00 H new ATOM 0 HD12 LEU B 27 83.624 5.583 -7.584 1.00 0.00 H new ATOM 0 HD13 LEU B 27 84.622 4.479 -8.559 1.00 0.00 H new ATOM 0 HD21 LEU B 27 83.227 1.881 -7.674 1.00 0.00 H new ATOM 0 HD22 LEU B 27 84.993 2.088 -7.751 1.00 0.00 H new ATOM 0 HD23 LEU B 27 84.225 1.548 -6.239 1.00 0.00 H new ATOM 1886 N LYS B 28 88.225 5.348 -7.059 1.00 0.00 N ATOM 1887 CA LYS B 28 89.364 6.238 -6.688 1.00 0.00 C ATOM 1888 C LYS B 28 88.820 7.615 -6.283 1.00 0.00 C ATOM 1889 O LYS B 28 87.680 7.944 -6.546 1.00 0.00 O ATOM 1890 CB LYS B 28 90.295 6.371 -7.899 1.00 0.00 C ATOM 1891 CG LYS B 28 91.601 7.061 -7.498 1.00 0.00 C ATOM 1892 CD LYS B 28 92.545 7.094 -8.704 1.00 0.00 C ATOM 1893 CE LYS B 28 93.854 7.787 -8.321 1.00 0.00 C ATOM 1894 NZ LYS B 28 93.599 9.237 -8.101 1.00 0.00 N ATOM 0 H LYS B 28 87.953 5.389 -8.041 1.00 0.00 H new ATOM 0 HA LYS B 28 89.917 5.818 -5.848 1.00 0.00 H new ATOM 0 HB2 LYS B 28 90.509 5.385 -8.310 1.00 0.00 H new ATOM 0 HB3 LYS B 28 89.801 6.943 -8.684 1.00 0.00 H new ATOM 0 HG2 LYS B 28 91.399 8.075 -7.151 1.00 0.00 H new ATOM 0 HG3 LYS B 28 92.068 6.528 -6.670 1.00 0.00 H new ATOM 0 HD2 LYS B 28 92.747 6.079 -9.047 1.00 0.00 H new ATOM 0 HD3 LYS B 28 92.073 7.622 -9.532 1.00 0.00 H new ATOM 0 HE2 LYS B 28 94.266 7.338 -7.417 1.00 0.00 H new ATOM 0 HE3 LYS B 28 94.594 7.652 -9.110 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 94.500 9.756 -8.127 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 92.971 9.596 -8.848 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 93.147 9.373 -7.174 1.00 0.00 H new ATOM 1908 N LYS B 29 89.616 8.411 -5.620 1.00 0.00 N ATOM 1909 CA LYS B 29 89.138 9.752 -5.170 1.00 0.00 C ATOM 1910 C LYS B 29 88.648 10.574 -6.369 1.00 0.00 C ATOM 1911 O LYS B 29 87.601 11.188 -6.320 1.00 0.00 O ATOM 1912 CB LYS B 29 90.305 10.484 -4.507 1.00 0.00 C ATOM 1913 CG LYS B 29 90.771 9.690 -3.286 1.00 0.00 C ATOM 1914 CD LYS B 29 91.940 10.415 -2.618 1.00 0.00 C ATOM 1915 CE LYS B 29 92.403 9.619 -1.396 1.00 0.00 C ATOM 1916 NZ LYS B 29 93.638 10.238 -0.834 1.00 0.00 N ATOM 0 H LYS B 29 90.580 8.190 -5.370 1.00 0.00 H new ATOM 0 HA LYS B 29 88.313 9.626 -4.469 1.00 0.00 H new ATOM 0 HB2 LYS B 29 91.126 10.600 -5.215 1.00 0.00 H new ATOM 0 HB3 LYS B 29 89.998 11.486 -4.208 1.00 0.00 H new ATOM 0 HG2 LYS B 29 89.949 9.575 -2.579 1.00 0.00 H new ATOM 0 HG3 LYS B 29 91.076 8.687 -3.586 1.00 0.00 H new ATOM 0 HD2 LYS B 29 92.763 10.529 -3.324 1.00 0.00 H new ATOM 0 HD3 LYS B 29 91.636 11.418 -2.318 1.00 0.00 H new ATOM 0 HE2 LYS B 29 91.617 9.602 -0.641 1.00 0.00 H new ATOM 0 HE3 LYS B 29 92.598 8.584 -1.676 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 93.951 9.696 -0.004 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 94.388 10.232 -1.554 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 93.437 11.219 -0.551 1.00 0.00 H new ATOM 1930 N SER B 30 89.382 10.585 -7.449 1.00 0.00 N ATOM 1931 CA SER B 30 88.930 11.360 -8.642 1.00 0.00 C ATOM 1932 C SER B 30 87.587 10.804 -9.111 1.00 0.00 C ATOM 1933 O SER B 30 86.690 11.530 -9.485 1.00 0.00 O ATOM 1934 CB SER B 30 89.957 11.227 -9.769 1.00 0.00 C ATOM 1935 OG SER B 30 89.572 12.063 -10.853 1.00 0.00 O ATOM 0 H SER B 30 90.270 10.094 -7.558 1.00 0.00 H new ATOM 0 HA SER B 30 88.827 12.412 -8.377 1.00 0.00 H new ATOM 0 HB2 SER B 30 90.947 11.509 -9.410 1.00 0.00 H new ATOM 0 HB3 SER B 30 90.021 10.190 -10.099 1.00 0.00 H new ATOM 0 HG SER B 30 90.228 11.983 -11.577 1.00 0.00 H new ATOM 1941 N GLU B 31 87.453 9.510 -9.077 1.00 0.00 N ATOM 1942 CA GLU B 31 86.179 8.868 -9.504 1.00 0.00 C ATOM 1943 C GLU B 31 85.079 9.221 -8.498 1.00 0.00 C ATOM 1944 O GLU B 31 83.936 9.429 -8.855 1.00 0.00 O ATOM 1945 CB GLU B 31 86.368 7.351 -9.548 1.00 0.00 C ATOM 1946 CG GLU B 31 87.350 6.998 -10.666 1.00 0.00 C ATOM 1947 CD GLU B 31 87.662 5.501 -10.618 1.00 0.00 C ATOM 1948 OE1 GLU B 31 87.076 4.820 -9.793 1.00 0.00 O ATOM 1949 OE2 GLU B 31 88.481 5.061 -11.408 1.00 0.00 O ATOM 0 H GLU B 31 88.178 8.862 -8.769 1.00 0.00 H new ATOM 0 HA GLU B 31 85.896 9.226 -10.494 1.00 0.00 H new ATOM 0 HB2 GLU B 31 86.745 6.992 -8.590 1.00 0.00 H new ATOM 0 HB3 GLU B 31 85.411 6.858 -9.719 1.00 0.00 H new ATOM 0 HG2 GLU B 31 86.924 7.261 -11.635 1.00 0.00 H new ATOM 0 HG3 GLU B 31 88.268 7.575 -10.554 1.00 0.00 H new ATOM 1956 N LEU B 32 85.427 9.301 -7.243 1.00 0.00 N ATOM 1957 CA LEU B 32 84.408 9.657 -6.212 1.00 0.00 C ATOM 1958 C LEU B 32 83.998 11.128 -6.369 1.00 0.00 C ATOM 1959 O LEU B 32 82.839 11.473 -6.261 1.00 0.00 O ATOM 1960 CB LEU B 32 84.977 9.414 -4.808 1.00 0.00 C ATOM 1961 CG LEU B 32 83.972 9.866 -3.735 1.00 0.00 C ATOM 1962 CD1 LEU B 32 82.627 9.149 -3.922 1.00 0.00 C ATOM 1963 CD2 LEU B 32 84.535 9.527 -2.351 1.00 0.00 C ATOM 0 H LEU B 32 86.368 9.136 -6.887 1.00 0.00 H new ATOM 0 HA LEU B 32 83.528 9.029 -6.349 1.00 0.00 H new ATOM 0 HB2 LEU B 32 85.204 8.356 -4.679 1.00 0.00 H new ATOM 0 HB3 LEU B 32 85.914 9.958 -4.690 1.00 0.00 H new ATOM 0 HG LEU B 32 83.813 10.940 -3.827 1.00 0.00 H new ATOM 0 HD11 LEU B 32 81.928 9.481 -3.154 1.00 0.00 H new ATOM 0 HD12 LEU B 32 82.223 9.384 -4.907 1.00 0.00 H new ATOM 0 HD13 LEU B 32 82.774 8.072 -3.838 1.00 0.00 H new ATOM 0 HD21 LEU B 32 83.829 9.844 -1.583 1.00 0.00 H new ATOM 0 HD22 LEU B 32 84.694 8.451 -2.276 1.00 0.00 H new ATOM 0 HD23 LEU B 32 85.484 10.044 -2.207 1.00 0.00 H new ATOM 1975 N LYS B 33 84.942 11.994 -6.624 1.00 0.00 N ATOM 1976 CA LYS B 33 84.610 13.440 -6.788 1.00 0.00 C ATOM 1977 C LYS B 33 83.686 13.623 -7.995 1.00 0.00 C ATOM 1978 O LYS B 33 82.760 14.409 -7.971 1.00 0.00 O ATOM 1979 CB LYS B 33 85.895 14.248 -6.989 1.00 0.00 C ATOM 1980 CG LYS B 33 85.557 15.739 -7.003 1.00 0.00 C ATOM 1981 CD LYS B 33 86.837 16.556 -7.183 1.00 0.00 C ATOM 1982 CE LYS B 33 86.523 18.041 -6.995 1.00 0.00 C ATOM 1983 NZ LYS B 33 86.179 18.295 -5.566 1.00 0.00 N ATOM 0 H LYS B 33 85.930 11.763 -6.726 1.00 0.00 H new ATOM 0 HA LYS B 33 84.103 13.796 -5.891 1.00 0.00 H new ATOM 0 HB2 LYS B 33 86.603 14.031 -6.189 1.00 0.00 H new ATOM 0 HB3 LYS B 33 86.375 13.963 -7.925 1.00 0.00 H new ATOM 0 HG2 LYS B 33 84.859 15.956 -7.812 1.00 0.00 H new ATOM 0 HG3 LYS B 33 85.063 16.019 -6.072 1.00 0.00 H new ATOM 0 HD2 LYS B 33 87.589 16.238 -6.461 