USER MOD reduce.3.24.130724 H: found=0, std=0, add=826, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 824 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 42 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 46 MET CE :methyl -150:sc= -3.64 (180deg=-5.22!) USER MOD Set 2.1: A 4 CYS SG : rot 180:sc= 0.823 USER MOD Set 2.2: A 64 THR OG1 : rot -57:sc= -0.247 USER MOD Single : A 1 MET CE :methyl -126:sc= -9.27! (180deg=-12.4!) USER MOD Single : A 1 MET N :NH3+ 178:sc= 0.298 (180deg=0.288) USER MOD Single : A 2 THR OG1 : rot 180:sc= -1.02 USER MOD Single : A 6 MET CE :methyl 155:sc= -0.139 (180deg=-0.686) USER MOD Single : A 7 TYR OH : rot 120:sc= -0.133 USER MOD Single : A 8 ASN : amide:sc= -2.58 K(o=-2.6,f=-7.4!) USER MOD Single : A 10 SER OG : rot -99:sc= 0.829 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= -0.0941 X(o=-0.094,f=-0.32) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 CYS SG : rot 39:sc= -0.0393 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 85:sc= 1.03 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.0466 X(o=-0.047,f=-0.059) USER MOD Single : A 45 MET CE :methyl 143:sc= -2.29 (180deg=-3.49!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN :FLIP amide:sc= -0.163 F(o=-2.8!,f=-0.16) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 MET CE :methyl 168:sc= -6.68! (180deg=-7.03!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot -148:sc= 0.00785 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.0511 K(o=-0.051,f=-0.98) USER MOD Single : A 88 MET CE :methyl -159:sc= -4.56! (180deg=-6.47!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ -162:sc= -0.107 (180deg=-0.584) USER MOD Single : A 95 THR OG1 : rot 73:sc= 1.29 USER MOD Single : A 98 LYS NZ :NH3+ 157:sc= -0.0668 (180deg=-0.737) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 ASN : amide:sc= -0.285 K(o=-0.29,f=-3.5!) USER MOD Single : A 102 LYS NZ :NH3+ 170:sc=-0.00684 (180deg=-0.142) USER MOD Single : A 105 LYS NZ :NH3+ -143:sc= 0 (180deg=-0.425) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.662 -0.715 0.214 1.00 21.33 N ATOM 2 CA MET A 1 2.214 -0.375 -1.092 1.00 23.50 C ATOM 3 C MET A 1 3.546 -1.084 -1.320 1.00 73.05 C ATOM 4 O MET A 1 4.096 -1.703 -0.409 1.00 45.31 O ATOM 5 CB MET A 1 2.402 1.138 -1.212 1.00 54.12 C ATOM 6 CG MET A 1 2.644 1.828 0.120 1.00 11.33 C ATOM 7 SD MET A 1 4.107 1.205 0.969 1.00 24.03 S ATOM 8 CE MET A 1 5.328 1.312 -0.337 1.00 40.11 C ATOM 0 H1 MET A 1 0.773 -0.195 0.361 1.00 21.33 H new ATOM 0 H2 MET A 1 1.476 -1.737 0.257 1.00 21.33 H new ATOM 0 H3 MET A 1 2.342 -0.455 0.957 1.00 21.33 H new ATOM 0 HA MET A 1 1.510 -0.708 -1.854 1.00 23.50 H new ATOM 0 HB2 MET A 1 3.244 1.340 -1.875 1.00 54.12 H new ATOM 0 HB3 MET A 1 1.517 1.570 -1.680 1.00 54.12 H new ATOM 0 HG2 MET A 1 2.753 2.900 -0.045 1.00 11.33 H new ATOM 0 HG3 MET A 1 1.772 1.691 0.759 1.00 11.33 H new ATOM 0 HE1 MET A 1 5.806 0.341 -0.468 1.00 40.11 H new ATOM 0 HE2 MET A 1 4.841 1.605 -1.267 1.00 40.11 H new ATOM 0 HE3 MET A 1 6.081 2.054 -0.071 1.00 40.11 H new ATOM 18 N THR A 2 4.059 -0.990 -2.543 1.00 72.44 N ATOM 19 CA THR A 2 5.324 -1.623 -2.892 1.00 25.43 C ATOM 20 C THR A 2 6.445 -0.595 -2.988 1.00 5.00 C ATOM 21 O THR A 2 6.352 0.371 -3.746 1.00 40.31 O ATOM 22 CB THR A 2 5.224 -2.383 -4.228 1.00 53.10 C ATOM 23 OG1 THR A 2 3.879 -2.829 -4.438 1.00 42.40 O ATOM 24 CG2 THR A 2 6.167 -3.576 -4.245 1.00 4.11 C ATOM 0 H THR A 2 3.617 -0.481 -3.309 1.00 72.44 H new ATOM 0 HA THR A 2 5.552 -2.332 -2.096 1.00 25.43 H new ATOM 0 HB THR A 2 5.511 -1.702 -5.030 1.00 53.10 H new ATOM 0 HG1 THR A 2 3.823 -3.310 -5.290 1.00 42.40 H new ATOM 0 HG21 THR A 2 6.078 -4.097 -5.199 1.00 4.11 H new ATOM 0 HG22 THR A 2 7.193 -3.231 -4.114 1.00 4.11 H new ATOM 0 HG23 THR A 2 5.907 -4.257 -3.434 1.00 4.11 H new ATOM 32 N LEU A 3 7.506 -0.808 -2.216 1.00 75.44 N ATOM 33 CA LEU A 3 8.647 0.101 -2.215 1.00 74.43 C ATOM 34 C LEU A 3 9.914 -0.616 -2.669 1.00 23.34 C ATOM 35 O LEU A 3 10.314 -1.623 -2.082 1.00 14.11 O ATOM 36 CB LEU A 3 8.852 0.691 -0.819 1.00 63.22 C ATOM 37 CG LEU A 3 8.952 2.215 -0.743 1.00 33.33 C ATOM 38 CD1 LEU A 3 7.871 2.864 -1.594 1.00 24.41 C ATOM 39 CD2 LEU A 3 8.849 2.684 0.701 1.00 2.13 C ATOM 0 H LEU A 3 7.599 -1.602 -1.583 1.00 75.44 H new ATOM 0 HA LEU A 3 8.438 0.909 -2.916 1.00 74.43 H new ATOM 0 HB2 LEU A 3 8.026 0.369 -0.185 1.00 63.22 H new ATOM 0 HB3 LEU A 3 9.762 0.266 -0.397 1.00 63.22 H new ATOM 0 HG LEU A 3 9.924 2.516 -1.134 1.00 33.33 H new ATOM 0 HD11 LEU A 3 7.958 3.949 -1.528 1.00 24.41 H new ATOM 0 HD12 LEU A 3 7.990 2.553 -2.632 1.00 24.41 H new ATOM 0 HD13 LEU A 3 6.890 2.556 -1.233 1.00 24.41 H new ATOM 0 HD21 LEU A 3 8.922 3.771 0.737 1.00 2.13 H new ATOM 0 HD22 LEU A 3 7.892 2.371 1.118 1.00 2.13 H new ATOM 0 HD23 LEU A 3 9.659 2.247 1.284 1.00 2.13 H new ATOM 51 N CYS A 4 10.543 -0.091 -3.714 1.00 3.52 N ATOM 52 CA CYS A 4 11.767 -0.680 -4.245 1.00 44.51 C ATOM 53 C CYS A 4 12.915 0.324 -4.206 1.00 41.24 C ATOM 54 O CYS A 4 12.696 1.534 -4.247 1.00 10.51 O ATOM 55 CB CYS A 4 11.545 -1.163 -5.679 1.00 12.01 C ATOM 56 SG CYS A 4 12.295 -0.106 -6.939 1.00 42.22 S ATOM 0 H CYS A 4 10.226 0.742 -4.211 1.00 3.52 H new ATOM 0 HA CYS A 4 12.032 -1.532 -3.619 1.00 44.51 H new ATOM 0 HB2 CYS A 4 11.949 -2.171 -5.778 1.00 12.01 H new ATOM 0 HB3 CYS A 4 10.473 -1.229 -5.867 1.00 12.01 H new ATOM 0 HG CYS A 4 12.054 -0.598 -8.118 1.00 42.22 H new ATOM 62 N ALA A 5 14.139 -0.187 -4.126 1.00 21.20 N ATOM 63 CA ALA A 5 15.321 0.664 -4.082 1.00 4.21 C ATOM 64 C ALA A 5 16.424 0.120 -4.985 1.00 15.44 C ATOM 65 O ALA A 5 16.597 -1.092 -5.107 1.00 11.24 O ATOM 66 CB ALA A 5 15.824 0.795 -2.652 1.00 4.31 C ATOM 0 H ALA A 5 14.338 -1.187 -4.090 1.00 21.20 H new ATOM 0 HA ALA A 5 15.041 1.651 -4.449 1.00 4.21 H new ATOM 0 HB1 ALA A 5 16.707 1.433 -2.634 1.00 4.31 H new ATOM 0 HB2 ALA A 5 15.044 1.237 -2.031 1.00 4.31 H new ATOM 0 HB3 ALA A 5 16.081 -0.191 -2.265 1.00 4.31 H new ATOM 72 N MET A 6 17.165 1.025 -5.616 1.00 23.34 N ATOM 73 CA MET A 6 18.251 0.634 -6.507 1.00 43.41 C ATOM 74 C MET A 6 19.590 1.157 -5.995 1.00 32.54 C ATOM 75 O MET A 6 19.749 2.354 -5.754 1.00 31.51 O ATOM 76 CB MET A 6 17.993 1.160 -7.921 1.00 22.34 C ATOM 77 CG MET A 6 19.098 0.818 -8.907 1.00 3.40 C ATOM 78 SD MET A 6 19.032 1.826 -10.401 1.00 35.02 S ATOM 79 CE MET A 6 19.491 3.429 -9.749 1.00 4.55 C ATOM 0 H MET A 6 17.034 2.033 -5.527 1.00 23.34 H new ATOM 0 HA MET A 6 18.292 -0.455 -6.533 1.00 43.41 H new ATOM 0 HB2 MET A 6 17.051 0.750 -8.286 1.00 22.34 H new ATOM 0 HB3 MET A 6 17.875 2.243 -7.881 1.00 22.34 H new ATOM 0 HG2 MET A 6 20.066 0.954 -8.424 1.00 3.40 H new ATOM 0 HG3 MET A 6 19.023 -0.235 -9.180 1.00 3.40 H new ATOM 0 HE1 MET A 6 19.922 4.036 -10.545 1.00 4.55 H new ATOM 0 HE2 MET A 6 18.607 3.927 -9.351 1.00 4.55 H new ATOM 0 HE3 MET A 6 20.225 3.302 -8.953 1.00 4.55 H new ATOM 89 N TYR A 7 20.548 0.252 -5.830 1.00 5.14 N ATOM 90 CA TYR A 7 21.872 0.622 -5.343 1.00 23.41 C ATOM 91 C TYR A 7 22.954 0.202 -6.334 1.00 53.51 C ATOM 92 O TYR A 7 22.836 -0.825 -7.000 1.00 23.21 O ATOM 93 CB TYR A 7 22.136 -0.022 -3.981 1.00 20.52 C ATOM 94 CG TYR A 7 22.488 -1.491 -4.063 1.00 52.31 C ATOM 95 CD1 TYR A 7 21.527 -2.437 -4.398 1.00 63.31 C ATOM 96 CD2 TYR A 7 23.780 -1.931 -3.805 1.00 72.51 C ATOM 97 CE1 TYR A 7 21.844 -3.780 -4.474 1.00 33.01 C ATOM 98 CE2 TYR A 7 24.106 -3.272 -3.880 1.00 15.20 C ATOM 99 CZ TYR A 7 23.134 -4.192 -4.214 1.00 61.25 C ATOM 100 OH TYR A 7 23.454 -5.528 -4.289 1.00 23.43 O ATOM 0 H TYR A 7 20.433 -0.742 -6.026 1.00 5.14 H new ATOM 0 HA TYR A 7 21.902 1.706 -5.237 1.00 23.41 H new ATOM 0 HB2 TYR A 7 22.949 0.511 -3.488 1.00 20.52 H new ATOM 0 HB3 TYR A 7 21.252 0.097 -3.355 1.00 20.52 H new ATOM 0 HD1 TYR A 7 20.516 -2.118 -4.602 1.00 63.31 H new ATOM 0 HD2 TYR A 7 24.543 -1.213 -3.541 1.00 72.51 H new ATOM 0 HE1 TYR A 7 21.085 -4.503 -4.736 1.00 33.01 H new ATOM 0 HE2 TYR A 7 25.116 -3.598 -3.678 1.00 15.20 H new ATOM 0 HH TYR A 7 24.150 -5.660 -4.966 1.00 23.43 H new ATOM 110 N ASN A 8 24.008 1.007 -6.425 1.00 13.10 N ATOM 111 CA ASN A 8 25.111 0.721 -7.334 1.00 65.03 C ATOM 112 C ASN A 8 26.411 0.510 -6.563 1.00 50.32 C ATOM 113 O ASN A 8 26.748 1.289 -5.671 1.00 1.20 O ATOM 114 CB ASN A 8 25.281 1.862 -8.339 1.00 51.31 C ATOM 115 CG ASN A 8 25.969 3.070 -7.732 1.00 62.40 C ATOM 116 OD1 ASN A 8 25.315 4.015 -7.291 1.00 70.41 O ATOM 117 ND2 ASN A 8 27.297 3.043 -7.707 1.00 53.11 N ATOM 0 H ASN A 8 24.121 1.862 -5.880 1.00 13.10 H new ATOM 0 HA ASN A 8 24.875 -0.197 -7.873 1.00 65.03 H new ATOM 0 HB2 ASN A 8 25.860 1.508 -9.192 1.00 51.31 H new