1.00 0.00 H new ATOM 0 HD3 LYS B 33 87.255 16.384 -8.175 1.00 0.00 H new ATOM 0 HE2 LYS B 33 87.381 18.646 -7.287 1.00 0.00 H new ATOM 0 HE3 LYS B 33 85.693 18.333 -7.638 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 85.281 18.816 -5.513 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 86.084 17.388 -5.065 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 86.933 18.858 -5.122 1.00 0.00 H new ATOM 1997 N GLU B 34 83.940 12.904 -9.052 1.00 0.00 N ATOM 1998 CA GLU B 34 83.085 13.038 -10.267 1.00 0.00 C ATOM 1999 C GLU B 34 81.637 12.682 -9.922 1.00 0.00 C ATOM 2000 O GLU B 34 80.710 13.345 -10.341 1.00 0.00 O ATOM 2001 CB GLU B 34 83.594 12.088 -11.354 1.00 0.00 C ATOM 2002 CG GLU B 34 84.932 12.596 -11.900 1.00 0.00 C ATOM 2003 CD GLU B 34 84.697 13.845 -12.752 1.00 0.00 C ATOM 2004 OE1 GLU B 34 83.602 13.987 -13.271 1.00 0.00 O ATOM 2005 OE2 GLU B 34 85.616 14.638 -12.873 1.00 0.00 O ATOM 0 H GLU B 34 84.701 12.230 -9.129 1.00 0.00 H new ATOM 0 HA GLU B 34 83.129 14.066 -10.627 1.00 0.00 H new ATOM 0 HB2 GLU B 34 83.714 11.084 -10.946 1.00 0.00 H new ATOM 0 HB3 GLU B 34 82.864 12.019 -12.161 1.00 0.00 H new ATOM 0 HG2 GLU B 34 85.608 12.827 -11.077 1.00 0.00 H new ATOM 0 HG3 GLU B 34 85.411 11.820 -12.498 1.00 0.00 H new ATOM 2012 N LEU B 35 81.435 11.634 -9.179 1.00 0.00 N ATOM 2013 CA LEU B 35 80.046 11.226 -8.826 1.00 0.00 C ATOM 2014 C LEU B 35 79.356 12.359 -8.058 1.00 0.00 C ATOM 2015 O LEU B 35 78.200 12.658 -8.284 1.00 0.00 O ATOM 2016 CB LEU B 35 80.109 9.966 -7.954 1.00 0.00 C ATOM 2017 CG LEU B 35 78.698 9.506 -7.565 1.00 0.00 C ATOM 2018 CD1 LEU B 35 77.896 9.142 -8.827 1.00 0.00 C ATOM 2019 CD2 LEU B 35 78.813 8.278 -6.655 1.00 0.00 C ATOM 0 H LEU B 35 82.172 11.040 -8.799 1.00 0.00 H new ATOM 0 HA LEU B 35 79.477 11.018 -9.732 1.00 0.00 H new ATOM 0 HB2 LEU B 35 80.621 9.169 -8.494 1.00 0.00 H new ATOM 0 HB3 LEU B 35 80.692 10.168 -7.055 1.00 0.00 H new ATOM 0 HG LEU B 35 78.182 10.311 -7.042 1.00 0.00 H new ATOM 0 HD11 LEU B 35 76.896 8.817 -8.541 1.00 0.00 H new ATOM 0 HD12 LEU B 35 77.822 10.015 -9.476 1.00 0.00 H new ATOM 0 HD13 LEU B 35 78.401 8.336 -9.359 1.00 0.00 H new ATOM 0 HD21 LEU B 35 77.816 7.941 -6.371 1.00 0.00 H new ATOM 0 HD22 LEU B 35 79.329 7.478 -7.187 1.00 0.00 H new ATOM 0 HD23 LEU B 35 79.376 8.540 -5.759 1.00 0.00 H new ATOM 2031 N ILE B 36 80.051 12.987 -7.153 1.00 0.00 N ATOM 2032 CA ILE B 36 79.431 14.095 -6.373 1.00 0.00 C ATOM 2033 C ILE B 36 79.146 15.283 -7.298 1.00 0.00 C ATOM 2034 O ILE B 36 78.128 15.939 -7.196 1.00 0.00 O ATOM 2035 CB ILE B 36 80.403 14.528 -5.275 1.00 0.00 C ATOM 2036 CG1 ILE B 36 80.620 13.362 -4.307 1.00 0.00 C ATOM 2037 CG2 ILE B 36 79.828 15.725 -4.516 1.00 0.00 C ATOM 2038 CD1 ILE B 36 81.776 13.689 -3.362 1.00 0.00 C ATOM 0 H ILE B 36 81.022 12.782 -6.919 1.00 0.00 H new ATOM 0 HA ILE B 36 78.495 13.754 -5.931 1.00 0.00 H new ATOM 0 HB ILE B 36 81.354 14.815 -5.724 1.00 0.00 H new ATOM 0 HG12 ILE B 36 79.711 13.177 -3.735 1.00 0.00 H new ATOM 0 HG13 ILE B 36 80.838 12.450 -4.863 1.00 0.00 H new ATOM 0 HG21 ILE B 36 80.525 16.029 -3.735 1.00 0.00 H new ATOM 0 HG22 ILE B 36 79.673 16.554 -5.207 1.00 0.00 H new ATOM 0 HG23 ILE B 36 78.876 15.446 -4.064 1.00 0.00 H new ATOM 0 HD11 ILE B 36 81.929 12.858 -2.673 1.00 0.00 H new ATOM 0 HD12 ILE B 36 82.685 13.852 -3.942 1.00 0.00 H new ATOM 0 HD13 ILE B 36 81.540 14.590 -2.796 1.00 0.00 H new ATOM 2050 N ASN B 37 80.050 15.565 -8.193 1.00 0.00 N ATOM 2051 CA ASN B 37 79.870 16.711 -9.131 1.00 0.00 C ATOM 2052 C ASN B 37 78.941 16.326 -10.284 1.00 0.00 C ATOM 2053 O ASN B 37 78.414 17.173 -10.976 1.00 0.00 O ATOM 2054 CB ASN B 37 81.232 17.091 -9.705 1.00 0.00 C ATOM 2055 CG ASN B 37 81.075 18.277 -10.658 1.00 0.00 C ATOM 2056 OD1 ASN B 37 81.603 18.264 -11.752 1.00 0.00 O ATOM 2057 ND2 ASN B 37 80.364 19.306 -10.288 1.00 0.00 N ATOM 0 H ASN B 37 80.918 15.044 -8.317 1.00 0.00 H new ATOM 0 HA ASN B 37 79.430 17.547 -8.588 1.00 0.00 H new ATOM 0 HB2 ASN B 37 81.919 17.348 -8.899 1.00 0.00 H new ATOM 0 HB3 ASN B 37 81.665 16.242 -10.234 1.00 0.00 H new ATOM 0 HD21 ASN B 37 80.251 20.101 -10.917 1.00 0.00 H new ATOM 0 HD22 ASN B 37 79.921 19.316 -9.369 1.00 0.00 H new ATOM 2064 N ASN B 38 78.774 15.059 -10.528 1.00 0.00 N ATOM 2065 CA ASN B 38 77.922 14.627 -11.675 1.00 0.00 C ATOM 2066 C ASN B 38 76.494 15.175 -11.553 1.00 0.00 C ATOM 2067 O ASN B 38 76.011 15.840 -12.448 1.00 0.00 O ATOM 2068 CB ASN B 38 77.871 13.099 -11.705 1.00 0.00 C ATOM 2069 CG ASN B 38 77.046 12.640 -12.908 1.00 0.00 C ATOM 2070 OD1 ASN B 38 76.753 13.420 -13.791 1.00 0.00 O ATOM 2071 ND2 ASN B 38 76.659 11.396 -12.980 1.00 0.00 N ATOM 0 H ASN B 38 79.189 14.302 -9.985 1.00 0.00 H new ATOM 0 HA ASN B 38 78.358 15.018 -12.594 1.00 0.00 H new ATOM 0 HB2 ASN B 38 78.880 12.692 -11.766 1.00 0.00 H new ATOM 0 HB3 ASN B 38 77.430 12.721 -10.783 1.00 0.00 H new ATOM 0 HD21 ASN B 38 76.110 11.078 -13.779 1.00 0.00 H new ATOM 0 HD22 ASN B 38 76.906 10.741 -12.238 1.00 0.00 H new ATOM 2078 N GLU B 39 75.802 14.898 -10.477 1.00 0.00 N ATOM 2079 CA GLU B 39 74.396 15.407 -10.345 1.00 0.00 C ATOM 2080 C GLU B 39 74.091 15.766 -8.887 1.00 0.00 C ATOM 2081 O GLU B 39 73.045 16.302 -8.581 1.00 0.00 O ATOM 2082 CB GLU B 39 73.419 14.321 -10.814 1.00 0.00 C ATOM 2083 CG GLU B 39 73.519 14.155 -12.334 1.00 0.00 C ATOM 2084 CD GLU B 39 72.545 13.071 -12.796 1.00 0.00 C ATOM 2085 OE1 GLU B 39 72.000 12.391 -11.945 1.00 0.00 O ATOM 2086 OE2 GLU B 39 72.367 12.936 -13.996 1.00 0.00 O ATOM 0 H GLU B 39 76.142 14.347 -9.689 1.00 0.00 H new ATOM 0 HA GLU B 39 74.285 16.301 -10.959 1.00 0.00 H new ATOM 0 HB2 GLU B 39 73.646 13.376 -10.320 1.00 0.00 H new ATOM 0 HB3 GLU B 39 72.400 14.590 -10.534 1.00 0.00 H new ATOM 0 HG2 GLU B 39 73.290 15.099 -12.829 1.00 0.00 H new ATOM 0 HG3 GLU B 39 74.538 13.887 -12.615 1.00 0.00 H new ATOM 2093 N LEU B 40 74.988 15.477 -7.982 1.00 0.00 N ATOM 2094 CA LEU B 40 74.729 15.804 -6.547 1.00 0.00 C ATOM 2095 C LEU B 40 75.266 17.204 -6.245 1.00 0.00 C ATOM 2096 O LEU B 40 76.431 17.488 -6.446 1.00 0.00 O ATOM 2097 CB LEU B 40 75.440 14.782 -5.655 1.00 0.00 C ATOM 2098 CG LEU B 40 75.091 15.028 -4.178 1.00 0.00 C ATOM 2099 CD1 LEU B 40 73.594 14.758 -3.929 1.00 0.00 C ATOM 2100 CD2 LEU B 40 75.937 14.094 -3.305 1.00 0.00 C ATOM 0 H LEU B 40 75.885 15.031 -8.172 1.00 0.00 H new ATOM 0 HA LEU B 40 73.657 15.772 -6.351 1.00 0.00 H new ATOM 0 HB2 LEU B 40 75.146 13.772 -5.942 1.00 0.00 H new ATOM 0 HB3 LEU B 40 76.518 14.853 -5.798 1.00 0.00 H new ATOM 0 HG LEU B 40 75.303 16.067 -3.925 1.00 0.00 H new ATOM 0 HD11 LEU B 40 73.362 14.936 -2.879 1.00 0.00 H new ATOM 0 HD12 LEU B 40 72.996 15.424 -4.551 1.00 0.00 H new ATOM 0 HD13 LEU B 40 73.364 13.723 -4.181 1.00 0.00 H new ATOM 0 HD21 LEU B 40 75.697 14.261 -2.255 1.00 0.00 H new ATOM 0 HD22 LEU B 40 75.722 13.058 -3.566 1.00 0.00 H new ATOM 0 HD23 LEU B 40 76.995 14.298 -3.472 1.00 0.00 H new ATOM 2112 N SER B 41 74.427 18.082 -5.767 1.00 0.00 N ATOM 2113 CA SER B 41 74.891 19.465 -5.457 1.00 0.00 C ATOM 2114 C SER B 41 73.930 20.137 -4.470 1.00 0.00 C ATOM 2115 O SER B 41 74.321 20.987 -3.695 1.00 0.00 O ATOM 2116 CB SER B 41 74.941 20.278 -6.751 1.00 0.00 C ATOM 2117 OG SER B 41 75.112 21.655 -6.436 1.00 0.00 O ATOM 0 H SER B 41 73.441 17.902 -5.578 1.00 0.00 H new ATOM 0 HA SER B 41 75.883 19.418 -5.008 1.00 0.00 H new ATOM 0 HB2 SER B 41 75.762 19.932 -7.379 1.00 0.00 H new ATOM 0 HB3 SER B 41 74.022 20.135 -7.320 1.00 0.00 H new ATOM 0 HG SER B 41 75.146 22.178 -7.264 1.00 0.00 H new ATOM 2123 N HIS B 42 72.676 19.770 -4.492 1.00 0.00 N ATOM 2124 CA HIS B 42 71.699 20.399 -3.556 1.00 0.00 C ATOM 2125 C HIS B 42 72.009 19.960 -2.123 1.00 0.00 C ATOM 2126 O HIS B 42 71.662 20.630 -1.171 1.00 0.00 O ATOM 2127 CB HIS B 42 70.282 19.950 -3.916 1.00 0.00 C ATOM 2128 CG HIS B 42 69.883 20.527 -5.246 1.00 0.00 C ATOM 2129 ND1 HIS B 42 69.564 21.869 -5.409 1.00 0.00 N ATOM 2130 CD2 HIS B 42 69.729 19.951 -6.482 1.00 0.00 C ATOM 2131 CE1 HIS B 42 69.235 22.053 -6.701 1.00 0.00 C ATOM 2132 NE2 HIS B 42 69.320 20.916 -7.395 1.00 0.00 N ATOM 0 H HIS B 42 72.287 19.063 -5.116 1.00 0.00 H new ATOM 0 HA HIS B 42 71.774 21.484 -3.636 1.00 0.00 H new ATOM 0 HB2 HIS B 42 70.235 18.862 -3.953 1.00 0.00 H new ATOM 0 HB3 HIS B 42 69.582 20.273 -3.145 1.00 0.00 H new ATOM 0 HD2 HIS B 42 69.899 18.909 -6.710 1.00 0.00 H new ATOM 0 HE1 HIS B 42 68.939 23.002 -7.123 1.00 0.00 H new ATOM 0 HE2 HIS B 42 69.126 20.783 -8.387 1.00 0.00 H new ATOM 2141 N PHE B 43 72.650 18.831 -1.964 1.00 0.00 N ATOM 2142 CA PHE B 43 72.973 18.333 -0.590 1.00 0.00 C ATOM 2143 C PHE B 43 74.427 18.666 -0.246 1.00 0.00 C ATOM 2144 O PHE B 43 74.815 18.659 0.905 1.00 0.00 O ATOM 2145 CB PHE B 43 72.782 16.814 -0.538 1.00 0.00 C ATOM 2146 CG PHE B 43 71.310 16.471 -0.613 1.00 0.00 C ATOM 2147 CD1 PHE B 43 70.696 16.260 -1.855 1.00 0.00 C ATOM 2148 CD2 PHE B 43 70.562 16.350 0.565 1.00 0.00 C ATOM 2149 CE1 PHE B 43 69.336 15.928 -1.918 1.00 0.00 C ATOM 2150 CE2 PHE B 43 69.201 16.021 0.502 1.00 0.00 C ATOM 2151 CZ PHE B 43 68.588 15.809 -0.739 1.00 0.00 C ATOM 0 H PHE B 43 72.965 18.231 -2.726 1.00 0.00 H new ATOM 0 HA PHE B 43 72.309 18.814 0.128 1.00 0.00 H new ATOM 0 HB2 PHE B 43 73.315 16.344 -1.365 1.00 0.00 H new ATOM 0 HB3 PHE B 43 73.209 16.417 0.383 1.00 0.00 H new ATOM 0 HD1 PHE B 43 71.271 16.353 -2.764 1.00 0.00 H new ATOM 0 HD2 PHE B 43 71.034 16.510 1.523 1.00 0.00 H new ATOM 0 HE1 PHE B 43 68.864 15.764 -2.876 1.00 0.00 H new ATOM 0 HE2 PHE B 43 68.625 15.931 1.411 1.00 0.00 H new ATOM 0 HZ PHE B 43 67.540 15.554 -0.787 1.00 0.00 H new ATOM 2161 N LEU B 44 75.232 18.973 -1.232 1.00 0.00 N ATOM 2162 CA LEU B 44 76.664 19.324 -0.963 1.00 0.00 C ATOM 2163 C LEU B 44 77.075 20.480 -1.876 1.00 0.00 C ATOM 2164 O LEU B 44 77.195 20.316 -3.075 1.00 0.00 O ATOM 2165 CB LEU B 44 77.561 18.120 -1.268 1.00 0.00 C ATOM 2166 CG LEU B 44 77.237 16.943 -0.330 1.00 0.00 C ATOM 2167 CD1 LEU B 44 77.979 15.689 -0.811 1.00 0.00 C ATOM 2168 CD2 LEU B 44 77.674 17.274 1.111 1.00 0.00 C ATOM 0 H LEU B 44 74.960 18.996 -2.215 1.00 0.00 H new ATOM 0 HA LEU B 44 76.773 19.607 0.084 1.00 0.00 H new ATOM 0 HB2 LEU B 44 77.424 17.813 -2.305 1.00 0.00 H new ATOM 0 HB3 LEU B 44 78.608 18.403 -1.155 1.00 0.00 H new ATOM 0 HG LEU B 44 76.162 16.765 -0.343 1.00 0.00 H new ATOM 0 HD11 LEU B 44 77.751 14.854 -0.148 1.00 0.00 H new ATOM 0 HD12 LEU B 44 77.661 15.445 -1.825 1.00 0.00 H new ATOM 0 HD13 LEU B 44 79.053 15.876 -0.803 1.00 0.00 H new ATOM 0 HD21 LEU B 44 77.439 16.434 1.764 1.00 0.00 H new ATOM 0 HD22 LEU B 44 78.748 17.461 1.132 1.00 0.00 H new ATOM 0 HD23 LEU B 44 77.144 18.162 1.457 1.00 0.00 H new ATOM 2180 N GLU B 45 77.302 21.647 -1.321 1.00 0.00 N ATOM 2181 CA GLU B 45 77.717 22.822 -2.149 1.00 0.00 C ATOM 2182 C GLU B 45 79.180 23.164 -1.853 1.00 0.00 C ATOM 2183 O GLU B 45 79.886 23.685 -2.693 1.00 0.00 O ATOM 2184 CB GLU B 45 76.837 24.027 -1.808 1.00 0.00 C ATOM 2185 CG GLU B 45 77.181 25.188 -2.745 1.00 0.00 C ATOM 2186 CD GLU B 45 76.303 26.394 -2.413 1.00 0.00 C ATOM 2187 OE1 GLU B 45 75.374 26.232 -1.640 1.00 0.00 O ATOM 2188 OE2 GLU B 45 76.575 27.461 -2.940 1.00 0.00 O ATOM 0 H GLU B 45 77.217 21.836 -0.322 1.00 0.00 H new ATOM 0 HA GLU B 45 77.605 22.577 -3.205 1.00 0.00 H new ATOM 0 HB2 GLU B 45 75.784 23.763 -1.909 1.00 0.00 H new ATOM 0 HB3 GLU B 45 76.993 24.324 -0.771 1.00 0.00 H new ATOM 0 HG2 GLU B 45 78.233 25.452 -2.641 1.00 0.00 H new ATOM 0 HG3 GLU B 45 77.028 24.889 -3.782 1.00 0.00 H new ATOM 2195 N GLU B 46 79.636 22.883 -0.661 1.00 0.00 N ATOM 2196 CA GLU B 46 81.050 23.197 -0.301 1.00 0.00 C ATOM 2197 C GLU B 46 82.002 22.425 -1.224 1.00 0.00 C ATOM 2198 O GLU B 46 81.872 22.453 -2.431 1.00 0.00 O ATOM 2199 CB GLU B 46 81.296 22.792 1.156 1.00 0.00 C ATOM 2200 CG GLU B 46 80.476 23.695 2.081 1.00 0.00 C ATOM 2201 CD GLU B 46 81.064 25.107 2.068 1.00 0.00 C ATOM 2202 OE1 GLU B 46 82.226 25.240 1.719 1.00 0.00 O ATOM 2203 OE2 GLU B 46 80.344 26.031 2.411 1.00 0.00 O ATOM 0 H GLU B 46 79.088 22.448 0.081 1.00 0.00 H new ATOM 0 HA GLU B 46 81.232 24.265 -0.419 1.00 0.00 H new ATOM 0 HB2 GLU B 46 81.017 21.749 1.307 1.00 0.00 H new ATOM 0 HB3 GLU B 46 82.356 22.876 1.394 1.00 0.00 H new ATOM 0 HG2 GLU B 46 79.436 23.720 1.755 1.00 0.00 H new ATOM 0 HG3 GLU B 46 80.482 23.296 3.095 1.00 0.00 H new ATOM 2210 N ILE B 47 82.959 21.733 -0.666 1.00 0.00 N ATOM 2211 CA ILE B 47 83.917 20.961 -1.509 1.00 0.00 C ATOM 