ATOM 0 HB3 ASN A 8 24.303 2.157 -8.718 1.00 51.31 H new ATOM 0 HD21 ASN A 8 27.816 3.827 -7.311 1.00 53.11 H new ATOM 0 HD22 ASN A 8 27.798 2.238 -8.084 1.00 53.11 H new ATOM 124 N ILE A 9 27.136 -0.547 -6.914 1.00 11.52 N ATOM 125 CA ILE A 9 28.399 -0.858 -6.256 1.00 73.31 C ATOM 126 C ILE A 9 29.569 -0.736 -7.226 1.00 73.25 C ATOM 127 O ILE A 9 29.529 -1.273 -8.333 1.00 62.43 O ATOM 128 CB ILE A 9 28.387 -2.278 -5.659 1.00 63.14 C ATOM 129 CG1 ILE A 9 27.611 -3.231 -6.571 1.00 24.55 C ATOM 130 CG2 ILE A 9 27.782 -2.261 -4.264 1.00 24.14 C ATOM 131 CD1 ILE A 9 27.493 -4.634 -6.017 1.00 24.31 C ATOM 0 H ILE A 9 26.871 -1.202 -7.650 1.00 11.52 H new ATOM 0 HA ILE A 9 28.522 -0.135 -5.450 1.00 73.31 H new ATOM 0 HB ILE A 9 29.415 -2.633 -5.583 1.00 63.14 H new ATOM 0 HG12 ILE A 9 26.611 -2.829 -6.737 1.00 24.55 H new ATOM 0 HG13 ILE A 9 28.103 -3.273 -7.543 1.00 24.55 H new ATOM 0 HG21 ILE A 9 27.781 -3.272 -3.856 1.00 24.14 H new ATOM 0 HG22 ILE A 9 28.372 -1.610 -3.619 1.00 24.14 H new ATOM 0 HG23 ILE A 9 26.759 -1.889 -4.316 1.00 24.14 H new ATOM 0 HD11 ILE A 9 26.931 -5.255 -6.715 1.00 24.31 H new ATOM 0 HD12 ILE A 9 28.489 -5.055 -5.877 1.00 24.31 H new ATOM 0 HD13 ILE A 9 26.974 -4.604 -5.059 1.00 24.31 H new ATOM 143 N SER A 10 30.610 -0.027 -6.803 1.00 23.52 N ATOM 144 CA SER A 10 31.792 0.167 -7.635 1.00 11.01 C ATOM 145 C SER A 10 33.016 -0.486 -7.001 1.00 63.31 C ATOM 146 O SER A 10 33.373 -0.188 -5.862 1.00 15.34 O ATOM 147 CB SER A 10 32.050 1.660 -7.850 1.00 61.41 C ATOM 148 OG SER A 10 32.754 1.886 -9.059 1.00 4.34 O ATOM 0 H SER A 10 30.659 0.423 -5.889 1.00 23.52 H new ATOM 0 HA SER A 10 31.609 -0.306 -8.600 1.00 11.01 H new ATOM 0 HB2 SER A 10 31.102 2.197 -7.872 1.00 61.41 H new ATOM 0 HB3 SER A 10 32.622 2.058 -7.012 1.00 61.41 H new ATOM 0 HG SER A 10 33.706 2.012 -8.864 1.00 4.34 H new ATOM 154 N MET A 11 33.656 -1.380 -7.749 1.00 10.34 N ATOM 155 CA MET A 11 34.841 -2.075 -7.261 1.00 24.11 C ATOM 156 C MET A 11 36.106 -1.286 -7.585 1.00 22.25 C ATOM 157 O MET A 11 37.215 -1.717 -7.271 1.00 21.35 O ATOM 158 CB MET A 11 34.927 -3.474 -7.875 1.00 44.44 C ATOM 159 CG MET A 11 35.164 -3.464 -9.377 1.00 23.11 C ATOM 160 SD MET A 11 33.650 -3.726 -10.321 1.00 3.05 S ATOM 161 CE MET A 11 34.123 -3.055 -11.912 1.00 42.04 C ATOM 0 H MET A 11 33.374 -1.639 -8.694 1.00 10.34 H new ATOM 0 HA MET A 11 34.758 -2.166 -6.178 1.00 24.11 H new ATOM 0 HB2 MET A 11 35.734 -4.025 -7.392 1.00 44.44 H new ATOM 0 HB3 MET A 11 34.003 -4.012 -7.665 1.00 44.44 H new ATOM 0 HG2 MET A 11 35.606 -2.510 -9.665 1.00 23.11 H new ATOM 0 HG3 MET A 11 35.886 -4.240 -9.632 1.00 23.11 H new ATOM 0 HE1 MET A 11 33.288 -3.145 -12.607 1.00 42.04 H new ATOM 0 HE2 MET A 11 34.390 -2.004 -11.799 1.00 42.04 H new ATOM 0 HE3 MET A 11 34.979 -3.607 -12.300 1.00 42.04 H new ATOM 171 N ALA A 12 35.931 -0.129 -8.214 1.00 45.12 N ATOM 172 CA ALA A 12 37.059 0.720 -8.578 1.00 52.35 C ATOM 173 C ALA A 12 36.590 1.966 -9.322 1.00 53.31 C ATOM 174 O ALA A 12 35.399 2.277 -9.344 1.00 65.42 O ATOM 175 CB ALA A 12 38.054 -0.059 -9.425 1.00 44.42 C ATOM 0 H ALA A 12 35.020 0.242 -8.482 1.00 45.12 H new ATOM 0 HA ALA A 12 37.552 1.040 -7.660 1.00 52.35 H new ATOM 0 HB1 ALA A 12 38.891 0.587 -9.690 1.00 44.42 H new ATOM 0 HB2 ALA A 12 38.421 -0.915 -8.859 1.00 44.42 H new ATOM 0 HB3 ALA A 12 37.564 -0.408 -10.334 1.00 44.42 H new ATOM 181 N GLY A 13 37.534 2.678 -9.930 1.00 62.11 N ATOM 182 CA GLY A 13 37.197 3.883 -10.666 1.00 23.43 C ATOM 183 C GLY A 13 36.776 3.592 -12.092 1.00 75.04 C ATOM 184 O GLY A 13 37.186 4.286 -13.022 1.00 42.50 O ATOM 0 H GLY A 13 38.526 2.442 -9.926 1.00 62.11 H new ATOM 0 HA2 GLY A 13 36.390 4.406 -10.152 1.00 23.43 H new ATOM 0 HA3 GLY A 13 38.057 4.553 -10.674 1.00 23.43 H new ATOM 188 N SER A 14 35.954 2.561 -12.267 1.00 4.41 N ATOM 189 CA SER A 14 35.481 2.177 -13.591 1.00 62.34 C ATOM 190 C SER A 14 33.975 1.935 -13.581 1.00 71.01 C ATOM 191 O SER A 14 33.380 1.698 -12.529 1.00 74.35 O ATOM 192 CB SER A 14 36.208 0.918 -14.070 1.00 51.53 C ATOM 193 OG SER A 14 37.581 1.180 -14.304 1.00 52.31 O ATOM 0 H SER A 14 35.602 1.977 -11.508 1.00 4.41 H new ATOM 0 HA SER A 14 35.695 2.996 -14.278 1.00 62.34 H new ATOM 0 HB2 SER A 14 36.107 0.130 -13.324 1.00 51.53 H new ATOM 0 HB3 SER A 14 35.743 0.552 -14.985 1.00 51.53 H new ATOM 0 HG SER A 14 38.023 0.360 -14.607 1.00 52.31 H new ATOM 199 N HIS A 15 33.364 1.997 -14.760 1.00 52.00 N ATOM 200 CA HIS A 15 31.926 1.784 -14.888 1.00 45.42 C ATOM 201 C HIS A 15 31.419 0.837 -13.805 1.00 54.51 C ATOM 202 O HIS A 15 31.605 -0.378 -13.871 1.00 44.44 O ATOM 203 CB HIS A 15 31.594 1.222 -16.271 1.00 21.14 C ATOM 204 CG HIS A 15 30.154 1.378 -16.650 1.00 74.41 C ATOM 205 ND1 HIS A 15 29.391 2.466 -16.281 1.00 24.22 N ATOM 206 CD2 HIS A 15 29.337 0.576 -17.372 1.00 73.51 C ATOM 207 CE1 HIS A 15 28.167 2.325 -16.758 1.00 5.43 C ATOM 208 NE2 HIS A 15 28.108 1.187 -17.424 1.00 61.33 N ATOM 0 H HIS A 15 33.841 2.193 -15.640 1.00 52.00 H new ATOM 0 HA HIS A 15 31.428 2.746 -14.766 1.00 45.42 H new ATOM 0 HB2 HIS A 15 32.214 1.722 -17.016 1.00 21.14 H new ATOM 0 HB3 HIS A 15 31.856 0.164 -16.297 1.00 21.14 H new ATOM 0 HD2 HIS A 15 29.602 -0.369 -17.823 1.00 73.51 H new ATOM 0 HE1 HIS A 15 27.353 3.022 -16.625 1.00 5.43 H new ATOM 0 HE2 HIS A 15 27.284 0.821 -17.900 1.00 61.33 H new ATOM 216 N PRO A 16 30.761 1.405 -12.783 1.00 24.12 N ATOM 217 CA PRO A 16 30.214 0.629 -11.666 1.00 14.41 C ATOM 218 C PRO A 16 29.023 -0.227 -12.084 1.00 22.13 C ATOM 219 O PRO A 16 28.611 -0.213 -13.244 1.00 63.22 O ATOM 220 CB PRO A 16 29.775 1.705 -10.669 1.00 32.21 C ATOM 221 CG PRO A 16 29.519 2.913 -11.503 1.00 21.34 C ATOM 222 CD PRO A 16 30.502 2.847 -12.639 1.00 1.33 C ATOM 0 HA PRO A 16 30.942 -0.074 -11.262 1.00 14.41 H new ATOM 0 HB2 PRO A 16 28.879 1.401 -10.127 1.00 32.21 H new ATOM 0 HB3 PRO A 16 30.549 1.894 -9.925 1.00 32.21 H new ATOM 0 HG2 PRO A 16 28.494 2.921 -11.874 1.00 21.34 H new ATOM 0 HG3 PRO A 16 29.655 3.825 -10.921 1.00 21.34 H new ATOM 0 HD2 PRO A 16 30.089 3.274 -13.553 1.00 1.33 H new ATOM 0 HD3 PRO A 16 31.415 3.399 -12.413 1.00 1.33 H new ATOM 230 N THR A 17 28.473 -0.973 -11.130 1.00 52.25 N ATOM 231 CA THR A 17 27.330 -1.836 -11.400 1.00 30.22 C ATOM 232 C THR A 17 26.097 -1.371 -10.634 1.00 30.35 C ATOM 233 O THR A 17 26.162 -1.107 -9.433 1.00 1.45 O ATOM 234 CB THR A 17 27.631 -3.300 -11.026 1.00 2.22 C ATOM 235 OG1 THR A 17 28.964 -3.642 -11.422 1.00 71.40 O ATOM 236 CG2 THR A 17 26.641 -4.243 -11.691 1.00 75.20 C ATOM 0 H THR A 17 28.801 -0.996 -10.164 1.00 52.25 H new ATOM 0 HA THR A 17 27.134 -1.775 -12.470 1.00 30.22 H new ATOM 0 HB THR A 17 27.536 -3.403 -9.945 1.00 2.22 H new ATOM 0 HG1 THR A 17 29.149 -4.573 -11.179 1.00 71.40 H new ATOM 0 HG21 THR A 17 26.874 -5.271 -11.412 1.00 75.20 H new ATOM 0 HG22 THR A 17 25.630 -3.998 -11.365 1.00 75.20 H new ATOM 0 HG23 THR A 17 26.708 -4.137 -12.774 1.00 75.20 H new ATOM 244 N THR A 18 24.972 -1.274 -11.335 1.00 13.01 N ATOM 245 CA THR A 18 23.723 -0.840 -10.721 1.00 22.55 C ATOM 246 C THR A 18 22.772 -2.015 -10.520 1.00 4.13 C ATOM 247 O THR A 18 22.695 -2.913 -11.358 1.00 64.51 O ATOM 248 CB THR A 18 23.021 0.234 -11.573 1.00 22.25 C ATOM 249 OG1 THR A 18 23.964 0.853 -12.455 1.00 21.23 O ATOM 250 CG2 THR A 18 22.377 1.291 -10.688 1.00 24.42 C ATOM 0 H THR A 18 24.900 -1.490 -12.329 1.00 13.01 H new ATOM 0 HA THR A 18 23.979 -0.413 -9.751 1.00 22.55 H new ATOM 0 HB THR A 18 22.240 -0.251 -12.159 1.00 22.25 H new ATOM 0 HG1 THR A 18 23.510 1.533 -12.994 1.00 21.23 H new ATOM 0 HG21 THR A 18 21.887 2.039 -11.312 1.00 24.42 H new ATOM 0 HG22 THR A 18 21.639 0.821 -10.038 1.00 24.42 H new ATOM 0 HG23 THR A 18 23.143 1.772 -10.079 1.00 24.42 H new ATOM 258 N ILE A 19 22.050 -2.001 -9.405 1.00 30.24 N ATOM 259 CA ILE A 19 21.103 -3.065 -9.096 1.00 33.04 C ATOM 260 C ILE A 19 19.817 -2.501 -8.501 1.00 51.42 C ATOM 261 O ILE A 19 19.853 -1.639 -7.621 1.00 64.45 O ATOM 262 CB ILE A 19 21.704 -4.087 -8.112 1.00 43.55 C ATOM 263 CG1 ILE A 19 22.485 -5.160 -8.873 1.00 62.30 C ATOM 264 CG2 ILE A 19 20.608 -4.719 -7.269 1.00 34.11 C ATOM 265 CD1 ILE A 19 22.720 -6.420 -8.069 1.00 42.21 C ATOM 0 H ILE A 19 22.103 -1.265 -8.701 1.00 30.24 H new ATOM 0 HA ILE A 19 20.877 -3.568 -10.036 1.00 33.04 H new ATOM 0 HB ILE A 19 22.392 -3.567 -7.446 1.00 43.55 H new ATOM 0 HG12 ILE A 19 21.943 -5.415 -9.784 1.00 62.30 H new ATOM 0 HG13 ILE A 19 23.447 -4.749 -9.179 1.00 62.30 H new ATOM 0 HG21 ILE A 19 21.049 -5.439 -6.579 1.00 34.11 H new ATOM 0 HG22 ILE A 19 20.091 -3.944 -6.703 1.00 34.11 H new ATOM 0 HG23 ILE A 19 19.897 -5.229 -7.919 1.00 34.11 H new ATOM 0 HD11 ILE A 19 23.279 -7.137 -8.671 1.00 42.21 H new ATOM 0 HD12 ILE A 19 23.289 -6.178 -7.171 1.00 42.21 H new ATOM 0 HD13 ILE A 19 21.762 -6.854 -7.785 1.00 42.21 H new ATOM 277 N CYS A 20 18.682 -2.992 -8.986 1.00 21.43 N ATOM 278 CA CYS A 20 17.383 -2.538 -8.502 1.00 4.14 C ATOM 279 C CYS A 20 16.563 -3.707 -7.966 1.00 61.04 C ATOM 280 O CYS A 20 16.224 -4.631 -8.706 1.00 25.55 O ATOM 281 CB CYS A 20 16.617 -1.832 -9.621 1.00 2.40 C ATOM 282 SG CYS A 20 16.549 -2.762 -11.170 1.00 32.12 S ATOM 0 H CYS A 20 18.635 -3.705 -9.714 1.00 21.43 H new ATOM 0 HA CYS A 20 17.552 -1.834 -7.687 1.00 4.14 H new ATOM 0 HB2 CYS A 20 15.600 -1.636 -9.283 1.00 2.40 H new ATOM 0 HB3 CYS A 20 17.082 -0.865 -9.811 1.00 2.40 H new ATOM 0 HG CYS A 20 16.379 -4.025 -10.911 1.00 32.12 H new ATOM 288 N VAL A 21 16.248 -3.660 -6.676 1.00 32.41 N ATOM 289 CA VAL A 21 15.468 -4.716 -6.041 1.00 13.22 C ATOM 290 C VAL A 21 14.476 -4.138 -5.037 1.00 71.24 C ATOM 291 O VAL A 21 14.728 -3.100 -4.426 1.00 42.21 O ATOM 292 CB VAL A 21 16.377 -5.730 -5.322 1.00 34.32 C ATOM 293 CG1 VAL A 21 17.220 -6.498 -6.328 1.00 23.53 C ATOM 294 CG2 VAL A 21 17.258 -5.026 -4.302 1.00 3.32 C ATOM 0 H VAL A 21 16.521 -2.902 -6.050 1.00 32.41 H new ATOM 0 HA VAL A 21 14.922 -5.227 -6.834 1.00 13.22 H new ATOM 0 HB VAL A 21 15.747 -6.444 -4.792 1.00 34.32 H new ATOM 0 HG11 VAL A 21 17.856 -7.210 -5.802 1.00 23.53 H new ATOM 0 HG12 VAL A 21 16.567 -7.035 -7.016 1.00 23.53 H new ATOM 0 HG13 VAL A 21 17.843 -5.801 -6.889 1.00 23.53 H new ATOM 0 HG21 VAL A 21 17.894 -5.758 -3.804 1.00 3.32 H new ATOM 0 HG22 VAL A 21 17.881 -4.288 -4.807 1.00 3.32 H new ATOM 0 HG23 VAL A 21 16.631 -4.527 -3.563 1.00 3.32 H new ATOM 304 N VAL A 22 13.346 -4.818 -4.872 1.00 31.41 N ATOM 305 CA VAL A 22 12.315 -4.374 -3.941 1.00 25.10 C ATOM 306 C VAL A 22 12.815 -4.429 -2.502 1.00 12.25 C ATOM 307 O VAL A 22 13.725 -5.192 -2.178 1.00 52.42 O ATOM 308 CB VAL A 22 11.041 -5.231 -4.064 1.00 2.44 C ATOM 309 CG1 VAL A 22 10.353 -4.977 -5.396 1.00 44.14 C ATOM 310 CG2 VAL A 22 11.373 -6.706 -3.898 1.00 3.21 C ATOM 0 H VAL A 22 13.121 -5.679 -5.371 1.00 31.41 H new ATOM 0 HA VAL A 22 12.076 -3.343 -4.201 1.00 25.10 H new ATOM 0 HB VAL A 22 10.354 -4.945 -3.268 1.00 2.44 H new ATOM 0 HG11 VAL A 22 9.455 -5.591 -5.465 1.00 44.14 H new ATOM 0 HG12 VAL A 22 10.079 -3.925 -5.469 1.00 44.14 H new ATOM 0 HG13 VAL A 22 11.031 -5.233 -6.210 1.00 44.14 H new ATOM 0 HG21 VAL A 22 10.461 -7.297 -3.988 1.00 3.21 H new ATOM 0 HG22 VAL A 22 12.079 -7.009 -4.671 1.00 3.21 H new ATOM 0 HG23 VAL A 22 11.817 -6.871 -2.916 1.00 3.21 H new ATOM 320 N MET A 23 12.212 -3.615 -1.641 1.00 4.12 N ATOM 321 CA MET A 23 12.595 -3.572 -0.234 1.00 61.02 C ATOM 322 C MET A 23 12.556 -4.967 0.383 1.00 41.44 C ATOM 323 O MET A 23 13.389 -5.308 1.222 1.00 1.45 O ATOM 324 CB MET A 23 11.668 -2.633 0.540 1.00 22.12 C ATOM 325 CG MET A 23 10.206 -3.045 0.490 1.00 31.34 C ATOM 326 SD MET A 23 9.688 -3.946 1.964 1.00 14.21 S ATOM 327 CE MET A 23 8.384 -2.879 2.572 1.00 51.51 C ATOM 0 H MET A 23 11.457 -2.977 -1.893 1.00 4.12 H new ATOM 0 HA MET A 23 13.616 -3.195 -0.172 1.00 61.02 H new ATOM 0 HB2 MET A 23 11.990 -2.594 1.580 1.00 22.12 H new ATOM 0 HB3 MET A 23 11.767 -1.625 0.137 1.00 22.12 H new ATOM 0 HG2 MET A 23 9.586 -2.156 0.375 1.00 31.34 H new ATOM 0 HG3 MET A 23 10.038 -3.667 -0.389 1.00 31.34 H new ATOM 0 HE1 MET A 23 7.963 -3.303 3.484 1.00 51.51 H new ATOM 0 HE2 MET A 23 8.792 -1.891 2.786 1.00 51.51 H new ATOM 0 HE3 MET A 23 7.603 -2.793 1.817 1.00 51.51 H new ATOM 337 N ASP A 24 11.584 -5.768 -0.039 1.00 62.01 N ATOM 338 CA ASP A 24 11.437 -7.126 0.472 1.00 64.15 C ATOM 339 C ASP A 24 12.712 -7.933 0.243 1.00 75.32 C ATOM 340 O ASP A 24 13.113 -8.731 1.090 1.00 21.01 O ATOM 341 CB ASP A 24 10.251 -7.821 -0.199 1.00 44.34 C ATOM 342 CG ASP A 24 10.011 -9.214 0.348 1.00 41.11 C ATOM 343 OD1 ASP A 24 10.007 -9.373 1.587 1.00 44.42 O ATOM 344 OD2 ASP A 24 9.826 -10.145 -0.463 1.00 31.54 O ATOM 0 H ASP A 24 10.886 -5.501 -0.733 1.00 62.01 H new ATOM 0 HA ASP A 24 11.253 -7.067 1.545 1.00 64.15 H new ATOM 0 HB2 ASP A 24 9.353 -7.219 -0.058 1.00 44.34 H new ATOM 0 HB3 ASP A 24 10.429 -7.881 -1.273 1.00 44.34 H new ATOM 349 N ARG A 25 13.342 -7.721 -0.908 1.00 32.12 N ATOM 350 CA ARG A 25 14.569 -8.431 -1.249 1.00 11.41 C ATOM 351 C ARG A 25 15.784 -7.520 -1.098 1.00 14.43 C ATOM 352 O ARG A 25 16.926 -7.974 -1.164 1.00 32.31 O ATOM 353 CB ARG A 25 14.493 -8.964 -2.681 1.00 24.44 C ATOM 354 CG ARG A 25 13.319 -9.899 -2.921 1.00 51.31 C ATOM 355 CD ARG A 25 13.396 -10.549 -4.293 1.00 64.15 C ATOM 356 NE ARG A 25 12.146 -11.209 -4.658 1.00 33.43 N ATOM 357 CZ ARG A 25 11.967 -11.867 -5.798 1.00 31.11 C ATOM 358 NH1 ARG A 25 12.953 -11.952 -6.680 1.00 22.23 N ATOM 359 NH2 ARG A 25 10.799 -12.442 -6.058 1.00 4.15 N ATOM 0 H ARG A 25 13.023 -7.064 -1.620 1.00 32.12 H new ATOM 0 HA ARG A 25 14.677 -9.270 -0.561 1.00 11.41 H new ATOM 0 HB2 ARG A 25 14.423 -8.122 -3.370 1.00 24.44 H new ATOM 0 HB3 ARG A 25 15.419 -9.490 -2.914 1.00 24.44 H new ATOM 0 HG2 ARG A 25 13.304 -10.671 -2.152 1.00 51.31 H new ATOM 0 HG3 ARG A 25 12.386 -9.343 -2.832 1.00 51.31 H new ATOM 0 HD2 ARG A 25 13.637 -9.792 -5.039 1.00 64.15 H new ATOM 0 HD3 ARG A 25 14.207 -11.277 -4.304 1.00 64.15 H new ATOM 0 HE ARG A 25 11.367 -11.162 -4.001 1.00 33.43 H new ATOM 0 HH11 ARG A 25 13.852 -11.512 -6.484 1.00 22.23 H new ATOM 0 HH12 ARG A 25 12.813 -12.458 -7.555 1.00 22.23 H new ATOM 0 HH21 ARG A 25 10.038 -12.379 -5.382 1.00 4.15 H new ATOM 0 HH22 ARG A 25 10.663 -12.947 -6.934 1.00 4.15 H new ATOM 373 N PHE A 26 15.529 -6.231 -0.895 1.00 72.20 N ATOM 374 CA PHE A 26 16.601 -5.256 -0.736 1.00 0.30 C ATOM 375 C PHE A 26 17.402 -5.530 0.533 1.00 21.14 C ATOM 376 O PHE A 26 18.634 -5.508 0.521 1.00 33.11 O ATOM 377 CB PHE A 26 16.027 -3.838 -0.694 1.00 2.11 C ATOM 378 CG PHE A 26 17.074 -2.765 -0.784 1.00 41.45 C ATOM 379 CD1 PHE A 26 18.146 -2.896 -1.652 1.00 42.42 C ATOM 380 CD2 PHE A 26 16.986 -1.625 -0.001 1.00 42.03 C ATOM 381 CE1 PHE A 26 19.111 -1.910 -1.738 1.00 41.43 C ATOM 382 CE2 PHE A 26 17.948 -0.636 -0.083 1.00 53.44 C ATOM 383 CZ PHE A 26 19.012 -0.779 -0.952 1.00 1.41 C ATOM 0 H PHE A 26 14.589 -5.838 -0.837 1.00 72.20 H new ATOM 0 HA PHE A 26 17.269 -5.345 -1.592 1.00 0.30 H new ATOM 0 HB2 PHE A 26 15.321 -3.716 -1.516 1.00 2.11 H new ATOM 0 HB3 PHE A 26 15.465 -3.709 0.231 1.00 2.11 H new ATOM 0 HD1 PHE A 26 18.229 -3.779 -2.269 1.00 42.42 H new ATOM 0 HD2 PHE A 26 16.157 -1.508 0.681 1.00 42.03 H new ATOM 0 HE1 PHE A 26 19.941 -2.024 -2.419 1.00 41.43 H new ATOM 0 HE2 PHE A 26 17.868 0.248 0.532 1.00 53.44 H new ATOM 0 HZ PHE A 26 19.765 -0.008 -1.017 1.00 1.41 H new ATOM 393 N LEU A 27 16.695 -5.788 1.628 1.00 52.12 N ATOM 394 CA LEU A 27 17.339 -6.066 2.907 1.00 75.40 C ATOM 395 C LEU A 27 18.253 -7.283 2.803 1.00 42.41 C ATOM 396 O LEU A 27 19.408 -7.240 3.225 1.00 1.13 O ATOM 397 CB LEU A 27 16.284 -6.298 3.991 1.00 24.01 C ATOM 398 CG LEU A 27 16.775 -6.976 5.271 1.00 64.24 C ATOM 399 CD1 LEU A 27 16.039 -6.427 6.482 1.00 13.23 C ATOM 400 CD2 LEU A 27 16.599 -8.485 5.176 1.00 43.22 C ATOM 0 H LEU A 27 15.676 -5.810 1.656 1.00 52.12 H new ATOM 0 HA LEU A 27 17.945 -5.201 3.177 1.00 75.40 H new ATOM 0 HB2 LEU A 27 15.848 -5.335 4.258 1.00 24.01 H new ATOM 0 HB3 LEU A 27 15.483 -6.904 3.567 1.00 24.01 H new ATOM 0 HG LEU A 27 17.837 -6.761 5.389 1.00 64.24 H new ATOM 0 HD11 LEU A 27 16.402 -6.921 7.383 1.00 13.23 H new ATOM 0 HD12 LEU A 27 16.216 -5.354 6.560 1.00 13.23 H new ATOM 0 HD13 LEU A 27 14.970 -6.611 6.372 1.00 13.23 H new ATOM 0 HD21 LEU A 27 16.954 -8.951 6.095 1.00 43.22 H new ATOM 0 HD22 LEU A 27 15.544 -8.720 5.033 1.00 43.22 H new ATOM 0 HD23 LEU A 27 17.173 -8.866 4.331 1.00 43.22 H new ATOM 412 N GLU A 28 17.729 -8.364 2.236 1.00 74.51 N ATOM 413 CA GLU A 28 18.499 -9.592 2.075 1.00 3.13 C ATOM 414 C GLU A 28 19.605 -9.408 1.040 1.00 70.43 C ATOM 415 O GLU A 28 20.753 -9.791 1.267 1.00 12.30 O ATOM 416 CB GLU A 28 17.583 -10.745 1.660 1.00 22.15 C ATOM 417 CG GLU A 28 18.066 -12.106 2.134 1.00 75.03 C ATOM 418 CD GLU A 28 17.046 -13.202 1.893 1.00 31.33 C ATOM 419 OE1 GLU A 28 16.139 -12.995 1.060 1.00 34.43 O ATOM 420 OE2 GLU A 28 17.155 -14.266 2.538 1.00 74.22 O ATOM 0 H GLU A 28 16.774 -8.415 1.880 1.00 74.51 H new ATOM 0 HA GLU A 28 18.958 -9.831 3.034 1.00 3.13 H new ATOM 0 HB2 GLU A 28 16.584 -10.565 2.056 1.00 22.15 H new ATOM 0 HB3 GLU A 28 17.497 -10.757 0.573 1.00 22.15 H new ATOM 0 HG2 GLU A 28 18.993 -12.358 1.619 1.00 75.03 H new ATOM 0 HG3 GLU A 28 18.296 -12.056 3.198 1.00 75.03 H new ATOM 427 N SER A 29 19.250 -8.821 -0.099 1.00 31.23 N ATOM 428 CA SER A 29 20.210 -8.591 -1.172 1.00 1.53 C ATOM 429 C SER A 29 21.417 -7.809 -0.662 1.00 41.10 C ATOM 430 O SER A 29 22.557 -8.262 -0.773 1.00 55.21 O ATOM 431 CB SER A 29 19.547 -7.833 -2.324 1.00 21.12 C ATOM 432 OG SER A 29 18.668 -8.675 -3.049 1.00 30.31 O ATOM 0 H SER A 29 18.305 -8.496 -0.302 1.00 31.23 H new ATOM 0 HA SER A 29 20.553 -9.560 -1.534 1.00 1.53 H new ATOM 0 HB2 SER A 29 18.996 -6.978 -1.932 1.00 21.12 H new ATOM 0 HB3 SER A 29 20.312 -7.439 -2.993 1.00 21.12 H new ATOM 0 HG SER A 29 17.792 -8.688 -2.611 1.00 30.31 H new ATOM 438 N PHE A 30 21.158 -6.632 -0.103 1.00 2.45 N ATOM 439 CA PHE A 30 22.222 -5.785 0.424 1.00 4.10 C ATOM 440 C PHE A 30 23.060 -6.540 1.451 1.00 25.43 C ATOM 441 O PHE A 30 24.290 -6.531 1.393 1.00 70.00 O ATOM 442 CB PHE A 30 21.633 -4.524 1.058 1.00 13.44 C ATOM 443 CG PHE A 30 22.280 -3.254 0.583 1.00 61.53 C ATOM 444 CD1 PHE A 30 23.631 -3.223 0.275 1.00 73.53 C ATOM 445 CD2 PHE A 30 21.538 -2.093 0.443 1.00 41.20 C ATOM 446 CE1 PHE A 30 24.229 -2.057 -0.162 1.00 52.25 C ATOM 447 CE2 PHE A 30 22.131 -0.923 0.006 1.00 72.12 C ATOM 448 CZ PHE A 30 23.478 -0.906 -0.298 1.00 52.53 C ATOM 0 H PHE A 30 20.221 -6.243 -0.003 1.00 2.45 H new ATOM 0 HA PHE A 30 22.868 -5.498 -0.406 1.00 4.10 H new ATOM 0 HB2 PHE A 30 20.566 -4.482 0.840 1.00 13.44 H new ATOM 0 HB3 PHE A 30 21.734 -4.591 2.141 1.00 13.44 H new ATOM 0 HD1 PHE A 30 24.223 -4.121 0.378 1.00 73.53 H new ATOM 0 HD2 PHE A 30 20.484 -2.102 0.678 1.00 41.20 H new ATOM 0 HE1 PHE A 30 25.283 -2.045 -0.397 1.00 52.25 H new ATOM 0 HE2 PHE A 30 21.542 -0.024 -0.097 1.00 72.12 H new ATOM 0 HZ PHE A 30 23.943 0.006 -0.642 1.00 52.53 H new ATOM 458 N SER A 31 22.385 -7.193 2.392 1.00 65.42 N ATOM 459 CA SER A 31 23.067 -7.951 3.435 1.00 12.32 C ATOM 460 C SER A 31 24.038 -8.958 2.829 1.00 64.54 C ATOM 461 O SER A 31 25.174 -9.093 3.284 1.00 53.33 O ATOM 462 CB SER A 31 22.048 -8.675 4.317 1.00 11.12 C ATOM 463 OG SER A 31 22.694 -9.462 5.302 1.00 23.32 O ATOM 0 H SER A 31 21.367 -7.212 2.454 1.00 65.42 H new ATOM 0 HA SER A 31 23.634 -7.250 4.047 1.00 12.32 H new ATOM 0 HB2 SER A 31 21.397 -7.946 4.799 1.00 11.12 H new ATOM 0 HB3 SER A 31 21.413 -9.310 3.699 1.00 11.12 H new ATOM 0 HG SER A 31 22.021 -9.913 5.853 1.00 23.32 H new ATOM 469 N GLU A 32 23.583 -9.664 1.798 1.00 34.34 N ATOM 470 CA GLU A 32 24.411 -10.661 1.130 1.00 40.33 C ATOM 471 C GLU A 32 25.514 -9.992 0.314 1.00 60.40 C ATOM 472 O GLU A 32 26.651 -10.466 0.280 1.00 14.00 O ATOM 473 CB GLU A 32 23.553 -11.543 0.221 1.00 73.03 C ATOM 474 CG GLU A 32 24.221 -12.852 -0.165 1.00 3.12 C ATOM 475 CD GLU A 32 24.216 -13.864 0.964 1.00 72.40 C ATOM 476 OE1 GLU A 32 25.099 -13.779 1.842 1.00 21.44 O ATOM 477 OE2 GLU A 32 23.327 -14.742 0.968 1.00 21.04 O ATOM 0 H GLU A 32 22.646 -9.564 1.408 1.00 34.34 H new ATOM 0 HA GLU A 32 24.874 -11.284 1.895 1.00 40.33 H new ATOM 0 HB2 GLU A 32 22.611 -11.760 0.724 1.00 73.03 H new ATOM 0 HB3 GLU A 32 23.310 -10.988 -0.685 1.00 73.03 H new ATOM 0 HG2 GLU A 32 23.710 -13.275 -1.030 1.00 3.12 H new ATOM 0 HG3 GLU A 32 25.250 -12.655 -0.467 1.00 3.12 H new ATOM 484 N LEU A 33 25.171 -8.890 -0.342 1.00 55.25 N ATOM 485 CA LEU A 33 26.131 -8.155 -1.159 1.00 75.22 C ATOM 486 C LEU A 33 27.351 -7.755 -0.337 1.00 65.31 C ATOM 487 O LEU A 33 28.478 -7.770 -0.833 1.00 3.10 O ATOM 488 CB LEU A 33 25.474 -6.910 -1.757 1.00 53.21 C ATOM 489 CG LEU A 33 26.350 -6.069 -2.686 1.00 5.35 C ATOM 490 CD1 LEU A 33 27.248 -5.143 -1.879 1.00 31.22 C ATOM 491 CD2 LEU A 33 27.182 -6.966 -3.591 1.00 2.41 C ATOM 0 H LEU A 33 24.235 -8.485 -0.325 1.00 55.25 H new ATOM 0 HA LEU A 33 26.459 -8.809 -1.967 1.00 75.22 H new ATOM 0 HB2 LEU A 33 24.588 -7.221 -2.310 1.00 53.21 H new ATOM 0 HB3 LEU A 33 25.133 -6.275 -0.939 1.00 53.21 H new ATOM 0 HG LEU A 33 25.700 -5.457 -3.312 1.00 5.35 H new ATOM 0 HD11 LEU A 33 27.864 -4.552 -2.557 1.00 31.22 H new ATOM 0 HD12 LEU A 33 26.633 -4.477 -1.274 1.00 31.22 H new ATOM 0 HD13 LEU A 33 27.891 -5.736 -1.228 1.00 31.22 H new ATOM 0 HD21 LEU A 33 27.799 -6.350 -4.245 1.00 2.41 H new ATOM 0 HD22 LEU A 33 27.823 -7.604 -2.982 1.00 2.41 H new ATOM 0 HD23 LEU A 33 26.521 -7.587 -4.195 1.00 2.41 H new ATOM 503 N TYR A 34 27.120 -7.400 0.922 1.00 71.52 N ATOM 504 CA TYR A 34 28.201 -6.996 1.813 1.00 32.41 C ATOM 505 C TYR A 34 29.135 -8.167 2.102 1.00 65.23 C ATOM 506 O TYR A 34 30.335 -7.982 2.311 1.00 75.15 O ATOM 507 CB TYR A 34 27.632 -6.449 3.123 1.00 10.41 C ATOM 508 CG TYR A 34 28.672 -6.264 4.205 1.00 63.03 C ATOM 509 CD1 TYR A 34 29.396 -5.082 4.305 1.00 14.24 C ATOM 510 CD2 TYR A 34 28.933 -7.272 5.125 1.00 13.41 C ATOM 511 CE1 TYR A 34 30.348 -4.909 5.291 1.00 14.25 C ATOM 512 CE2 TYR A 34 29.882 -7.107 6.115 1.00 13.22 C ATOM 513 CZ TYR A 34 30.587 -5.924 6.194 1.00 14.22 C ATOM 514 OH TYR A 34 31.534 -5.756 7.178 1.00 32.33 O ATOM 0 H TYR A 34 26.194 -7.384 1.349 1.00 71.52 H new ATOM 0 HA TYR A 34 28.773 -6.212 1.317 1.00 32.41 H new ATOM 0 HB2 TYR A 34 27.149 -5.492 2.928 1.00 10.41 H new ATOM 0 HB3 TYR A 34 26.860 -7.128 3.485 1.00 10.41 H new ATOM 0 HD1 TYR A 34 29.211 -4.285 3.600 1.00 14.24 H new ATOM 0 HD2 TYR A 34 28.384 -8.200 5.065 1.00 13.41 H new ATOM 0 HE1 TYR A 34 30.902 -3.984 5.354 1.00 14.25 H new ATOM 0 HE2 TYR A 34 30.071 -7.900 6.823 1.00 13.22 H new ATOM 0 HH TYR A 34 31.578 -6.564 7.731 1.00 32.33 H new ATOM 524 N ASP A 35 28.577 -9.373 2.111 1.00 43.41 N ATOM 525 CA ASP A 35 29.359 -10.575 2.372 1.00 65.42 C ATOM 526 C ASP A 35 30.199 -10.953 1.155 1.00 53.50 C ATOM 527 O ASP A 35 31.306 -11.475 1.290 1.00 14.20 O ATOM 528 CB ASP A 35 28.439 -11.736 2.751 1.00 34.13 C ATOM 529 CG ASP A 35 28.729 -12.277 4.137 1.00 4.45 C ATOM 530 OD1 ASP A 35 28.502 -11.542 5.121 1.00 14.52 O ATOM 531 OD2 ASP A 35 29.184 -13.435 4.239 1.00 61.13 O ATOM 0 H ASP A 35 27.586 -9.544 1.940 1.00 43.41 H new ATOM 0 HA ASP A 35 30.031 -10.367 3.205 1.00 65.42 H new ATOM 0 HB2 ASP A 35 27.402 -11.404 2.704 1.00 34.13 H new ATOM 0 HB3 ASP A 35 28.551 -12.537 2.021 1.00 34.13 H new ATOM 536 N ILE A 36 29.664 -10.685 -0.032 1.00 20.52 N ATOM 537 CA ILE A 36 30.364 -10.997 -1.272 1.00 11.11 C ATOM 538 C ILE A 36 31.200 -9.812 -1.743 1.00 64.34 C ATOM 539 O ILE A 36 32.076 -9.958 -2.597 1.00 31.41 O ATOM 540 CB ILE A 36 29.381 -11.394 -2.389 1.00 14.41 C ATOM 541 CG1 ILE A 36 30.133 -11.634 -3.699 1.00 42.32 C ATOM 542 CG2 ILE A 36 28.322 -10.316 -2.570 1.00 33.24 C ATOM 543 CD1 ILE A 36 30.105 -10.448 -4.638 1.00 61.02 C ATOM 0 H ILE A 36 28.749 -10.253 -0.161 1.00 20.52 H new ATOM 0 HA ILE A 36 31.020 -11.841 -1.061 1.00 11.11 H new ATOM 0 HB ILE A 36 28.884 -12.321 -2.103 1.00 14.41 H new ATOM 0 HG12 ILE A 36 31.170 -11.884 -3.473 1.00 42.32 H new ATOM 0 HG13 ILE A 36 29.700 -12.497 -4.204 1.00 42.32 H new ATOM 0 HG21 ILE A 36 27.635 -10.611 -3.363 1.00 33.24 H new ATOM 0 HG22 ILE A 36 27.769 -10.189 -1.639 1.00 33.24 H new ATOM 0 HG23 ILE A 36 28.803 -9.375 -2.838 1.00 33.24 H new ATOM 0 HD11 ILE A 36 30.658 -10.690 -5.546 1.00 61.02 H new ATOM 0 HD12 ILE A 36 29.072 -10.211 -4.894 1.00 61.02 H new ATOM 0 HD13 ILE A 36 30.565 -9.588 -4.151 1.00 61.02 H new ATOM 555 N ILE A 37 30.926 -8.640 -1.181 1.00 30.20 N ATOM 556 CA ILE A 37 31.655 -7.431 -1.542 1.00 4.12 C ATOM 557 C ILE A 37 33.158 -7.622 -1.365 1.00 51.22 C ATOM 558 O ILE A 37 33.960 -6.918 -1.979 1.00 51.11 O ATOM 559 CB ILE A 37 31.200 -6.226 -0.698 1.00 53.30 C ATOM 560 CG1 ILE A 37 31.626 -4.917 -1.366 1.00 65.12 C ATOM 561 CG2 ILE A 37 31.770 -6.319 0.709 1.00 11.34 C ATOM 562 CD1 ILE A 37 30.853 -4.602 -2.627 1.00 72.23 C ATOM 0 H ILE A 37 30.204 -8.502 -0.474 1.00 30.20 H new ATOM 0 HA ILE A 37 31.437 -7.233 -2.591 1.00 4.12 H new ATOM 0 HB ILE A 37 30.112 -6.240 -0.630 1.00 53.30 H new ATOM 0 HG12 ILE A 37 31.498 -4.099 -0.657 1.00 65.12 H new ATOM 0 HG13 ILE A 37 32.688 -4.969 -1.604 1.00 65.12 H new ATOM 0 HG21 ILE A 37 31.439 -5.460 1.293 1.00 11.34 H new ATOM 0 HG22 ILE A 37 31.421 -7.236 1.183 1.00 11.34 H new ATOM 0 HG23 ILE A 37 32.859 -6.327 0.661 1.00 11.34 H new ATOM 0 HD11 ILE A 37 31.208 -3.661 -3.046 1.00 72.23 H new ATOM 0 HD12 ILE A 37 31.001 -5.401 -3.353 1.00 72.23 H new ATOM 0 HD13 ILE A 37 29.792 -4.517 -2.392 1.00 72.23 H new ATOM 574 N ASP A 38 33.532 -8.579 -0.524 1.00 20.32 N ATOM 575 CA ASP A 38 34.939 -8.866 -0.268 1.00 51.21 C ATOM 576 C ASP A 38 35.629 -9.372 -1.531 1.00 35.50 C ATOM 577 O ASP A 38 36.846 -9.264 -1.670 1.00 63.00 O ATOM 578 CB ASP A 38 35.076 -9.898 0.852 1.00 72.31 C ATOM 579 CG ASP A 38 36.489 -10.431 