2212 C ILE B 47 84.450 21.863 -2.627 1.00 0.00 C ATOM 2213 O ILE B 47 84.233 21.614 -3.796 1.00 0.00 O ATOM 2214 CB ILE B 47 83.195 19.755 -2.127 1.00 0.00 C ATOM 2215 CG1 ILE B 47 82.474 18.964 -1.026 1.00 0.00 C ATOM 2216 CG2 ILE B 47 84.214 18.836 -2.816 1.00 0.00 C ATOM 2217 CD1 ILE B 47 81.581 17.897 -1.665 1.00 0.00 C ATOM 0 H ILE B 47 83.119 21.669 0.339 1.00 0.00 H new ATOM 0 HA ILE B 47 84.747 20.613 -0.894 1.00 0.00 H new ATOM 0 HB ILE B 47 82.471 20.113 -2.859 1.00 0.00 H new ATOM 0 HG12 ILE B 47 83.202 18.495 -0.364 1.00 0.00 H new ATOM 0 HG13 ILE B 47 81.874 19.637 -0.414 1.00 0.00 H new ATOM 0 HG21 ILE B 47 83.697 17.982 -3.253 1.00 0.00 H new ATOM 0 HG22 ILE B 47 84.729 19.389 -3.602 1.00 0.00 H new ATOM 0 HG23 ILE B 47 84.940 18.484 -2.083 1.00 0.00 H new ATOM 0 HD11 ILE B 47 81.069 17.335 -0.884 1.00 0.00 H new ATOM 0 HD12 ILE B 47 80.844 18.377 -2.309 1.00 0.00 H new ATOM 0 HD13 ILE B 47 82.193 17.218 -2.258 1.00 0.00 H new ATOM 2229 N LYS B 48 85.156 22.911 -2.275 1.00 0.00 N ATOM 2230 CA LYS B 48 85.720 23.834 -3.311 1.00 0.00 C ATOM 2231 C LYS B 48 87.220 23.566 -3.459 1.00 0.00 C ATOM 2232 O LYS B 48 87.841 23.968 -4.423 1.00 0.00 O ATOM 2233 CB LYS B 48 85.496 25.284 -2.874 1.00 0.00 C ATOM 2234 CG LYS B 48 86.238 25.550 -1.563 1.00 0.00 C ATOM 2235 CD LYS B 48 85.802 26.906 -0.998 1.00 0.00 C ATOM 2236 CE LYS B 48 86.133 28.019 -1.999 1.00 0.00 C ATOM 2237 NZ LYS B 48 86.180 29.325 -1.287 1.00 0.00 N ATOM 0 H LYS B 48 85.367 23.168 -1.311 1.00 0.00 H new ATOM 0 HA LYS B 48 85.224 23.665 -4.267 1.00 0.00 H new ATOM 0 HB2 LYS B 48 85.850 25.965 -3.648 1.00 0.00 H new ATOM 0 HB3 LYS B 48 84.431 25.474 -2.745 1.00 0.00 H new ATOM 0 HG2 LYS B 48 86.025 24.759 -0.844 1.00 0.00 H new ATOM 0 HG3 LYS B 48 87.315 25.544 -1.734 1.00 0.00 H new ATOM 0 HD2 LYS B 48 84.732 26.897 -0.792 1.00 0.00 H new ATOM 0 HD3 LYS B 48 86.307 27.095 -0.051 1.00 0.00 H new ATOM 0 HE2 LYS B 48 87.091 27.819 -2.479 1.00 0.00 H new ATOM 0 HE3 LYS B 48 85.382 28.049 -2.788 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 86.404 30.082 -1.964 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 85.256 29.515 -0.849 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 86.912 29.292 -0.549 1.00 0.00 H new ATOM 2251 N GLU B 49 87.801 22.883 -2.501 1.00 0.00 N ATOM 2252 CA GLU B 49 89.264 22.566 -2.554 1.00 0.00 C ATOM 2253 C GLU B 49 89.450 21.050 -2.467 1.00 0.00 C ATOM 2254 O GLU B 49 88.715 20.364 -1.787 1.00 0.00 O ATOM 2255 CB GLU B 49 89.975 23.235 -1.374 1.00 0.00 C ATOM 2256 CG GLU B 49 91.489 23.116 -1.556 1.00 0.00 C ATOM 2257 CD GLU B 49 92.202 23.791 -0.383 1.00 0.00 C ATOM 2258 OE1 GLU B 49 91.524 24.413 0.417 1.00 0.00 O ATOM 2259 OE2 GLU B 49 93.414 23.673 -0.304 1.00 0.00 O ATOM 0 H GLU B 49 87.318 22.528 -1.676 1.00 0.00 H new ATOM 0 HA GLU B 49 89.687 22.937 -3.488 1.00 0.00 H new ATOM 0 HB2 GLU B 49 89.687 24.284 -1.310 1.00 0.00 H new ATOM 0 HB3 GLU B 49 89.672 22.764 -0.439 1.00 0.00 H new ATOM 0 HG2 GLU B 49 91.777 22.066 -1.614 1.00 0.00 H new ATOM 0 HG3 GLU B 49 91.790 23.582 -2.494 1.00 0.00 H new ATOM 2266 N GLN B 50 90.425 20.516 -3.150 1.00 0.00 N ATOM 2267 CA GLN B 50 90.648 19.043 -3.099 1.00 0.00 C ATOM 2268 C GLN B 50 90.928 18.627 -1.654 1.00 0.00 C ATOM 2269 O GLN B 50 90.547 17.561 -1.214 1.00 0.00 O ATOM 2270 CB GLN B 50 91.841 18.680 -3.989 1.00 0.00 C ATOM 2271 CG GLN B 50 93.099 19.390 -3.482 1.00 0.00 C ATOM 2272 CD GLN B 50 94.263 19.099 -4.430 1.00 0.00 C ATOM 2273 OE1 GLN B 50 94.143 19.267 -5.628 1.00 0.00 O ATOM 2274 NE2 GLN B 50 95.390 18.662 -3.941 1.00 0.00 N ATOM 0 H GLN B 50 91.076 21.034 -3.740 1.00 0.00 H new ATOM 0 HA GLN B 50 89.762 18.520 -3.459 1.00 0.00 H new ATOM 0 HB2 GLN B 50 91.995 17.601 -3.985 1.00 0.00 H new ATOM 0 HB3 GLN B 50 91.639 18.970 -5.020 1.00 0.00 H new ATOM 0 HG2 GLN B 50 92.924 20.464 -3.422 1.00 0.00 H new ATOM 0 HG3 GLN B 50 93.341 19.050 -2.475 1.00 0.00 H new ATOM 0 HE21 GLN B 50 95.489 18.522 -2.936 1.00 0.00 H new ATOM 0 HE22 GLN B 50 96.172 18.461 -4.564 1.00 0.00 H new ATOM 2283 N GLU B 51 91.599 19.463 -0.915 1.00 0.00 N ATOM 2284 CA GLU B 51 91.918 19.125 0.500 1.00 0.00 C ATOM 2285 C GLU B 51 90.618 18.784 1.234 1.00 0.00 C ATOM 2286 O GLU B 51 90.600 17.974 2.138 1.00 0.00 O ATOM 2287 CB GLU B 51 92.600 20.329 1.158 1.00 0.00 C ATOM 2288 CG GLU B 51 92.958 20.001 2.609 1.00 0.00 C ATOM 2289 CD GLU B 51 93.677 21.200 3.232 1.00 0.00 C ATOM 2290 OE1 GLU B 51 93.998 22.120 2.497 1.00 0.00 O ATOM 2291 OE2 GLU B 51 93.894 21.178 4.432 1.00 0.00 O ATOM 0 H GLU B 51 91.942 20.370 -1.231 1.00 0.00 H new ATOM 0 HA GLU B 51 92.589 18.267 0.545 1.00 0.00 H new ATOM 0 HB2 GLU B 51 93.500 20.595 0.604 1.00 0.00 H new ATOM 0 HB3 GLU B 51 91.938 21.195 1.125 1.00 0.00 H new ATOM 0 HG2 GLU B 51 92.056 19.768 3.175 1.00 0.00 H new ATOM 0 HG3 GLU B 51 93.596 19.118 2.648 1.00 0.00 H new ATOM 2298 N VAL B 52 89.527 19.373 0.832 1.00 0.00 N ATOM 2299 CA VAL B 52 88.223 19.058 1.483 1.00 0.00 C ATOM 2300 C VAL B 52 87.821 17.627 1.109 1.00 0.00 C ATOM 2301 O VAL B 52 87.219 16.916 1.886 1.00 0.00 O ATOM 2302 CB VAL B 52 87.145 20.039 1.003 1.00 0.00 C ATOM 2303 CG1 VAL B 52 85.774 19.585 1.516 1.00 0.00 C ATOM 2304 CG2 VAL B 52 87.449 21.438 1.542 1.00 0.00 C ATOM 0 H VAL B 52 89.481 20.060 0.080 1.00 0.00 H new ATOM 0 HA VAL B 52 88.321 19.149 2.565 1.00 0.00 H new ATOM 0 HB VAL B 52 87.138 20.062 -0.087 1.00 0.00 H new ATOM 0 HG11 VAL B 52 85.009 20.282 1.175 1.00 0.00 H new ATOM 0 HG12 VAL B 52 85.554 18.589 1.133 1.00 0.00 H new ATOM 0 HG13 VAL B 52 85.783 19.561 2.606 1.00 0.00 H new ATOM 0 HG21 VAL B 52 86.683 22.134 1.200 1.00 0.00 H new ATOM 0 HG22 VAL B 52 87.458 21.414 2.632 1.00 0.00 H new ATOM 0 HG23 VAL B 52 88.423 21.764 1.178 1.00 0.00 H new ATOM 2314 N VAL B 53 88.161 17.202 -0.079 1.00 0.00 N ATOM 2315 CA VAL B 53 87.807 15.815 -0.499 1.00 0.00 C ATOM 2316 C VAL B 53 88.616 14.821 0.342 1.00 0.00 C ATOM 2317 O VAL B 53 88.113 13.806 0.782 1.00 0.00 O ATOM 2318 CB VAL B 53 88.139 15.620 -1.987 1.00 0.00 C ATOM 2319 CG1 VAL B 53 87.990 14.141 -2.362 1.00 0.00 C ATOM 2320 CG2 VAL B 53 87.186 16.460 -2.843 1.00 0.00 C ATOM 0 H VAL B 53 88.666 17.752 -0.774 1.00 0.00 H new ATOM 0 HA VAL B 53 86.740 15.647 -0.349 1.00 0.00 H new ATOM 0 HB VAL B 53 89.166 15.938 -2.168 1.00 0.00 H new ATOM 0 HG11 VAL B 53 88.226 14.008 -3.418 1.00 0.00 H new ATOM 0 HG12 VAL B 53 88.673 13.542 -1.759 1.00 0.00 H new ATOM 0 HG13 VAL B 53 86.965 13.820 -2.176 1.00 0.00 H new ATOM 0 HG21 VAL B 53 87.424 16.319 -3.897 1.00 0.00 H new ATOM 0 HG22 VAL B 53 86.159 16.146 -2.658 1.00 0.00 H new ATOM 0 HG23 VAL B 53 87.296 17.513 -2.583 1.00 0.00 H new ATOM 2330 N ASP B 54 89.873 15.108 0.556 1.00 0.00 N ATOM 2331 CA ASP B 54 90.732 14.187 1.358 1.00 0.00 C ATOM 2332 C ASP B 54 90.159 14.033 2.767 1.00 0.00 C ATOM 2333 O ASP B 54 90.107 12.947 3.310 1.00 0.00 O ATOM 2334 CB ASP B 54 92.152 14.760 1.439 1.00 0.00 C ATOM 2335 CG ASP B 54 93.052 13.824 2.256 1.00 0.00 C ATOM 2336 OD1 ASP B 54 92.524 13.019 3.005 1.00 0.00 O ATOM 2337 OD2 ASP B 54 94.259 13.931 2.116 1.00 0.00 O ATOM 0 H ASP B 54 90.344 15.944 0.209 1.00 0.00 H new ATOM 0 HA ASP B 54 90.758 13.209 0.877 1.00 0.00 H new ATOM 0 HB2 ASP B 54 92.560 14.885 0.436 1.00 0.00 H new ATOM 0 HB3 ASP B 54 92.128 15.748 1.899 1.00 0.00 H new ATOM 2342 N LYS B 55 89.729 15.107 3.366 1.00 0.00 N ATOM 2343 CA LYS B 55 89.163 15.002 4.738 1.00 0.00 C ATOM 2344 C LYS B 55 87.948 14.080 4.692 1.00 0.00 C ATOM 2345 O LYS B 55 87.761 13.235 5.546 1.00 0.00 O ATOM 2346 CB LYS B 55 88.756 16.390 5.239 1.00 0.00 C ATOM 2347 CG LYS B 55 88.243 16.287 6.677 1.00 0.00 C ATOM 2348 CD LYS B 55 87.896 17.683 7.197 1.00 0.00 C ATOM 2349 CE LYS B 55 87.393 17.584 8.639 1.00 0.00 C ATOM 2350 NZ LYS B 55 88.453 16.980 9.495 1.00 0.00 N ATOM 0 H LYS B 55 89.745 16.046 2.969 1.00 0.00 H new ATOM 0 HA LYS B 55 89.908 14.594 5.421 1.00 0.00 H new ATOM 0 HB2 LYS B 55 89.608 17.068 5.194 1.00 0.00 H new ATOM 0 HB3 LYS B 55 87.982 16.808 4.595 1.00 0.00 H new ATOM 0 HG2 LYS B 55 87.364 15.644 6.715 1.00 0.00 H new ATOM 0 HG3 LYS B 55 89.001 15.829 7.313 1.00 0.00 H new ATOM 0 HD2 LYS B 55 88.774 18.328 7.151 1.00 0.00 H new ATOM 0 HD3 LYS B 55 87.133 18.138 6.566 1.00 0.00 H new ATOM 0 HE2 LYS B 55 87.129 18.574 9.012 1.00 0.00 H new ATOM 0 HE3 LYS B 55 86.489 16.977 8.679 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 88.260 17.199 10.493 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 88.460 15.949 9.362 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 89.379 17.370 9.228 1.00 0.00 H new ATOM 2364 N VAL B 56 87.126 14.233 3.694 1.00 0.00 N ATOM 2365 CA VAL B 56 85.926 13.362 3.576 1.00 0.00 C ATOM 2366 C VAL B 56 86.376 11.906 3.448 1.00 0.00 C ATOM 2367 O VAL B 56 85.779 11.011 4.012 1.00 0.00 O ATOM 2368 CB VAL B 56 85.112 13.769 2.341 1.00 0.00 C ATOM 2369 CG1 VAL B 56 84.019 12.729 2.073 1.00 0.00 C ATOM 2370 CG2 VAL B 56 84.465 15.133 2.589 1.00 0.00 C ATOM 0 H VAL B 56 87.234 14.926 2.953 1.00 0.00 H new ATOM 0 HA VAL B 56 85.301 13.473 4.462 1.00 0.00 H new ATOM 0 HB VAL B 56 85.773 13.826 1.476 1.00 0.00 H new ATOM 0 HG11 VAL B 56 83.444 13.023 1.195 1.00 0.00 H new ATOM 0 HG12 VAL B 56 84.478 11.756 1.897 1.00 0.00 H new ATOM 0 HG13 VAL B 56 83.356 12.667 2.936 1.00 0.00 H new ATOM 0 HG21 VAL B 56 83.886 15.426 1.713 1.00 0.00 H new ATOM 0 HG22 VAL B 56 83.807 15.071 3.456 1.00 0.00 H new ATOM 0 HG23 VAL B 56 85.241 15.875 2.775 1.00 0.00 H new ATOM 2380 N MET B 57 87.422 11.664 2.705 1.00 0.00 N ATOM 2381 CA MET B 57 87.903 10.264 2.539 1.00 0.00 C ATOM 2382 C MET B 57 88.399 9.725 3.883 1.00 0.00 C ATOM 2383 O MET B 57 88.154 8.588 4.232 1.00 0.00 O ATOM 2384 CB MET B 57 89.054 10.234 1.529 1.00 0.00 C ATOM 2385 CG MET B 57 88.526 10.551 0.125 1.00 0.00 C ATOM 2386 SD MET B 57 87.432 9.219 -0.444 1.00 0.00 S ATOM 2387 CE MET B 57 88.682 7.928 -0.691 1.00 0.00 C ATOM 0 H MET B 57 87.962 12.372 2.208 1.00 0.00 H new ATOM 0 HA MET B 57 87.082 9.644 2.179 1.00 0.00 H new ATOM 0 HB2 MET B 57 89.817 10.959 1.812 1.00 0.00 H new ATOM 0 HB3 MET B 57 89.529 9.253 1.535 1.00 0.00 H new ATOM 0 HG2 MET B 57 87.985 11.497 0.136 1.00 0.00 H new ATOM 0 HG3 MET B 57 89.359 10.669 -0.568 1.00 0.00 H new ATOM 0 HE1 MET B 57 88.559 7.487 -1.680 1.00 0.00 H new ATOM 0 HE2 MET B 57 89.677 8.365 -0.609 1.00 0.00 H new ATOM 0 HE3 MET B 57 88.562 7.155 0.068 1.00 0.00 H new ATOM 2397 N GLU B 58 89.093 10.529 4.641 1.00 0.00 N ATOM 2398 CA GLU B 58 89.597 10.053 5.962 1.00 0.00 C ATOM 2399 C GLU B 58 88.417 9.661 6.848 1.00 0.00 C ATOM 2400 O GLU B 58 88.401 8.607 7.452 1.00 0.00 O ATOM 2401 CB GLU B 58 90.391 11.165 6.650 1.00 0.00 C ATOM 2402 CG GLU B 58 91.709 11.395 5.908 1.00 0.00 C ATOM 2403 CD GLU B 58 92.626 10.189 6.113 1.00 0.00 C ATOM 2404 OE1 GLU B 58 92.909 9.872 7.256 1.00 0.00 O ATOM 2405 OE2 GLU B 58 93.026 9.600 5.122 1.00 0.00 O ATOM 0 H GLU B 58 89.333 11.492 4.405 1.00 0.00 H new ATOM 0 HA GLU B 58 90.244 9.190 5.804 1.00 0.00 H new ATOM 0 HB2 GLU B 58 89.807 12.085 6.666 1.00 0.00 H new ATOM 0 HB3 GLU B 58 90.589 10.895 7.687 1.00 0.00 H new ATOM 0 HG2 GLU B 58 91.519 11.545 4.845 1.00 0.00 H new ATOM 0 HG3 GLU B 58 92.193 12.300 6.276 1.00 0.00 H new ATOM 2412 N THR B 59 87.428 10.503 6.927 1.00 0.00 N ATOM 2413 CA THR B 59 86.245 10.184 7.772 1.00 0.00 C ATOM 2414 C THR B 59 85.472 9.033 7.135 1.00 0.00 C ATOM 2415 O THR B 59 85.003 8.136 7.807 1.00 0.00 O ATOM 2416 CB THR B 59 85.340 11.418 7.864 1.00 0.00 C ATOM 2417 OG1 THR B 59 86.066 12.491 8.445 1.00 0.00 O ATOM 2418 CG2 THR B 59 84.114 11.103 8.725 1.00 0.00 C ATOM 0 H THR B 59 87.387 11.400 6.443 1.00 0.00 H new ATOM 0 HA THR B 59 86.571 9.898 8.772 1.00 0.00 H new ATOM 0 HB THR B 59 85.010 11.698 6.864 1.00 0.00 H new ATOM 0 HG1 THR B 59 85.490 13.282 8.503 1.00 0.00 H new ATOM 0 HG21 THR B 59 83.476 11.985 8.786 1.00 0.00 H new ATOM 0 HG22 THR B 59 83.556 10.281 8.277 1.00 0.00 H new ATOM 0 HG23 THR B 59 84.436 10.819 9.727 1.00 0.00 H new ATOM 2426 N LEU B 60 85.350 9.049 5.840 1.00 0.00 N ATOM 2427 CA LEU B 60 84.622 7.955 5.146 1.00 0.00 C ATOM 2428 C LEU B 60 85.454 6.675 5.181 1.00 0.00 C ATOM 2429 O LEU B 60 84.932 5.590 5.351 1.00 0.00 O ATOM 2430 CB LEU B 60 84.355 8.371 3.697 1.00 0.00 C ATOM 2431 CG LEU B 60 83.609 7.259 2.944 1.00 0.00 C ATOM 2432 CD1 LEU B 60 82.262 6.960 3.626 1.00 0.00 C ATOM 2433 CD2 LEU B 60 83.365 7.718 1.503 1.00 0.00 C ATOM 0 H LEU B 60 85.725 