0.979 1.00 64.15 C ATOM 580 OD1 ASP A 38 37.365 -9.683 1.462 1.00 40.34 O ATOM 581 OD2 ASP A 38 36.720 -11.597 0.595 1.00 1.14 O ATOM 0 H ASP A 38 32.881 -9.170 -0.007 1.00 20.32 H new ATOM 0 HA ASP A 38 35.423 -7.940 0.042 1.00 51.21 H new ATOM 0 HB2 ASP A 38 34.775 -9.446 1.797 1.00 72.31 H new ATOM 0 HB3 ASP A 38 34.394 -10.727 0.664 1.00 72.31 H new ATOM 586 N GLU A 39 34.841 -9.927 -2.447 1.00 40.35 N ATOM 587 CA GLU A 39 35.377 -10.452 -3.698 1.00 3.23 C ATOM 588 C GLU A 39 35.663 -9.323 -4.684 1.00 13.10 C ATOM 589 O GLU A 39 34.995 -8.290 -4.671 1.00 0.30 O ATOM 590 CB GLU A 39 34.399 -11.451 -4.318 1.00 53.15 C ATOM 591 CG GLU A 39 34.661 -12.892 -3.914 1.00 2.33 C ATOM 592 CD GLU A 39 33.904 -13.294 -2.663 1.00 53.32 C ATOM 593 OE1 GLU A 39 33.274 -12.412 -2.043 1.00 12.44 O ATOM 594 OE2 GLU A 39 33.941 -14.489 -2.305 1.00 33.21 O ATOM 0 H GLU A 39 33.831 -10.025 -2.347 1.00 40.35 H new ATOM 0 HA GLU A 39 36.314 -10.963 -3.476 1.00 3.23 H new ATOM 0 HB2 GLU A 39 33.384 -11.180 -4.028 1.00 53.15 H new ATOM 0 HB3 GLU A 39 34.452 -11.372 -5.404 1.00 53.15 H new ATOM 0 HG2 GLU A 39 34.378 -13.552 -4.734 1.00 2.33 H new ATOM 0 HG3 GLU A 39 35.729 -13.030 -3.748 1.00 2.33 H new ATOM 601 N ASN A 40 36.660 -9.529 -5.538 1.00 22.02 N ATOM 602 CA ASN A 40 37.036 -8.529 -6.531 1.00 14.25 C ATOM 603 C ASN A 40 36.855 -9.071 -7.945 1.00 33.51 C ATOM 604 O ASN A 40 36.891 -8.319 -8.919 1.00 31.22 O ATOM 605 CB ASN A 40 38.487 -8.092 -6.321 1.00 60.25 C ATOM 606 CG ASN A 40 38.852 -6.880 -7.156 1.00 10.41 C ATOM 607 OD1 ASN A 40 39.403 -7.008 -8.250 1.00 14.35 O ATOM 608 ND2 ASN A 40 38.546 -5.694 -6.642 1.00 20.13 N ATOM 0 H ASN A 40 37.222 -10.380 -5.563 1.00 22.02 H new ATOM 0 HA ASN A 40 36.382 -7.666 -6.406 1.00 14.25 H new ATOM 0 HB2 ASN A 40 38.646 -7.865 -5.267 1.00 60.25 H new ATOM 0 HB3 ASN A 40 39.152 -8.918 -6.573 1.00 60.25 H new ATOM 0 HD21 ASN A 40 38.767 -4.842 -7.158 1.00 20.13 H new ATOM 0 HD22 ASN A 40 38.090 -5.635 -5.732 1.00 20.13 H new ATOM 615 N ASP A 41 36.659 -10.381 -8.049 1.00 64.34 N ATOM 616 CA ASP A 41 36.471 -11.025 -9.344 1.00 71.32 C ATOM 617 C ASP A 41 35.192 -10.534 -10.014 1.00 54.13 C ATOM 618 O ASP A 41 34.145 -10.423 -9.374 1.00 42.25 O ATOM 619 CB ASP A 41 36.424 -12.545 -9.180 1.00 31.13 C ATOM 620 CG ASP A 41 37.795 -13.182 -9.292 1.00 71.34 C ATOM 621 OD1 ASP A 41 38.658 -12.888 -8.439 1.00 63.11 O ATOM 622 OD2 ASP A 41 38.004 -13.976 -10.233 1.00 43.14 O ATOM 0 H ASP A 41 36.626 -11.017 -7.253 1.00 64.34 H new ATOM 0 HA ASP A 41 37.317 -10.762 -9.979 1.00 71.32 H new ATOM 0 HB2 ASP A 41 35.991 -12.790 -8.210 1.00 31.13 H new ATOM 0 HB3 ASP A 41 35.766 -12.969 -9.939 1.00 31.13 H new ATOM 627 N THR A 42 35.282 -10.239 -11.308 1.00 24.54 N ATOM 628 CA THR A 42 34.134 -9.758 -12.064 1.00 53.23 C ATOM 629 C THR A 42 33.126 -10.876 -12.306 1.00 64.11 C ATOM 630 O THR A 42 31.925 -10.630 -12.414 1.00 41.35 O ATOM 631 CB THR A 42 34.562 -9.166 -13.420 1.00 63.34 C ATOM 632 OG1 THR A 42 35.291 -10.143 -14.173 1.00 11.14 O ATOM 633 CG2 THR A 42 35.422 -7.927 -13.223 1.00 15.42 C ATOM 0 H THR A 42 36.140 -10.325 -11.853 1.00 24.54 H new ATOM 0 HA THR A 42 33.668 -8.976 -11.465 1.00 53.23 H new ATOM 0 HB THR A 42 33.663 -8.882 -13.967 1.00 63.34 H new ATOM 0 HG1 THR A 42 35.558 -9.760 -15.034 1.00 11.14 H new ATOM 0 HG21 THR A 42 35.712 -7.527 -14.195 1.00 15.42 H new ATOM 0 HG22 THR A 42 34.855 -7.174 -12.675 1.00 15.42 H new ATOM 0 HG23 THR A 42 36.316 -8.191 -12.658 1.00 15.42 H new ATOM 641 N ASP A 43 33.623 -12.105 -12.389 1.00 61.41 N ATOM 642 CA ASP A 43 32.765 -13.263 -12.616 1.00 45.24 C ATOM 643 C ASP A 43 31.829 -13.486 -11.433 1.00 22.11 C ATOM 644 O ASP A 43 30.627 -13.686 -11.608 1.00 22.31 O ATOM 645 CB ASP A 43 33.613 -14.513 -12.855 1.00 61.32 C ATOM 646 CG ASP A 43 32.890 -15.552 -13.689 1.00 72.33 C ATOM 647 OD1 ASP A 43 32.747 -15.337 -14.911 1.00 33.12 O ATOM 648 OD2 ASP A 43 32.466 -16.580 -13.120 1.00 61.43 O ATOM 0 H ASP A 43 34.615 -12.326 -12.303 1.00 61.41 H new ATOM 0 HA ASP A 43 32.161 -13.069 -13.502 1.00 45.24 H new ATOM 0 HB2 ASP A 43 34.539 -14.230 -13.355 1.00 61.32 H new ATOM 0 HB3 ASP A 43 33.890 -14.950 -11.895 1.00 61.32 H new ATOM 653 N VAL A 44 32.389 -13.452 -10.227 1.00 54.55 N ATOM 654 CA VAL A 44 31.604 -13.650 -9.015 1.00 21.13 C ATOM 655 C VAL A 44 30.668 -12.473 -8.767 1.00 14.20 C ATOM 656 O VAL A 44 29.530 -12.652 -8.332 1.00 64.24 O ATOM 657 CB VAL A 44 32.511 -13.838 -7.784 1.00 61.21 C ATOM 658 CG1 VAL A 44 33.430 -12.638 -7.609 1.00 73.52 C ATOM 659 CG2 VAL A 44 31.673 -14.065 -6.535 1.00 21.01 C ATOM 0 H VAL A 44 33.383 -13.289 -10.064 1.00 54.55 H new ATOM 0 HA VAL A 44 31.014 -14.554 -9.165 1.00 21.13 H new ATOM 0 HB VAL A 44 33.131 -14.720 -7.943 1.00 61.21 H new ATOM 0 HG11 VAL A 44 34.063 -12.789 -6.735 1.00 73.52 H new ATOM 0 HG12 VAL A 44 34.055 -12.526 -8.495 1.00 73.52 H new ATOM 0 HG13 VAL A 44 32.831 -11.738 -7.472 1.00 73.52 H new ATOM 0 HG21 VAL A 44 32.330 -14.196 -5.675 1.00 21.01 H new ATOM 0 HG22 VAL A 44 31.026 -13.204 -6.370 1.00 21.01 H new ATOM 0 HG23 VAL A 44 31.062 -14.958 -6.664 1.00 21.01 H new ATOM 669 N MET A 45 31.154 -11.268 -9.047 1.00 32.00 N ATOM 670 CA MET A 45 30.359 -10.060 -8.856 1.00 70.41 C ATOM 671 C MET A 45 29.237 -9.980 -9.886 1.00 14.21 C ATOM 672 O MET A 45 28.094 -9.669 -9.549 1.00 64.14 O ATOM 673 CB MET A 45 31.247 -8.819 -8.954 1.00 42.44 C ATOM 674 CG MET A 45 31.373 -8.056 -7.645 1.00 62.43 C ATOM 675 SD MET A 45 31.709 -6.302 -7.893 1.00 31.25 S ATOM 676 CE MET A 45 30.062 -5.617 -7.736 1.00 54.21 C ATOM 0 H MET A 45 32.094 -11.102 -9.407 1.00 32.00 H new ATOM 0 HA MET A 45 29.914 -10.101 -7.862 1.00 70.41 H new ATOM 0 HB2 MET A 45 32.241 -9.119 -9.287 1.00 42.44 H new ATOM 0 HB3 MET A 45 30.843 -8.153 -9.716 1.00 42.44 H new ATOM 0 HG2 MET A 45 30.452 -8.168 -7.073 1.00 62.43 H new ATOM 0 HG3 MET A 45 32.173 -8.495 -7.049 1.00 62.43 H new ATOM 0 HE1 MET A 45 30.115 -4.656 -7.225 1.00 54.21 H new ATOM 0 HE2 MET A 45 29.630 -5.477 -8.727 1.00 54.21 H new ATOM 0 HE3 MET A 45 29.437 -6.300 -7.161 1.00 54.21 H new ATOM 686 N MET A 46 29.570 -10.261 -11.141 1.00 60.22 N ATOM 687 CA MET A 46 28.589 -10.221 -12.219 1.00 71.05 C ATOM 688 C MET A 46 27.550 -11.325 -12.051 1.00 23.42 C ATOM 689 O MET A 46 26.367 -11.125 -12.326 1.00 1.25 O ATOM 690 CB MET A 46 29.284 -10.361 -13.575 1.00 54.04 C ATOM 691 CG MET A 46 29.695 -11.787 -13.903 1.00 72.22 C ATOM 692 SD MET A 46 30.458 -11.933 -15.530 1.00 73.54 S ATOM 693 CE MET A 46 31.954 -10.979 -15.290 1.00 1.02 C ATOM 0 H MET A 46 30.512 -10.519 -11.437 1.00 60.22 H new ATOM 0 HA MET A 46 28.080 -9.258 -12.177 1.00 71.05 H new ATOM 0 HB2 MET A 46 28.617 -9.995 -14.355 1.00 54.04 H new ATOM 0 HB3 MET A 46 30.169 -9.724 -13.588 1.00 54.04 H new ATOM 0 HG2 MET A 46 30.393 -12.143 -13.145 1.00 72.22 H new ATOM 0 HG3 MET A 46 28.818 -12.433 -13.858 1.00 72.22 H new ATOM 0 HE1 MET A 46 32.252 -10.526 -16.235 1.00 1.02 H new ATOM 0 HE2 MET A 46 31.772 -10.196 -14.554 1.00 1.02 H new ATOM 0 HE3 MET A 46 32.750 -11.634 -14.935 1.00 1.02 H new ATOM 703 N ASP A 47 28.000 -12.490 -11.598 1.00 63.41 N ATOM 704 CA ASP A 47 27.109 -13.626 -11.392 1.00 64.42 C ATOM 705 C ASP A 47 26.165 -13.371 -10.222 1.00 22.35 C ATOM 706 O ASP A 47 24.975 -13.677 -10.293 1.00 33.25 O ATOM 707 CB ASP A 47 27.920 -14.899 -11.142 1.00 2.13 C ATOM 708 CG ASP A 47 27.040 -16.099 -10.856 1.00 33.43 C ATOM 709 OD1 ASP A 47 26.035 -16.283 -11.574 1.00 75.10 O ATOM 710 OD2 ASP A 47 27.356 -16.856 -9.914 1.00 43.11 O ATOM 0 H ASP A 47 28.976 -12.673 -11.366 1.00 63.41 H new ATOM 0 HA ASP A 47 26.512 -13.757 -12.295 1.00 64.42 H new ATOM 0 HB2 ASP A 47 28.542 -15.107 -12.013 1.00 2.13 H new ATOM 0 HB3 ASP A 47 28.594 -14.738 -10.301 1.00 2.13 H new ATOM 715 N PHE A 48 26.705 -12.810 -9.144 1.00 75.14 N ATOM 716 CA PHE A 48 25.911 -12.516 -7.957 1.00 52.31 C ATOM 717 C PHE A 48 24.978 -11.334 -8.206 1.00 33.22 C ATOM 718 O PHE A 48 23.804 -11.368 -7.834 1.00 42.40 O ATOM 719 CB PHE A 48 26.825 -12.216 -6.768 1.00 24.14 C ATOM 720 CG PHE A 48 26.095 -11.675 -5.571 1.00 64.54 C ATOM 721 CD1 PHE A 48 25.830 -10.320 -5.460 1.00 34.33 C ATOM 722 CD2 PHE A 48 25.676 -12.523 -4.558 1.00 54.54 C ATOM 723 CE1 PHE A 48 25.158 -9.819 -4.360 1.00 73.54 C ATOM 724 CE2 PHE A 48 25.003 -12.028 -3.457 1.00 41.41 C ATOM 725 CZ PHE A 48 24.745 -10.674 -3.357 1.00 71.33 C ATOM 0 H PHE A 48 27.689 -12.550 -9.069 1.00 75.14 H new ATOM 0 HA PHE A 48 25.305 -13.393 -7.729 1.00 52.31 H new ATOM 0 HB2 PHE A 48 27.348 -13.129 -6.483 1.00 24.14 H new ATOM 0 HB3 PHE A 48 27.584 -11.497 -7.076 