9.775 5.230 1.00 0.00 H new ATOM 0 HA LEU B 60 83.673 7.768 5.649 1.00 0.00 H new ATOM 0 HB2 LEU B 60 83.766 9.288 3.679 1.00 0.00 H new ATOM 0 HB3 LEU B 60 85.298 8.588 3.195 1.00 0.00 H new ATOM 0 HG LEU B 60 84.211 6.350 2.952 1.00 0.00 H new ATOM 0 HD11 LEU B 60 81.746 6.170 3.081 1.00 0.00 H new ATOM 0 HD12 LEU B 60 82.437 6.638 4.652 1.00 0.00 H new ATOM 0 HD13 LEU B 60 81.648 7.860 3.629 1.00 0.00 H new ATOM 0 HD21 LEU B 60 82.836 6.937 0.957 1.00 0.00 H new ATOM 0 HD22 LEU B 60 82.765 8.628 1.508 1.00 0.00 H new ATOM 0 HD23 LEU B 60 84.321 7.916 1.018 1.00 0.00 H new ATOM 2445 N ASP B 61 86.741 6.781 4.986 1.00 0.00 N ATOM 2446 CA ASP B 61 87.600 5.565 4.973 1.00 0.00 C ATOM 2447 C ASP B 61 87.921 5.111 6.398 1.00 0.00 C ATOM 2448 O ASP B 61 89.069 4.931 6.752 1.00 0.00 O ATOM 2449 CB ASP B 61 88.910 5.886 4.246 1.00 0.00 C ATOM 2450 CG ASP B 61 89.657 4.589 3.932 1.00 0.00 C ATOM 2451 OD1 ASP B 61 89.055 3.535 4.060 1.00 0.00 O ATOM 2452 OD2 ASP B 61 90.821 4.671 3.575 1.00 0.00 O ATOM 0 H ASP B 61 87.235 7.661 4.835 1.00 0.00 H new ATOM 0 HA ASP B 61 87.065 4.765 4.462 1.00 0.00 H new ATOM 0 HB2 ASP B 61 88.702 6.429 3.324 1.00 0.00 H new ATOM 0 HB3 ASP B 61 89.531 6.534 4.865 1.00 0.00 H new ATOM 2457 N GLU B 62 86.927 4.891 7.207 1.00 0.00 N ATOM 2458 CA GLU B 62 87.195 4.411 8.590 1.00 0.00 C ATOM 2459 C GLU B 62 87.926 3.073 8.481 1.00 0.00 C ATOM 2460 O GLU B 62 88.822 2.764 9.242 1.00 0.00 O ATOM 2461 CB GLU B 62 85.873 4.223 9.338 1.00 0.00 C ATOM 2462 CG GLU B 62 86.149 3.742 10.764 1.00 0.00 C ATOM 2463 CD GLU B 62 84.827 3.607 11.520 1.00 0.00 C ATOM 2464 OE1 GLU B 62 83.804 3.946 10.948 1.00 0.00 O ATOM 2465 OE2 GLU B 62 84.859 3.167 12.658 1.00 0.00 O ATOM 0 H GLU B 62 85.943 5.022 6.973 1.00 0.00 H new ATOM 0 HA GLU B 62 87.800 5.134 9.138 1.00 0.00 H new ATOM 0 HB2 GLU B 62 85.321 5.163 9.362 1.00 0.00 H new ATOM 0 HB3 GLU B 62 85.248 3.499 8.815 1.00 0.00 H new ATOM 0 HG2 GLU B 62 86.667 2.783 10.742 1.00 0.00 H new ATOM 0 HG3 GLU B 62 86.803 4.447 11.277 1.00 0.00 H new ATOM 2472 N ASP B 63 87.524 2.280 7.531 1.00 0.00 N ATOM 2473 CA ASP B 63 88.144 0.943 7.323 1.00 0.00 C ATOM 2474 C ASP B 63 89.642 1.074 7.031 1.00 0.00 C ATOM 2475 O ASP B 63 90.427 0.228 7.412 1.00 0.00 O ATOM 2476 CB ASP B 63 87.465 0.282 6.124 1.00 0.00 C ATOM 2477 CG ASP B 63 87.336 1.311 5.001 1.00 0.00 C ATOM 2478 OD1 ASP B 63 86.569 2.245 5.166 1.00 0.00 O ATOM 2479 OD2 ASP B 63 88.011 1.150 3.997 1.00 0.00 O ATOM 0 H ASP B 63 86.776 2.507 6.876 1.00 0.00 H new ATOM 0 HA ASP B 63 88.017 0.347 8.227 1.00 0.00 H new ATOM 0 HB2 ASP B 63 88.048 -0.575 5.786 1.00 0.00 H new ATOM 0 HB3 ASP B 63 86.481 -0.093 6.407 1.00 0.00 H new ATOM 2484 N GLY B 64 90.051 2.106 6.344 1.00 0.00 N ATOM 2485 CA GLY B 64 91.496 2.251 6.020 1.00 0.00 C ATOM 2486 C GLY B 64 91.759 1.509 4.714 1.00 0.00 C ATOM 2487 O GLY B 64 92.123 0.350 4.708 1.00 0.00 O ATOM 0 H GLY B 64 89.449 2.851 5.995 1.00 0.00 H new ATOM 0 HA2 GLY B 64 91.761 3.304 5.921 1.00 0.00 H new ATOM 0 HA3 GLY B 64 92.110 1.841 6.822 1.00 0.00 H new ATOM 2491 N ASP B 65 91.588 2.174 3.606 1.00 0.00 N ATOM 2492 CA ASP B 65 91.834 1.516 2.283 1.00 0.00 C ATOM 2493 C ASP B 65 92.374 2.526 1.260 1.00 0.00 C ATOM 2494 O ASP B 65 93.114 2.171 0.363 1.00 0.00 O ATOM 2495 CB ASP B 65 90.524 0.927 1.752 1.00 0.00 C ATOM 2496 CG ASP B 65 90.134 -0.304 2.573 1.00 0.00 C ATOM 2497 OD1 ASP B 65 91.024 -0.953 3.094 1.00 0.00 O ATOM 2498 OD2 ASP B 65 88.949 -0.581 2.658 1.00 0.00 O ATOM 0 H ASP B 65 91.288 3.147 3.555 1.00 0.00 H new ATOM 0 HA ASP B 65 92.573 0.728 2.427 1.00 0.00 H new ATOM 0 HB2 ASP B 65 89.732 1.674 1.803 1.00 0.00 H new ATOM 0 HB3 ASP B 65 90.637 0.654 0.703 1.00 0.00 H new ATOM 2503 N GLY B 66 92.006 3.776 1.369 1.00 0.00 N ATOM 2504 CA GLY B 66 92.495 4.794 0.383 1.00 0.00 C ATOM 2505 C GLY B 66 91.522 4.845 -0.800 1.00 0.00 C ATOM 2506 O GLY B 66 91.543 5.754 -1.606 1.00 0.00 O ATOM 0 H GLY B 66 91.389 4.139 2.096 1.00 0.00 H new ATOM 0 HA2 GLY B 66 92.565 5.774 0.856 1.00 0.00 H new ATOM 0 HA3 GLY B 66 93.496 4.534 0.037 1.00 0.00 H new ATOM 2510 N GLU B 67 90.666 3.864 -0.892 1.00 0.00 N ATOM 2511 CA GLU B 67 89.663 3.801 -1.993 1.00 0.00 C ATOM 2512 C GLU B 67 88.327 3.375 -1.391 1.00 0.00 C ATOM 2513 O GLU B 67 88.290 2.826 -0.308 1.00 0.00 O ATOM 2514 CB GLU B 67 90.126 2.778 -3.034 1.00 0.00 C ATOM 2515 CG GLU B 67 90.109 1.368 -2.436 1.00 0.00 C ATOM 2516 CD GLU B 67 90.712 0.388 -3.444 1.00 0.00 C ATOM 2517 OE1 GLU B 67 90.820 0.753 -4.603 1.00 0.00 O ATOM 2518 OE2 GLU B 67 91.060 -0.709 -3.038 1.00 0.00 O ATOM 0 H GLU B 67 90.619 3.086 -0.234 1.00 0.00 H new ATOM 0 HA GLU B 67 89.556 4.771 -2.479 1.00 0.00 H new ATOM 0 HB2 GLU B 67 89.476 2.818 -3.908 1.00 0.00 H new ATOM 0 HB3 GLU B 67 91.132 3.024 -3.374 1.00 0.00 H new ATOM 0 HG2 GLU B 67 90.677 1.347 -1.506 1.00 0.00 H new ATOM 0 HG3 GLU B 67 89.088 1.075 -2.192 1.00 0.00 H new ATOM 2525 N CYS B 68 87.227 3.608 -2.065 1.00 0.00 N ATOM 2526 CA CYS B 68 85.901 3.193 -1.496 1.00 0.00 C ATOM 2527 C CYS B 68 85.445 1.893 -2.166 1.00 0.00 C ATOM 2528 O CYS B 68 85.073 1.872 -3.323 1.00 0.00 O ATOM 2529 CB CYS B 68 84.872 4.295 -1.755 1.00 0.00 C ATOM 2530 SG CYS B 68 83.353 3.928 -0.843 1.00 0.00 S ATOM 0 H CYS B 68 87.187 4.063 -2.977 1.00 0.00 H new ATOM 0 HA CYS B 68 85.996 3.032 -0.422 1.00 0.00 H new ATOM 0 HB2 CYS B 68 85.271 5.260 -1.444 1.00 0.00 H new ATOM 0 HB3 CYS B 68 84.660 4.366 -2.822 1.00 0.00 H new ATOM 0 HG CYS B 68 82.479 4.865 -1.061 1.00 0.00 H new ATOM 2536 N ASP B 69 85.502 0.803 -1.451 1.00 0.00 N ATOM 2537 CA ASP B 69 85.105 -0.513 -2.035 1.00 0.00 C ATOM 2538 C ASP B 69 83.599 -0.560 -2.320 1.00 0.00 C ATOM 2539 O ASP B 69 82.853 0.331 -1.968 1.00 0.00 O ATOM 2540 CB ASP B 69 85.480 -1.636 -1.066 1.00 0.00 C ATOM 2541 CG ASP B 69 86.999 -1.834 -1.069 1.00 0.00 C ATOM 2542 OD1 ASP B 69 87.613 -1.552 -2.084 1.00 0.00 O ATOM 2543 OD2 ASP B 69 87.521 -2.271 -0.056 1.00 0.00 O ATOM 0 H ASP B 69 85.809 0.766 -0.479 1.00 0.00 H new ATOM 0 HA ASP B 69 85.635 -0.644 -2.978 1.00 0.00 H new ATOM 0 HB2 ASP B 69 85.137 -1.392 -0.061 1.00 0.00 H new ATOM 0 HB3 ASP B 69 84.982 -2.561 -1.356 1.00 0.00 H new ATOM 2548 N PHE B 70 83.161 -1.612 -2.960 1.00 0.00 N ATOM 2549 CA PHE B 70 81.710 -1.745 -3.285 1.00 0.00 C ATOM 2550 C PHE B 70 80.899 -1.740 -1.992 1.00 0.00 C ATOM 2551 O PHE B 70 79.925 -1.025 -1.857 1.00 0.00 O ATOM 2552 CB PHE B 70 81.463 -3.056 -4.031 1.00 0.00 C ATOM 2553 CG PHE B 70 79.991 -3.177 -4.353 1.00 0.00 C ATOM 2554 CD1 PHE B 70 79.500 -2.662 -5.557 1.00 0.00 C ATOM 2555 CD2 PHE B 70 79.122 -3.807 -3.453 1.00 0.00 C ATOM 2556 CE1 PHE B 70 78.139 -2.776 -5.863 1.00 0.00 C ATOM 2557 CE2 PHE B 70 77.760 -3.919 -3.762 1.00 0.00 C ATOM 2558 CZ PHE B 70 77.269 -3.404 -4.967 1.00 0.00 C ATOM 0 H PHE B 70 83.747 -2.387 -3.272 1.00 0.00 H new ATOM 0 HA PHE B 70 81.405 -0.909 -3.915 1.00 0.00 H new ATOM 0 HB2 PHE B 70 82.051 -3.082 -4.948 1.00 0.00 H new ATOM 0 HB3 PHE B 70 81.785 -3.901 -3.422 1.00 0.00 H new ATOM 0 HD1 PHE B 70 80.171 -2.177 -6.250 1.00 0.00 H new ATOM 0 HD2 PHE B 70 79.501 -4.205 -2.523 1.00 0.00 H new ATOM 0 HE1 PHE B 70 77.760 -2.378 -6.793 1.00 0.00 H new ATOM 0 HE2 PHE B 70 77.088 -4.404 -3.069 1.00 0.00 H new ATOM 0 HZ PHE B 70 76.219 -3.492 -5.204 1.00 0.00 H new ATOM 2568 N GLN B 71 81.281 -2.548 -1.048 1.00 0.00 N ATOM 2569 CA GLN B 71 80.512 -2.598 0.225 1.00 0.00 C ATOM 2570 C GLN B 71 80.499 -1.200 0.848 1.00 0.00 C ATOM 2571 O GLN B 71 79.454 -0.660 1.153 1.00 0.00 O ATOM 2572 CB GLN B 71 81.173 -3.597 1.181 1.00 0.00 C ATOM 2573 CG GLN B 71 80.960 -5.022 0.663 1.00 0.00 C ATOM 2574 CD GLN B 71 81.786 -5.239 -0.607 1.00 0.00 C ATOM 2575 OE1 GLN B 71 82.958 -4.921 -0.645 1.00 0.00 O ATOM 2576 NE2 GLN B 71 81.221 -5.773 -1.656 1.00 0.00 N ATOM 0 H GLN B 71 82.086 -3.172 -1.100 1.00 0.00 H new ATOM 0 HA GLN B 71 79.488 -2.920 0.034 1.00 0.00 H new ATOM 0 HB2 GLN B 71 82.239 -3.385 1.264 1.00 0.00 H new ATOM 0 HB3 GLN B 71 80.749 -3.495 2.180 1.00 0.00 H new ATOM 0 HG2 GLN B 71 81.252 -5.744 1.426 1.00 0.00 H new ATOM 0 HG3 GLN B 71 79.903 -5.189 0.454 1.00 0.00 H new ATOM 0 HE21 GLN B 71 80.237 -6.040 -1.625 1.00 0.00 H new ATOM 0 HE22 GLN B 71 81.764 -5.923 -2.507 1.00 0.00 H new ATOM 2585 N GLU B 72 81.642 -0.597 1.021 1.00 0.00 N ATOM 2586 CA GLU B 72 81.672 0.776 1.602 1.00 0.00 C ATOM 2587 C GLU B 72 80.874 1.700 0.681 1.00 0.00 C ATOM 2588 O GLU B 72 80.065 2.495 1.111 1.00 0.00 O ATOM 2589 CB GLU B 72 83.121 1.253 1.665 1.00 0.00 C ATOM 2590 CG GLU B 72 83.886 0.422 2.695 1.00 0.00 C ATOM 2591 CD GLU B 72 85.378 0.738 2.594 1.00 0.00 C ATOM 2592 OE1 GLU B 72 85.710 1.745 1.991 1.00 0.00 O ATOM 2593 OE2 GLU B 72 86.163 -0.041 3.108 1.00 0.00 O ATOM 0 H GLU B 72 82.553 -0.992 0.787 1.00 0.00 H new ATOM 0 HA GLU B 72 81.243 0.780 2.604 1.00 0.00 H new ATOM 0 HB2 GLU B 72 83.589 1.158 0.685 1.00 0.00 H new ATOM 0 HB3 GLU B 72 83.156 2.309 1.935 1.00 0.00 H new ATOM 0 HG2 GLU B 72 83.523 0.643 3.699 1.00 0.00 H new ATOM 0 HG3 GLU B 72 83.715 -0.640 2.521 1.00 0.00 H new ATOM 2600 N PHE B 73 81.129 1.595 -0.593 1.00 0.00 N ATOM 2601 CA PHE B 73 80.420 2.461 -1.577 1.00 0.00 C ATOM 2602 C PHE B 73 78.925 2.443 -1.261 1.00 0.00 C ATOM 2603 O PHE B 73 78.255 3.452 -1.327 1.00 0.00 O ATOM 2604 CB PHE B 73 80.647 1.947 -2.997 1.00 0.00 C ATOM 2605 CG PHE B 73 79.952 2.866 -3.967 1.00 0.00 C ATOM 2606 CD1 PHE B 73 78.624 2.624 -4.332 1.00 0.00 C ATOM 2607 CD2 PHE B 73 80.638 3.962 -4.500 1.00 0.00 C ATOM 2608 CE1 PHE B 73 77.979 3.481 -5.232 1.00 0.00 C ATOM 2609 CE2 PHE B 73 79.996 4.819 -5.400 1.00 0.00 C ATOM 2610 CZ PHE B 73 78.666 4.579 -5.766 1.00 0.00 C ATOM 0 H PHE B 73 81.801 0.943 -0.998 1.00 0.00 H new ATOM 0 HA PHE B 73 80.807 3.478 -1.508 1.00 0.00 H new ATOM 0 HB2 PHE B 73 81.714 1.905 -3.216 1.00 0.00 H new ATOM 0 HB3 PHE B 73 80.261 0.933 -3.097 1.00 0.00 H new ATOM 0 HD1 PHE B 73 78.096 1.777 -3.920 1.00 0.00 H new ATOM 0 HD2 PHE B 73 81.664 4.147 -4.217 1.00 0.00 H new ATOM 0 HE1 PHE B 73 76.953 3.296 -5.514 1.00 0.00 H new ATOM 0 HE2 PHE B 73 80.526 5.665 -5.812 1.00 0.00 H new ATOM 0 HZ PHE B 73 78.169 5.241 -6.460 1.00 0.00 H new ATOM 2620 N MET B 74 78.404 1.307 -0.896 1.00 0.00 N ATOM 2621 CA MET B 74 76.958 1.229 -0.551 1.00 0.00 C ATOM 2622 C MET B 74 76.721 1.975 0.769 1.00 0.00 C ATOM 2623 O MET B 74 75.642 2.467 1.030 1.00 0.00 O ATOM 2624 CB MET B 74 76.543 -0.236 -0.394 1.00 0.00 C ATOM 2625 CG MET B 74 76.594 -0.932 -1.756 1.00 0.00 C ATOM 2626 SD MET B 74 75.290 -0.270 -2.826 1.00 0.00 S ATOM 2627 CE MET B 74 73.867 -0.959 -1.942 1.00 0.00 C ATOM 0 H MET B 74 78.917 0.428 -0.821 1.00 0.00 H new ATOM 0 HA MET B 74 76.365 1.684 -1.345 1.00 0.00 H new ATOM 0 HB2 MET B 74 77.207 -0.740 0.308 1.00 0.00 H new ATOM 0 HB3 MET B 74 75.536 -0.297 0.020 1.00 0.00 H new ATOM 0 HG2 MET B 74 77.570 -0.779 -2.217 1.00 0.00 H new ATOM 0 HG3 MET B 74 76.465 -2.007 -1.631 1.00 0.00 H new ATOM 0 HE1 MET B 74 73.044 -1.112 -2.640 1.00 0.00 H new ATOM 0 HE2 MET B 74 74.144 -1.913 -1.494 1.00 0.00 H new ATOM 0 HE3 MET B 74 73.555 -0.267 -1.159 1.00 0.00 H new ATOM 2637 N ALA B 75 77.732 2.076 1.593 1.00 0.00 N ATOM 2638 CA ALA B 75 77.571 2.809 2.885 1.00 0.00 C ATOM 2639 C ALA B 75 77.345 4.287 2.578 1.00 0.00 C ATOM 2640 O ALA B 75 76.367 4.882 2.986 1.00 0.00 O ATOM 2641 CB ALA B 75 78.836 2.648 3.734 1.00 0.00 C ATOM 0 H ALA B 75 78.659 1.684 1.428 1.00 0.00 H new ATOM 0 HA ALA B 75 76.722 2.406 3.438 1.00 0.00 H new ATOM 0 HB1 ALA B 75 78.713 3.184 4.675 1.00 0.00 H new ATOM 0 HB2 ALA B 75 79.005 1.591 3.938 1.00 0.00 H new ATOM 0 HB3 ALA B 75 79.691 3.054 3.194 1.00 0.00 H new ATOM 2647 N PHE B 76 78.250 4.878 1.851 1.00 0.00 N ATOM 2648 CA PHE B 76 78.102 6.319 1.502 1.00 0.00 C ATOM 2649 C PHE B 76 76.738 6.500 0.845 1.00 0.00 C ATOM 2650 O PHE B 76 76.032 7.458 1.091 1.00 0.00 O ATOM 2651 CB PHE B 76 79.200 6.738 0.525 1.00 0.00 C ATOM 2652 CG PHE B 76 79.023 8.198 0.190 1.00 0.00 C ATOM 2653 CD1 PHE B 76 78.202 8.571 -0.879 1.00 0.00 C ATOM 2654 CD2 PHE B 76 79.665 9.179 0.957 1.00 0.00 C ATOM 2655 CE1 PHE B 76 78.024 9.924 -1.185 1.00 0.00 C ATOM 2656 CE2 PHE B 76 79.486 10.533 0.652 1.00 0.00 C ATOM 2657 CZ PHE B 76 78.665 10.906 -0.421 1.00 0.00 C ATOM 0 H PHE B 76 79.087 4.426 1.483 1.00 0.00 H new ATOM 0 HA PHE B 76 78.184 6.934 2.398 1.00 0.00 H new ATOM 0 HB2 PHE B 76 80.182 6.569 0.966 1.00 0.00 H new ATOM 0 HB3 PHE B 76 79.149 6.134 -0.381 1.00 0.00 H new ATOM 