1.00 24.14 H new ATOM 0 HD1 PHE A 48 26.152 -9.647 -6.241 1.00 34.33 H new ATOM 0 HD2 PHE A 48 25.877 -13.582 -4.630 1.00 54.54 H new ATOM 0 HE1 PHE A 48 24.956 -8.761 -4.285 1.00 73.54 H new ATOM 0 HE2 PHE A 48 24.679 -12.699 -2.675 1.00 41.41 H new ATOM 0 HZ PHE A 48 24.221 -10.285 -2.496 1.00 71.33 H new ATOM 735 N ILE A 49 25.508 -10.292 -8.836 1.00 41.22 N ATOM 736 CA ILE A 49 24.723 -9.100 -9.135 1.00 64.31 C ATOM 737 C ILE A 49 23.554 -9.429 -10.057 1.00 44.04 C ATOM 738 O ILE A 49 22.417 -9.037 -9.798 1.00 52.45 O ATOM 739 CB ILE A 49 25.588 -8.007 -9.790 1.00 53.31 C ATOM 740 CG1 ILE A 49 26.097 -7.026 -8.732 1.00 33.14 C ATOM 741 CG2 ILE A 49 24.793 -7.274 -10.860 1.00 51.34 C ATOM 742 CD1 ILE A 49 27.104 -7.633 -7.780 1.00 72.21 C ATOM 0 H ILE A 49 26.478 -10.248 -9.150 1.00 41.22 H new ATOM 0 HA ILE A 49 24.339 -8.728 -8.185 1.00 64.31 H new ATOM 0 HB ILE A 49 26.448 -8.480 -10.263 1.00 53.31 H new ATOM 0 HG12 ILE A 49 26.551 -6.170 -9.231 1.00 33.14 H new ATOM 0 HG13 ILE A 49 25.249 -6.649 -8.160 1.00 33.14 H new ATOM 0 HG21 ILE A 49 25.417 -6.505 -11.314 1.00 51.34 H new ATOM 0 HG22 ILE A 49 24.475 -7.982 -11.626 1.00 51.34 H new ATOM 0 HG23 ILE A 49 23.916 -6.810 -10.408 1.00 51.34 H new ATOM 0 HD11 ILE A 49 27.421 -6.881 -7.058 1.00 72.21 H new ATOM 0 HD12 ILE A 49 26.648 -8.472 -7.254 1.00 72.21 H new ATOM 0 HD13 ILE A 49 27.970 -7.984 -8.342 1.00 72.21 H new ATOM 754 N SER A 50 23.843 -10.153 -11.134 1.00 34.30 N ATOM 755 CA SER A 50 22.816 -10.534 -12.097 1.00 15.24 C ATOM 756 C SER A 50 21.780 -11.451 -11.453 1.00 24.15 C ATOM 757 O SER A 50 20.587 -11.358 -11.741 1.00 43.22 O ATOM 758 CB SER A 50 23.450 -11.229 -13.303 1.00 33.43 C ATOM 759 OG SER A 50 22.617 -11.129 -14.445 1.00 45.22 O ATOM 0 H SER A 50 24.779 -10.487 -11.362 1.00 34.30 H new ATOM 0 HA SER A 50 22.314 -9.627 -12.433 1.00 15.24 H new ATOM 0 HB2 SER A 50 24.420 -10.781 -13.516 1.00 33.43 H new ATOM 0 HB3 SER A 50 23.628 -12.279 -13.070 1.00 33.43 H new ATOM 0 HG SER A 50 23.045 -11.580 -15.203 1.00 45.22 H new ATOM 765 N ARG A 51 22.247 -12.337 -10.578 1.00 75.05 N ATOM 766 CA ARG A 51 21.363 -13.273 -9.894 1.00 14.43 C ATOM 767 C ARG A 51 20.546 -12.561 -8.819 1.00 22.45 C ATOM 768 O ARG A 51 19.428 -12.969 -8.502 1.00 40.54 O ATOM 769 CB ARG A 51 22.174 -14.407 -9.266 1.00 31.51 C ATOM 770 CG ARG A 51 21.326 -15.588 -8.820 1.00 44.14 C ATOM 771 CD ARG A 51 22.077 -16.902 -8.972 1.00 42.51 C ATOM 772 NE ARG A 51 21.223 -18.055 -8.700 1.00 4.44 N ATOM 773 CZ ARG A 51 20.280 -18.484 -9.531 1.00 4.31 C ATOM 774 NH1 ARG A 51 20.072 -17.859 -10.681 1.00 53.54 N ATOM 775 NH2 ARG A 51 19.544 -19.541 -9.212 1.00 40.53 N ATOM 0 H ARG A 51 23.232 -12.426 -10.327 1.00 75.05 H new ATOM 0 HA ARG A 51 20.677 -13.691 -10.630 1.00 14.43 H new ATOM 0 HB2 ARG A 51 22.915 -14.754 -9.986 1.00 31.51 H new ATOM 0 HB3 ARG A 51 22.721 -14.019 -8.407 1.00 31.51 H new ATOM 0 HG2 ARG A 51 21.032 -15.454 -7.779 1.00 44.14 H new ATOM 0 HG3 ARG A 51 20.409 -15.622 -9.408 1.00 44.14 H new ATOM 0 HD2 ARG A 51 22.476 -16.977 -9.984 1.00 42.51 H new ATOM 0 HD3 ARG A 51 22.929 -16.913 -8.292 1.00 42.51 H new ATOM 0 HE ARG A 51 21.358 -18.559 -7.823 1.00 4.44 H new ATOM 0 HH11 ARG A 51 20.637 -17.047 -10.929 1.00 53.54 H new ATOM 0 HH12 ARG A 51 19.347 -18.190 -11.318 1.00 53.54 H new ATOM 0 HH21 ARG A 51 19.702 -20.025 -8.328 1.00 40.53 H new ATOM 0 HH22 ARG A 51 18.820 -19.870 -9.851 1.00 40.53 H new ATOM 789 N PHE A 52 21.113 -11.497 -8.260 1.00 31.34 N ATOM 790 CA PHE A 52 20.439 -10.730 -7.219 1.00 33.23 C ATOM 791 C PHE A 52 19.711 -9.528 -7.814 1.00 4.01 C ATOM 792 O PHE A 52 18.979 -8.825 -7.118 1.00 71.41 O ATOM 793 CB PHE A 52 21.446 -10.262 -6.167 1.00 45.52 C ATOM 794 CG PHE A 52 21.648 -11.245 -5.050 1.00 65.11 C ATOM 795 CD1 PHE A 52 21.939 -12.572 -5.322 1.00 73.42 C ATOM 796 CD2 PHE A 52 21.549 -10.842 -3.728 1.00 74.42 C ATOM 797 CE1 PHE A 52 22.124 -13.480 -4.296 1.00 42.51 C ATOM 798 CE2 PHE A 52 21.734 -11.745 -2.698 1.00 35.02 C ATOM 799 CZ PHE A 52 22.023 -13.065 -2.982 1.00 72.24 C ATOM 0 H PHE A 52 22.038 -11.146 -8.510 1.00 31.34 H new ATOM 0 HA PHE A 52 19.703 -11.379 -6.743 1.00 33.23 H new ATOM 0 HB2 PHE A 52 22.404 -10.073 -6.652 1.00 45.52 H new ATOM 0 HB3 PHE A 52 21.108 -9.314 -5.749 1.00 45.52 H new ATOM 0 HD1 PHE A 52 22.022 -12.901 -6.347 1.00 73.42 H new ATOM 0 HD2 PHE A 52 21.325 -9.810 -3.500 1.00 74.42 H new ATOM 0 HE1 PHE A 52 22.347 -14.512 -4.521 1.00 42.51 H new ATOM 0 HE2 PHE A 52 21.653 -11.418 -1.672 1.00 35.02 H new ATOM 0 HZ PHE A 52 22.170 -13.772 -2.179 1.00 72.24 H new ATOM 809 N ALA A 53 19.920 -9.298 -9.106 1.00 42.00 N ATOM 810 CA ALA A 53 19.284 -8.183 -9.796 1.00 2.51 C ATOM 811 C ALA A 53 17.942 -8.597 -10.389 1.00 62.44 C ATOM 812 O ALA A 53 17.684 -9.783 -10.594 1.00 75.44 O ATOM 813 CB ALA A 53 20.201 -7.643 -10.884 1.00 73.42 C ATOM 0 H ALA A 53 20.525 -9.869 -9.696 1.00 42.00 H new ATOM 0 HA ALA A 53 19.100 -7.394 -9.067 1.00 2.51 H new ATOM 0 HB1 ALA A 53 19.713 -6.811 -11.391 1.00 73.42 H new ATOM 0 HB2 ALA A 53 21.133 -7.299 -10.436 1.00 73.42 H new ATOM 0 HB3 ALA A 53 20.414 -8.432 -11.605 1.00 73.42 H new ATOM 884 N ILE A 58 8.810 0.399 -10.908 1.00 43.33 N ATOM 885 CA ILE A 58 7.800 0.701 -9.902 1.00 0.30 C ATOM 886 C ILE A 58 6.471 1.071 -10.551 1.00 52.32 C ATOM 887 O ILE A 58 6.420 1.908 -11.452 1.00 64.03 O ATOM 888 CB ILE A 58 8.248 1.853 -8.983 1.00 33.03 C ATOM 889 CG1 ILE A 58 9.199 2.790 -9.729 1.00 40.34 C ATOM 890 CG2 ILE A 58 8.913 1.303 -7.730 1.00 34.22 C ATOM 891 CD1 ILE A 58 8.547 3.520 -10.883 1.00 33.31 C ATOM 0 HA ILE A 58 7.671 -0.201 -9.304 1.00 0.30 H new ATOM 0 HB ILE A 58 7.368 2.422 -8.684 1.00 33.03 H new ATOM 0 HG12 ILE A 58 9.600 3.521 -9.027 1.00 40.34 H new ATOM 0 HG13 ILE A 58 10.044 2.213 -10.105 1.00 40.34 H new ATOM 0 HG21 ILE A 58 9.224 2.129 -7.091 1.00 34.22 H new ATOM 0 HG22 ILE A 58 8.207 0.672 -7.190 1.00 34.22 H new ATOM 0 HG23 ILE A 58 9.785 0.713 -8.010 1.00 34.22 H new ATOM 0 HD11 ILE A 58 9.280 4.166 -11.366 1.00 33.31 H new ATOM 0 HD12 ILE A 58 8.170 2.796 -11.605 1.00 33.31 H new ATOM 0 HD13 ILE A 58 7.720 4.125 -10.510 1.00 33.31 H new ATOM 903 N MET A 59 5.396 0.443 -10.086 1.00 0.33 N ATOM 904 CA MET A 59 4.065 0.709 -10.619 1.00 41.13 C ATOM 905 C MET A 59 3.521 2.031 -10.088 1.00 55.31 C ATOM 906 O MET A 59 4.040 2.604 -9.130 1.00 32.22 O ATOM 907 CB MET A 59 3.111 -0.431 -10.258 1.00 54.25 C ATOM 908 CG MET A 59 2.816 -1.367 -11.419 1.00 65.40 C ATOM 909 SD MET A 59 1.357 -2.388 -11.135 1.00 41.34 S ATOM 910 CE MET A 59 2.039 -4.027 -11.372 1.00 71.02 C ATOM 0 H MET A 59 5.421 -0.254 -9.341 1.00 0.33 H new ATOM 0 HA MET A 59 4.142 0.778 -11.704 1.00 41.13 H new ATOM 0 HB2 MET A 59 3.540 -1.007 -9.438 1.00 54.25 H new ATOM 0 HB3 MET A 59 2.174 -0.009 -9.895 1.00 54.25 H new ATOM 0 HG2 MET A 59 2.673 -0.780 -12.326 1.00 65.40 H new ATOM 0 HG3 MET A 59 3.678 -2.012 -11.589 1.00 65.40 H new ATOM 0 HE1 MET A 59 1.256 -4.771 -11.229 1.00 71.02 H new ATOM 0 HE2 MET A 59 2.440 -4.112 -12.382 1.00 71.02 H new ATOM 0 HE3 MET A 59 2.837 -4.197 -10.649 1.00 71.02 H new ATOM 920 N PRO A 60 2.449 2.529 -10.724 1.00 5.34 N ATOM 921 CA PRO A 60 1.812 3.790 -10.332 1.00 35.54 C ATOM 922 C PRO A 60 1.089 3.682 -8.993 1.00 24.11 C ATOM 923 O PRO A 60 0.826 4.689 -8.337 1.00 50.33 O ATOM 924 CB PRO A 60 0.810 4.046 -11.460 1.00 50.33 C ATOM 925 CG PRO A 60 0.511 2.697 -12.016 1.00 32.45 C ATOM 926 CD PRO A 60 1.778 1.900 -11.873 1.00 43.15 C ATOM 0 HA PRO A 60 2.540 4.591 -10.199 1.00 35.54 H new ATOM 0 HB2 PRO A 60 -0.093 4.529 -11.085 1.00 50.33 H new ATOM 0 HB3 PRO A 60 1.230 4.703 -12.221 1.00 50.33 H new ATOM 0 HG2 PRO A 60 -0.310 2.225 -11.476 1.00 32.45 H new ATOM 0 HG3 PRO A 60 0.208 2.764 -13.061 1.00 32.45 H new ATOM 0 HD2 PRO A 60 1.571 0.846 -11.690 1.00 43.15 H new ATOM 0 HD3 PRO A 60 2.390 1.953 -12.774 1.00 43.15 H new ATOM 934 N GLU A 61 0.773 2.454 -8.593 1.00 53.14 N ATOM 935 CA GLU A 61 0.080 2.217 -7.332 1.00 65.42 C ATOM 936 C GLU A 61 1.074 2.096 -6.180 1.00 62.15 C ATOM 937 O GLU A 61 0.705 2.218 -5.012 1.00 51.34 O ATOM 938 CB GLU A 61 -0.769 0.947 -7.422 1.00 51.24 C ATOM 939 CG GLU A 61 0.031 -0.334 -7.256 1.00 51.21 C ATOM 940 CD GLU A 61 -0.564 -1.497 -8.025 1.00 60.25 C ATOM 941 OE1 GLU A 61 -0.977 -1.291 -9.186 1.00 15.22 O ATOM 942 OE2 GLU A 61 -0.616 -2.613 -7.468 1.00 34.21 O ATOM 0 H GLU A 61 0.986 1.609 -9.123 1.00 53.14 H new ATOM 0 HA GLU A 61 -0.572 3.069 -7.139 1.00 65.42 H new ATOM 0 HB2 GLU A 61 -1.544 0.983 -6.656 1.00 51.24 H new ATOM 0 HB3 GLU A 61 -1.275 0.926 -8.387 1.00 51.24 H new ATOM 0 HG2 GLU