0 HD1 PHE B 76 77.705 7.814 -1.468 1.00 0.00 H new ATOM 0 HD2 PHE B 76 80.298 8.890 1.783 1.00 0.00 H new ATOM 0 HE1 PHE B 76 77.391 10.211 -2.012 1.00 0.00 H new ATOM 0 HE2 PHE B 76 79.980 11.290 1.243 1.00 0.00 H new ATOM 0 HZ PHE B 76 78.527 11.951 -0.658 1.00 0.00 H new ATOM 2667 N VAL B 77 76.353 5.559 0.034 1.00 0.00 N ATOM 2668 CA VAL B 77 75.017 5.653 -0.609 1.00 0.00 C ATOM 2669 C VAL B 77 73.978 5.686 0.513 1.00 0.00 C ATOM 2670 O VAL B 77 73.067 6.489 0.507 1.00 0.00 O ATOM 2671 CB VAL B 77 74.777 4.436 -1.510 1.00 0.00 C ATOM 2672 CG1 VAL B 77 73.316 4.412 -1.967 1.00 0.00 C ATOM 2673 CG2 VAL B 77 75.684 4.528 -2.738 1.00 0.00 C ATOM 0 H VAL B 77 76.901 4.734 -0.210 1.00 0.00 H new ATOM 0 HA VAL B 77 74.949 6.547 -1.228 1.00 0.00 H new ATOM 0 HB VAL B 77 74.999 3.526 -0.952 1.00 0.00 H new ATOM 0 HG11 VAL B 77 73.149 3.546 -2.607 1.00 0.00 H new ATOM 0 HG12 VAL B 77 72.663 4.351 -1.096 1.00 0.00 H new ATOM 0 HG13 VAL B 77 73.094 5.323 -2.524 1.00 0.00 H new ATOM 0 HG21 VAL B 77 75.515 3.664 -3.380 1.00 0.00 H new ATOM 0 HG22 VAL B 77 75.458 5.440 -3.290 1.00 0.00 H new ATOM 0 HG23 VAL B 77 76.726 4.546 -2.420 1.00 0.00 H new ATOM 2683 N SER B 78 74.125 4.824 1.486 1.00 0.00 N ATOM 2684 CA SER B 78 73.162 4.809 2.623 1.00 0.00 C ATOM 2685 C SER B 78 73.288 6.107 3.418 1.00 0.00 C ATOM 2686 O SER B 78 72.307 6.681 3.840 1.00 0.00 O ATOM 2687 CB SER B 78 73.473 3.627 3.541 1.00 0.00 C ATOM 2688 OG SER B 78 72.562 3.632 4.634 1.00 0.00 O ATOM 0 H SER B 78 74.871 4.131 1.541 1.00 0.00 H new ATOM 0 HA SER B 78 72.148 4.715 2.234 1.00 0.00 H new ATOM 0 HB2 SER B 78 73.392 2.691 2.989 1.00 0.00 H new ATOM 0 HB3 SER B 78 74.498 3.694 3.906 1.00 0.00 H new ATOM 0 HG SER B 78 72.756 2.875 5.225 1.00 0.00 H new ATOM 2694 N MET B 79 74.489 6.564 3.651 1.00 0.00 N ATOM 2695 CA MET B 79 74.664 7.811 4.448 1.00 0.00 C ATOM 2696 C MET B 79 73.865 8.931 3.788 1.00 0.00 C ATOM 2697 O MET B 79 73.196 9.701 4.445 1.00 0.00 O ATOM 2698 CB MET B 79 76.147 8.191 4.484 1.00 0.00 C ATOM 2699 CG MET B 79 76.937 7.133 5.261 1.00 0.00 C ATOM 2700 SD MET B 79 76.692 7.366 7.040 1.00 0.00 S ATOM 2701 CE MET B 79 78.009 8.584 7.297 1.00 0.00 C ATOM 0 H MET B 79 75.353 6.130 3.325 1.00 0.00 H new ATOM 0 HA MET B 79 74.311 7.654 5.467 1.00 0.00 H new ATOM 0 HB2 MET B 79 76.535 8.274 3.469 1.00 0.00 H new ATOM 0 HB3 MET B 79 76.270 9.167 4.953 1.00 0.00 H new ATOM 0 HG2 MET B 79 76.611 6.135 4.968 1.00 0.00 H new ATOM 0 HG3 MET B 79 77.997 7.207 5.018 1.00 0.00 H new ATOM 0 HE1 MET B 79 78.037 8.873 8.348 1.00 0.00 H new ATOM 0 HE2 MET B 79 78.967 8.149 7.015 1.00 0.00 H new ATOM 0 HE3 MET B 79 77.815 9.464 6.684 1.00 0.00 H new ATOM 2711 N VAL B 80 73.894 9.000 2.492 1.00 0.00 N ATOM 2712 CA VAL B 80 73.100 10.039 1.783 1.00 0.00 C ATOM 2713 C VAL B 80 71.627 9.821 2.133 1.00 0.00 C ATOM 2714 O VAL B 80 70.842 10.745 2.213 1.00 0.00 O ATOM 2715 CB VAL B 80 73.305 9.897 0.273 1.00 0.00 C ATOM 2716 CG1 VAL B 80 72.315 10.790 -0.477 1.00 0.00 C ATOM 2717 CG2 VAL B 80 74.732 10.313 -0.086 1.00 0.00 C ATOM 0 H VAL B 80 74.435 8.380 1.889 1.00 0.00 H new ATOM 0 HA VAL B 80 73.416 11.038 2.084 1.00 0.00 H new ATOM 0 HB VAL B 80 73.139 8.859 -0.013 1.00 0.00 H new ATOM 0 HG11 VAL B 80 72.469 10.682 -1.551 1.00 0.00 H new ATOM 0 HG12 VAL B 80 71.296 10.496 -0.225 1.00 0.00 H new ATOM 0 HG13 VAL B 80 72.474 11.830 -0.191 1.00 0.00 H new ATOM 0 HG21 VAL B 80 74.881 10.213 -1.161 1.00 0.00 H new ATOM 0 HG22 VAL B 80 74.893 11.350 0.207 1.00 0.00 H new ATOM 0 HG23 VAL B 80 75.441 9.673 0.439 1.00 0.00 H new ATOM 2727 N THR B 81 71.269 8.589 2.369 1.00 0.00 N ATOM 2728 CA THR B 81 69.866 8.259 2.749 1.00 0.00 C ATOM 2729 C THR B 81 69.689 8.452 4.262 1.00 0.00 C ATOM 2730 O THR B 81 68.765 9.094 4.718 1.00 0.00 O ATOM 2731 CB THR B 81 69.577 6.804 2.376 1.00 0.00 C ATOM 2732 OG1 THR B 81 69.952 6.586 1.022 1.00 0.00 O ATOM 2733 CG2 THR B 81 68.085 6.511 2.546 1.00 0.00 C ATOM 0 H THR B 81 71.897 7.787 2.314 1.00 0.00 H new ATOM 0 HA THR B 81 69.174 8.915 2.221 1.00 0.00 H new ATOM 0 HB THR B 81 70.147 6.142 3.028 1.00 0.00 H new ATOM 0 HG1 THR B 81 70.117 7.448 0.586 1.00 0.00 H new ATOM 0 HG21 THR B 81 67.885 5.473 2.279 1.00 0.00 H new ATOM 0 HG22 THR B 81 67.797 6.681 3.583 1.00 0.00 H new ATOM 0 HG23 THR B 81 67.508 7.170 1.897 1.00 0.00 H new ATOM 2741 N THR B 82 70.577 7.885 5.036 1.00 0.00 N ATOM 2742 CA THR B 82 70.496 8.002 6.522 1.00 0.00 C ATOM 2743 C THR B 82 70.843 9.428 6.958 1.00 0.00 C ATOM 2744 O THR B 82 70.514 9.849 8.048 1.00 0.00 O ATOM 2745 CB THR B 82 71.484 7.017 7.162 1.00 0.00 C ATOM 2746 OG1 THR B 82 71.421 5.774 6.475 1.00 0.00 O ATOM 2747 CG2 THR B 82 71.123 6.805 8.634 1.00 0.00 C ATOM 0 H THR B 82 71.367 7.337 4.696 1.00 0.00 H new ATOM 0 HA THR B 82 69.481 7.770 6.844 1.00 0.00 H new ATOM 0 HB THR B 82 72.494 7.423 7.095 1.00 0.00 H new ATOM 0 HG1 THR B 82 72.175 5.705 5.853 1.00 0.00 H new ATOM 0 HG21 THR B 82 71.827 6.105 9.084 1.00 0.00 H new ATOM 0 HG22 THR B 82 71.171 7.758 9.161 1.00 0.00 H new ATOM 0 HG23 THR B 82 70.113 6.401 8.706 1.00 0.00 H new ATOM 2755 N ALA B 83 71.501 10.175 6.115 1.00 0.00 N ATOM 2756 CA ALA B 83 71.856 11.573 6.489 1.00 0.00 C ATOM 2757 C ALA B 83 70.611 12.454 6.404 1.00 0.00 C ATOM 2758 O ALA B 83 70.383 13.311 7.235 1.00 0.00 O ATOM 2759 CB ALA B 83 72.924 12.110 5.536 1.00 0.00 C ATOM 0 H ALA B 83 71.807 9.880 5.188 1.00 0.00 H new ATOM 0 HA ALA B 83 72.244 11.584 7.507 1.00 0.00 H new ATOM 0 HB1 ALA B 83 73.179 13.132 5.815 1.00 0.00 H new ATOM 0 HB2 ALA B 83 73.814 11.484 5.597 1.00 0.00 H new ATOM 0 HB3 ALA B 83 72.541 12.097 4.516 1.00 0.00 H new ATOM 2765 N CYS B 84 69.811 12.261 5.392 1.00 0.00 N ATOM 2766 CA CYS B 84 68.588 13.097 5.237 1.00 0.00 C ATOM 2767 C CYS B 84 67.560 12.725 6.308 1.00 0.00 C ATOM 2768 O CYS B 84 67.218 11.572 6.483 1.00 0.00 O ATOM 2769 CB CYS B 84 67.984 12.849 3.852 1.00 0.00 C ATOM 2770 SG CYS B 84 69.136 13.423 2.579 1.00 0.00 S ATOM 0 H CYS B 84 69.952 11.560 4.665 1.00 0.00 H new ATOM 0 HA CYS B 84 68.855 14.148 5.347 1.00 0.00 H new ATOM 0 HB2 CYS B 84 67.778 11.787 3.718 1.00 0.00 H new ATOM 0 HB3 CYS B 84 67.033 13.373 3.759 1.00 0.00 H new ATOM 0 HG CYS B 84 68.533 14.268 1.797 1.00 0.00 H new