A 61 1.054 -0.166 -7.593 1.00 51.21 H new ATOM 0 HG3 GLU A 61 0.083 -0.591 -6.198 1.00 51.21 H new ATOM 949 N ASP A 62 2.336 1.855 -6.519 1.00 20.44 N ATOM 950 CA ASP A 62 3.384 1.718 -5.514 1.00 20.51 C ATOM 951 C ASP A 62 4.380 2.869 -5.607 1.00 0.30 C ATOM 952 O ASP A 62 4.090 3.909 -6.200 1.00 24.32 O ATOM 953 CB ASP A 62 4.111 0.383 -5.684 1.00 25.24 C ATOM 954 CG ASP A 62 3.188 -0.724 -6.153 1.00 61.11 C ATOM 955 OD1 ASP A 62 2.189 -0.998 -5.456 1.00 52.04 O ATOM 956 OD2 ASP A 62 3.465 -1.317 -7.217 1.00 23.32 O ATOM 0 H ASP A 62 2.658 1.751 -7.481 1.00 20.44 H new ATOM 0 HA ASP A 62 2.916 1.745 -4.530 1.00 20.51 H new ATOM 0 HB2 ASP A 62 4.923 0.504 -6.402 1.00 25.24 H new ATOM 0 HB3 ASP A 62 4.564 0.096 -4.735 1.00 25.24 H new ATOM 961 N LYS A 63 5.555 2.678 -5.016 1.00 72.14 N ATOM 962 CA LYS A 63 6.595 3.700 -5.032 1.00 31.40 C ATOM 963 C LYS A 63 7.980 3.067 -4.946 1.00 43.01 C ATOM 964 O LYS A 63 8.115 1.843 -4.918 1.00 43.24 O ATOM 965 CB LYS A 63 6.396 4.677 -3.871 1.00 61.12 C ATOM 966 CG LYS A 63 5.293 4.265 -2.911 1.00 62.05 C ATOM 967 CD LYS A 63 5.189 5.224 -1.738 1.00 14.05 C ATOM 968 CE LYS A 63 3.752 5.361 -1.256 1.00 25.55 C ATOM 969 NZ LYS A 63 3.360 6.786 -1.080 1.00 14.14 N ATOM 0 H LYS A 63 5.811 1.824 -4.520 1.00 72.14 H new ATOM 0 HA LYS A 63 6.521 4.244 -5.974 1.00 31.40 H new ATOM 0 HB2 LYS A 63 7.332 4.767 -3.319 1.00 61.12 H new ATOM 0 HB3 LYS A 63 6.166 5.664 -4.273 1.00 61.12 H new ATOM 0 HG2 LYS A 63 4.341 4.232 -3.441 1.00 62.05 H new ATOM 0 HG3 LYS A 63 5.487 3.258 -2.543 1.00 62.05 H new ATOM 0 HD2 LYS A 63 5.816 4.869 -0.920 1.00 14.05 H new ATOM 0 HD3 LYS A 63 5.570 6.202 -2.031 1.00 14.05 H new ATOM 0 HE2 LYS A 63 3.082 4.886 -1.972 1.00 25.55 H new ATOM 0 HE3 LYS A 63 3.634 4.832 -0.310 1.00 25.55 H new ATOM 0 HZ1 LYS A 63 2.375 6.837 -0.751 1.00 14.14 H new ATOM 0 HZ2 LYS A 63 3.983 7.233 -0.378 1.00 14.14 H new ATOM 0 HZ3 LYS A 63 3.448 7.285 -1.988 1.00 14.14 H new ATOM 983 N THR A 64 9.009 3.909 -4.903 1.00 34.41 N ATOM 984 CA THR A 64 10.383 3.432 -4.820 1.00 23.22 C ATOM 985 C THR A 64 11.068 3.945 -3.558 1.00 40.43 C ATOM 986 O THR A 64 11.110 5.150 -3.309 1.00 44.35 O ATOM 987 CB THR A 64 11.204 3.866 -6.049 1.00 10.32 C ATOM 988 OG1 THR A 64 11.295 2.786 -6.984 1.00 55.02 O ATOM 989 CG2 THR A 64 12.601 4.307 -5.638 1.00 51.04 C ATOM 0 H THR A 64 8.916 4.924 -4.924 1.00 34.41 H new ATOM 0 HA THR A 64 10.338 2.343 -4.789 1.00 23.22 H new ATOM 0 HB THR A 64 10.697 4.709 -6.518 1.00 10.32 H new ATOM 0 HG1 THR A 64 11.693 2.006 -6.545 1.00 55.02 H new ATOM 0 HG21 THR A 64 13.162 4.609 -6.522 1.00 51.04 H new ATOM 0 HG22 THR A 64 12.529 5.149 -4.949 1.00 51.04 H new ATOM 0 HG23 THR A 64 13.114 3.480 -5.148 1.00 51.04 H new ATOM 997 N VAL A 65 11.604 3.024 -2.765 1.00 23.25 N ATOM 998 CA VAL A 65 12.289 3.384 -1.529 1.00 23.11 C ATOM 999 C VAL A 65 13.334 4.466 -1.775 1.00 44.12 C ATOM 1000 O VAL A 65 13.411 5.449 -1.040 1.00 15.33 O ATOM 1001 CB VAL A 65 12.973 2.161 -0.889 1.00 43.04 C ATOM 1002 CG1 VAL A 65 13.243 2.411 0.586 1.00 5.15 C ATOM 1003 CG2 VAL A 65 12.122 0.915 -1.080 1.00 64.44 C ATOM 0 H VAL A 65 11.577 2.022 -2.956 1.00 23.25 H new ATOM 0 HA VAL A 65 11.530 3.765 -0.846 1.00 23.11 H new ATOM 0 HB VAL A 65 13.930 2.000 -1.386 1.00 43.04 H new ATOM 0 HG11 VAL A 65 13.726 1.536 1.021 1.00 5.15 H new ATOM 0 HG12 VAL A 65 13.895 3.278 0.695 1.00 5.15 H new ATOM 0 HG13 VAL A 65 12.301 2.599 1.102 1.00 5.15 H new ATOM 0 HG21 VAL A 65 12.620 0.060 -0.622 1.00 64.44 H new ATOM 0 HG22 VAL A 65 11.150 1.063 -0.610 1.00 64.44 H new ATOM 0 HG23 VAL A 65 11.986 0.727 -2.145 1.00 64.44 H new ATOM 1013 N GLY A 66 14.139 4.278 -2.817 1.00 23.12 N ATOM 1014 CA GLY A 66 15.170 5.246 -3.143 1.00 13.55 C ATOM 1015 C GLY A 66 16.355 4.617 -3.847 1.00 40.13 C ATOM 1016 O GLY A 66 16.279 3.478 -4.309 1.00 2.23 O ATOM 0 H GLY A 66 14.095 3.472 -3.441 1.00 23.12 H new ATOM 0 HA2 GLY A 66 14.746 6.024 -3.778 1.00 13.55 H new ATOM 0 HA3 GLY A 66 15.511 5.731 -2.228 1.00 13.55 H new ATOM 1020 N PHE A 67 17.454 5.360 -3.933 1.00 15.14 N ATOM 1021 CA PHE A 67 18.660 4.869 -4.589 1.00 14.01 C ATOM 1022 C PHE A 67 19.874 5.018 -3.677 1.00 40.11 C ATOM 1023 O PHE A 67 20.035 6.033 -2.999 1.00 54.01 O ATOM 1024 CB PHE A 67 18.896 5.623 -5.899 1.00 52.01 C ATOM 1025 CG PHE A 67 18.892 7.117 -5.740 1.00 64.43 C ATOM 1026 CD1 PHE A 67 20.055 7.794 -5.410 1.00 30.05 C ATOM 1027 CD2 PHE A 67 17.727 7.843 -5.922 1.00 52.22 C ATOM 1028 CE1 PHE A 67 20.054 9.168 -5.262 1.00 3.10 C ATOM 1029 CE2 PHE A 67 17.720 9.218 -5.776 1.00 61.24 C ATOM 1030 CZ PHE A 67 18.886 9.881 -5.447 1.00 13.01 C ATOM 0 H PHE A 67 17.534 6.305 -3.556 1.00 15.14 H new ATOM 0 HA PHE A 67 18.520 3.810 -4.807 1.00 14.01 H new ATOM 0 HB2 PHE A 67 19.852 5.313 -6.320 1.00 52.01 H new ATOM 0 HB3 PHE A 67 18.125 5.340 -6.616 1.00 52.01 H new ATOM 0 HD1 PHE A 67 20.972 7.242 -5.267 1.00 30.05 H new ATOM 0 HD2 PHE A 67 16.813 7.329 -6.181 1.00 52.22 H new ATOM 0 HE1 PHE A 67 20.966 9.684 -5.002 1.00 3.10 H new ATOM 0 HE2 PHE A 67 16.804 9.773 -5.919 1.00 61.24 H new ATOM 0 HZ PHE A 67 18.884 10.955 -5.335 1.00 13.01 H new ATOM 1040 N VAL A 68 20.727 3.998 -3.666 1.00 12.51 N ATOM 1041 CA VAL A 68 21.927 4.015 -2.839 1.00 23.15 C ATOM 1042 C VAL A 68 23.186 3.935 -3.695 1.00 20.41 C ATOM 1043 O VAL A 68 23.301 3.076 -4.569 1.00 65.51 O ATOM 1044 CB VAL A 68 21.930 2.850 -1.830 1.00 42.45 C ATOM 1045 CG1 VAL A 68 23.150 2.931 -0.925 1.00 70.43 C ATOM 1046 CG2 VAL A 68 20.648 2.851 -1.012 1.00 52.32 C ATOM 0 H VAL A 68 20.609 3.150 -4.220 1.00 12.51 H new ATOM 0 HA VAL A 68 21.922 4.959 -2.293 1.00 23.15 H new ATOM 0 HB VAL A 68 21.980 1.912 -2.384 1.00 42.45 H new ATOM 0 HG11 VAL A 68 23.135 2.101 -0.219 1.00 70.43 H new ATOM 0 HG12 VAL A 68 24.056 2.878 -1.529 1.00 70.43 H new ATOM 0 HG13 VAL A 68 23.135 3.873 -0.377 1.00 70.43 H new ATOM 0 HG21 VAL A 68 20.667 2.022 -0.305 1.00 52.32 H new ATOM 0 HG22 VAL A 68 20.565 3.791 -0.467 1.00 52.32 H new ATOM 0 HG23 VAL A 68 19.792 2.741 -1.677 1.00 52.32 H new ATOM 1056 N VAL A 69 24.129 4.836 -3.438 1.00 32.35 N ATOM 1057 CA VAL A 69 25.381 4.866 -4.184 1.00 1.44 C ATOM 1058 C VAL A 69 26.543 4.378 -3.326 1.00 45.24 C ATOM 1059 O VAL A 69 26.837 4.949 -2.276 1.00 34.34 O ATOM 1060 CB VAL A 69 25.695 6.285 -4.695 1.00 60.11 C ATOM 1061 CG1 VAL A 69 26.915 6.267 -5.603 1.00 3.30 C ATOM 1062 CG2 VAL A 69 24.491 6.869 -5.418 1.00 73.32 C ATOM 0 H VAL A 69 24.049 5.555 -2.719 1.00 32.35 H new ATOM 0 HA VAL A 69 25.258 4.199 -5.037 1.00 1.44 H new ATOM 0 HB VAL A 69 25.919 6.920 -3.838 1.00 60.11 H new ATOM 0 HG11 VAL A 69 27.122 7.278 -5.955 1.00 3.30 H new ATOM 0 HG12 VAL A 69 27.776 5.892 -5.049 1.00 3.30 H new ATOM 0 HG13 VAL A 69 26.723 5.618 -6.457 1.00 3.30 H new ATOM 0 HG21 VAL A 69 24.730 7.872 -5.772 1.00 73.32 H new ATOM 0 HG22 VAL A 69 24.234 6.236 -6.267 1.00 73.32 H new ATOM 0 HG23 VAL A 69 23.644 6.919 -4.733 1.00 73.32 H new ATOM 1072 N VAL A 70 27.204 3.318 -3.782 1.00 53.44 N ATOM 1073 CA VAL A 70 28.336 2.753 -3.058 1.00 42.54 C ATOM 1074 C VAL A 70 29.573 2.676 -3.947 1.00 32.04 C ATOM 1075 O VAL A 70 29.591 1.951 -4.941 1.00 1.45 O ATOM 1076 CB VAL A 70 28.014 1.346 -2.522 1.00 52.11 C ATOM 1077 CG1 VAL A 70 29.073 0.898 -1.527 1.00 10.35 C ATOM 1078 CG2 VAL A 70 26.631 1.322 -1.889 1.00 32.42 C ATOM 0 H VAL A 70 26.974 2.834 -4.650 1.00 53.44 H new ATOM 0 HA VAL A 70 28.537 3.416 -2.217 1.00 42.54 H new ATOM 0 HB VAL A 70 28.018 0.647 -3.359 1.00 52.11 H new ATOM 0 HG11 VAL A 70 28.828 -0.098 -1.159 1.00 10.35 H new ATOM 0 HG12 VAL A 70 30.046 0.875 -2.017 1.00 10.35 H new ATOM 0 HG13 VAL A 70 29.105 1.596 -0.690 1.00 10.35 H new ATOM 0 HG21 VAL A 70 26.419 0.320 -1.515 1.00 32.42 H new ATOM 0 HG22 VAL A 70 26.597 2.032 -1.063 1.00 32.42 H new ATOM 0 HG23 VAL A 70 25.885 1.596 -2.635 1.00 32.42 H new ATOM 1088 N ASN A 71 30.606 3.428 -3.580 1.00 72.13 N ATOM 1089 CA ASN A 71 31.848 3.445 -4.344 1.00 70.42 C ATOM 1090 C ASN A 71 33.020 2.975 -3.487 1.00 72.15 C ATOM 1091 O ASN A 71 33.457 3.678 -2.577 1.00 63.12 O ATOM 1092 CB ASN A 71 32.124 4.852 -4.878 1.00 72.42 C ATOM 1093 CG ASN A 71 30.864 5.544 -5.360 1.00 51.34 C ATOM 1094 OD1 ASN A 71 30.127 6.144 -4.433 1.00 14.42 O flip ATOM 1095 ND2 ASN A 71 30.558 5.540 -6.553 1.00 34.22 N flip ATOM 0 H ASN A 71 30.607 4.033 -2.759 1.00 72.13 H new ATOM 0 HA ASN A 71 31.738 2.760 -5.185 1.00 70.42 H new ATOM 0 HB2 ASN A 71 32.587 5.451 -4.094 1.00 72.42 H new ATOM 0 HB3 ASN A 71 32.839 4.793 -5.698 1.00 72.42 H new ATOM 0 HD21 ASN A 71 31.155 5.066 -7.231 1.00 34.22 H new ATOM 0 HD22 ASN A 71 29.708 6.011 -6.863 1.00 34.22 H new ATOM 1102 N ALA A 72 33.523 1.782 -3.786 1.00 65.14 N ATOM 1103 CA ALA A 72 34.646 1.219 -3.046 1.00 11.30 C ATOM 1104 C ALA A 72 35.936 1.976 -3.346 1.00 34.34 C ATOM 1105 O ALA A 72 36.771 2.171 -2.463 1.00 2.21 O ATOM 1106 CB ALA A 72 34.809 -0.257 -3.376 1.00 32.12 C ATOM 0 H ALA A 72 33.171 1.187 -4.535 1.00 65.14 H new ATOM 0 HA ALA A 72 34.435 1.321 -1.981 1.00 11.30 H new ATOM 0 HB1 ALA A 72 35.651 -0.664 -2.816 1.00 32.12 H new ATOM 0 HB2 ALA A 72 33.900 -0.793 -3.104 1.00 32.12 H new ATOM 0 HB3 ALA A 72 34.993 -0.373 -4.444 1.00 32.12 H new ATOM 1112 N ASP A 73 36.091 2.398 -4.595 1.00 44.14 N ATOM 1113 CA ASP A 73 37.280 3.134 -5.011 1.00 71.44 C ATOM 1114 C ASP A 73 37.414 4.436 -4.229 1.00 4.21 C ATOM 1115 O ASP A 73 38.520 4.859 -3.890 1.00 63.44 O ATOM 1116 CB ASP A 73 37.224 3.429 -6.511 1.00 62.32 C ATOM 1117 CG ASP A 73 38.573 3.267 -7.184 1.00 23.45 C ATOM 1118 OD1 ASP A 73 39.286 2.295 -6.857 1.00 25.40 O ATOM 1119 OD2 ASP A 73 38.916 4.111 -8.037 1.00 14.31 O ATOM 0 H ASP A 73 35.409 2.244 -5.338 1.00 44.14 H new ATOM 0 HA ASP A 73 38.152 2.515 -4.803 1.00 71.44 H new ATOM 0 HB2 ASP A 73 36.503 2.761 -6.983 1.00 62.32 H new ATOM 0 HB3 ASP A 73 36.864 4.446 -6.665 1.00 62.32 H new ATOM 1124 N LYS A 74 36.281 5.070 -3.945 1.00 64.41 N ATOM 1125 CA LYS A 74 36.271 6.324 -3.202 1.00 41.33 C ATOM 1126 C LYS A 74 36.090 6.071 -1.709 1.00 52.11 C ATOM 1127 O LYS A 74 36.245 6.979 -0.892 1.00 31.55 O ATOM 1128 CB LYS A 74 35.154 7.235 -3.715 1.00 55.33 C ATOM 1129 CG LYS A 74 35.410 7.789 -5.106 1.00 62.43 C ATOM 1130 CD LYS A 74 34.700 9.115 -5.318 1.00 45.34 C ATOM 1131 CE LYS A 74 35.395 10.244 -4.572 1.00 52.42 C ATOM 1132 NZ LYS A 74 36.459 10.882 -5.396 1.00 73.03 N ATOM 0 H LYS A 74 35.357 4.735 -4.219 1.00 64.41 H new ATOM 0 HA LYS A 74 37.232 6.816 -3.355 1.00 41.33 H new ATOM 0 HB2 LYS A 74 34.217 6.678 -3.722 1.00 55.33 H new ATOM 0 HB3 LYS A 74 35.026 8.065 -3.020 1.00 55.33 H new ATOM 0 HG2 LYS A 74 36.482 7.921 -5.254 1.00 62.43 H new ATOM 0 HG3 LYS A 74 35.071 7.071 -5.853 1.00 62.43 H new ATOM 0 HD2 LYS A 74 34.668 9.346 -6.383 1.00 45.34 H new ATOM 0 HD3 LYS A 74 33.667 9.035 -4.979 1.00 45.34 H new ATOM 0 HE2 LYS A 74 34.660 10.995 -4.284 1.00 52.42 H new ATOM 0 HE3 LYS A 74 35.832 9.856 -3.652 1.00 52.42 H new ATOM 0 HZ1 LYS A 74 36.908 11.646 -4.852 1.00 73.03 H new ATOM 0 HZ2 LYS A 74 37.174 10.171 -5.650 1.00 73.03 H new ATOM 0 HZ3 LYS A 74 36.038 11.275 -6.262 1.00 73.03 H new ATOM 1146 N LYS A 75 35.762 4.832 -1.359 1.00 70.13 N ATOM 1147 CA LYS A 75 35.562 4.458 0.036 1.00 63.33 C ATOM 1148 C LYS A 75 34.431 5.268 0.660 1.00 51.31 C ATOM 1149 O LYS A 75 34.493 5.639 1.833 1.00 32.31 O ATOM 1150 CB LYS A 75 36.853 4.667 0.831 1.00 31.11 C ATOM 1151 CG LYS A 75 37.844 3.524 0.693 1.00 1.34 C ATOM 1152 CD LYS A 75 38.623 3.304 1.979 1.00 32.45 C ATOM 1153 CE LYS A 75 39.206 1.901 2.044 1.00 63.51 C ATOM 1154 NZ LYS A 75 39.943 1.664 3.316 1.00 11.04 N ATOM 0 H LYS A 75 35.629 4.069 -2.023 1.00 70.13 H new ATOM 0 HA LYS A 75 35.289 3.403 0.068 1.00 63.33 H new ATOM 0 HB2 LYS A 75 37.328 5.591 0.500 1.00 31.11 H new ATOM 0 HB3 LYS A 75 36.604 4.796 1.884 1.00 31.11 H new ATOM 0 HG2 LYS A 75 37.312 2.610 0.428 1.00 1.34 H new ATOM 0 HG3 LYS A 75 38.537 3.738 -0.121 1.00 1.34 H new ATOM 0 HD2 LYS A 75 39.427 4.037 2.049 1.00 32.45 H new ATOM 0 HD3 LYS A 75 37.968 3.467 2.835 1.00 32.45 H new ATOM 0 HE2 LYS A 75 38.404 1.170 1.948 1.00 63.51 H new ATOM 0 HE3 LYS A 75 39.879 1.748 1.201 1.00 63.51 H new ATOM 0 HZ1 LYS A 75 40.325 0.697 3.321 1.00 11.04 H new ATOM 0 HZ2 LYS A 75 40.725 2.345 3.396 1.00 11.04 H new ATOM 0 HZ3 LYS A 75 39.295 1.784 4.120 1.00 11.04 H new ATOM 1168 N LEU A 76 33.398 5.540 -0.130 1.00 60.41 N ATOM 1169 CA LEU A 76 32.251 6.305 0.346 1.00 41.32 C ATOM 1170 C LEU A 76 30.948 5.726 -0.194 1.00 74.04 C ATOM 1171 O LEU A 76 30.899 5.219 -1.315 1.00 5.41 O ATOM 1172 CB LEU A 76 32.383 7.771 -0.072 1.00 32.04 C ATOM 1173 CG LEU A 76 33.106 8.030 -1.394 1.00 32.01 C ATOM 1174 CD1 LEU A 76 32.219 7.653 -2.570 1.00 75.11 C ATOM 1175 CD2 LEU A 76 33.533 9.487 -1.492 1.00 3.15 C ATOM 0 H LEU A 76 33.331 5.242 -1.103 1.00 60.41 H new ATOM 0 HA LEU A 76 32.230 6.244 1.434 1.00 41.32 H new ATOM 0 HB2 LEU A 76 31.383 8.201 -0.138 1.00 32.04 H new ATOM 0 HB3 LEU A 76 32.909 8.307 0.718 1.00 32.04 H new ATOM 0 HG LEU A 76 34.000 7.407 -1.425 1.00 32.01 H new ATOM 0 HD11 LEU A 76 32.750 7.844 -3.502 1.00 75.11 H new ATOM 0 HD12 LEU A 76 31.963 6.595 -2.508 1.00 75.11 H new ATOM 0 HD13 LEU A 76 31.307 8.249 -2.543 1.00 75.11 H new ATOM 0 HD21 LEU A 76 34.046 9.653 -2.439 1.00 3.15 H new ATOM 0 HD22 LEU A 76 32.653 10.128 -1.439 1.00 3.15 H new ATOM 0 HD23 LEU A 76 34.206 9.725 -0.668 1.00 3.15 H new ATOM 1187 N MET A 77 29.892 5.807 0.609 1.00 23.43 N ATOM 1188 CA MET A 77 28.587 5.293 0.210 1.00 0.20 C ATOM 1189 C MET A 77 27.466 6.157 0.779 1.00 52.12 C ATOM 1190 O MET A 77 27.433 6.438 1.977 1.00 41.43 O ATOM 1191 CB MET A 77 28.419 3.846 0.678 1.00 3.41 C ATOM 1192 CG MET A 77 26.974 3.377 0.695 1.00 73.22 C ATOM 1193 SD MET A 77 26.212 3.533 2.322 1.00 74.35 S ATOM 1194 CE MET A 77 27.176 2.352 3.262 1.00 70.03 C ATOM 0 H MET A 77 29.915 6.224 1.540 1.00 23.43 H new ATOM 0 HA MET A 77 28.530 5.324 -0.878 1.00 0.20 H new ATOM 0 HB2 MET A 77 28.997 3.192 0.025 1.00 3.41 H new ATOM 0 HB3 MET A 77 28.837 3.746 1.680 1.00 3.41 H new ATOM 0 HG2 MET A 77 26.400 3.956 -0.028 1.00 73.22 H new ATOM 0 HG3 MET A 77 26.930 2.336 0.376 1.00 73.22 H new ATOM 0 HE1 MET A 77 26.975 2.482 4.325 1.00 70.03 H new ATOM 0 HE2 MET A 77 26.904 1.340 2.962 1.00 70.03 H new ATOM 0 HE3 MET A 77 28.237 2.514 3.071 1.00 70.03 H new ATOM 1204 N SER A 78 26.549 6.575 -0.088 1.00 41.31 N ATOM 1205 CA SER A 78 25.429 7.411 0.328 1.00 74.33 C ATOM 1206 C SER A 78 24.099 6.736 0.006 1.00 72.24 C ATOM 1207 O SER A 78 23.926 6.160 -1.069 1.00 13.22 O ATOM 1208 CB SER A 78 25.500 8.776 -0.359 1.00 63.23 C ATOM 1209 OG SER A 78 26.680 9.470 0.008 1.00 15.42 O ATOM 0 H SER A 78 26.560 6.348 -1.082 1.00 41.31 H new ATOM 0 HA SER A 78 25.494 7.552 1.407 1.00 74.33 H new ATOM 0 HB2 SER A 78 25.473 8.644 -1.441 1.00 63.23 H new ATOM 0 HB3 SER A 78 24.626 9.369 -0.088 1.00 63.23 H new ATOM 0 HG SER A 78 26.703 10.339 -0.445 1.00 15.42 H new ATOM 1215 N VAL A 79 23.161 6.811 0.945 1.00 24.11 N ATOM 1216 CA VAL A 79 21.846 6.209 0.762 1.00 21.25 C ATOM 1217 C VAL A 79 20.753 7.272 0.742 1.00 63.42 C ATOM 1218 O VAL A 79 20.570 8.007 1.712 1.00 41.35 O ATOM 1219 CB VAL A 79 21.536 5.190 1.876 1.00 54.55 C ATOM 1220 CG1 VAL A 79 20.183 4.536 1.639 1.00 51.32 C ATOM 1221 CG2 VAL A 79 22.636 4.143 1.961 1.00 13.41 C ATOM 0 H VAL A 79 23.288 7.283 1.840 1.00 24.11 H new ATOM 0 HA VAL A 79 21.864 5.693 -0.198 1.00 21.25 H new ATOM 0 HB VAL A 79 21.495 5.719 2.828 1.00 54.55 H new ATOM 0 HG11 VAL A 79 19.981 3.820 2.435 1.00 51.32 H new ATOM 0 HG12 VAL A 79 19.406 5.300 1.632 1.00 51.32 H new ATOM 0 HG13 VAL A 79 20.192 4.019 0.679 1.00 51.32 H new ATOM 0 HG21 VAL A 79 22.401 3.432 2.753 1.00 13.41 H new ATOM 0 HG22 VAL A 79 22.711 3.616 1.010 1.00 13.41 H new ATOM 0 HG23 VAL A 79 23.586 4.630 2.181 1.00 13.41 H new ATOM 1231 N SER A 80 20.029 7.346 -0.370 1.00 51.12 N ATOM 1232 CA SER A 80 18.955 8.322 -0.519 1.00 63.42 C ATOM 1233 C SER A 80 17.605 7.626 -0.661 1.00 31.33 C ATOM 1234 O SER A 80 17.394 6.836 -1.581 1.00 61.41 O ATOM 1235 CB SER A 80 19.212 9.213 -1.736 1.00 25.13 C ATOM 1236 OG SER A 80 18.134 10.106 -1.951 1.00 13.23 O ATOM 0 H SER A 80 20.166 6.742 -1.181 1.00 51.12 H new ATOM 0 HA SER A 80 18.933 8.941 0.378 1.00 63.42 H new ATOM 0 HB2 SER A 80 20.132 9.778 -1.589 1.00 25.13 H new ATOM 0 HB3 SER A 80 19.356 8.593 -2.621 1.00 25.13 H new ATOM 0 HG SER A 80 18.044 10.285 -2.910 1.00 13.23 H new ATOM 1242 N PHE A 81 16.693 7.925 0.258 1.00 11.32 N ATOM 1243 CA PHE A 81 15.362 7.329 0.238 1.00 64.32 C ATOM 1244 C PHE A 81 14.288 8.386 0.474 1.00 3.41 C ATOM 1245 O PHE A 81 14.500 9.347 1.214 1.00 42.22 O ATOM 1246 CB PHE A 81 15.256 6.232 1.299 1.00 20.40 C ATOM 1247 CG PHE A 81 16.054 6.517 2.539 1.00 43.32 C ATOM 1248 CD1 PHE A 81 15.718 7.576 3.367 1.00 53.23 C ATOM 1249 CD2 PHE A 81 17.141 5.727 2.877 1.00 71.14 C ATOM 1250 CE1 PHE A 81 16.451 7.842 4.508 1.00 62.34 C ATOM 1251 CE2 PHE A 81 17.878 5.987 4.017 1.00 50.34 C ATOM 1252 CZ PHE A 81 17.532 7.046 4.834 1.00 71.44 C ATOM 0 H PHE A 81 16.851 8.577 1.026 1.00 11.32 H new ATOM 0 HA PHE A 81 15.203 6.890 -0.747 1.00 64.32 H new ATOM 0 HB2 PHE A 81 14.209 6.102 1.572 1.00 20.40 H new ATOM 0 HB3 PHE A 81 15.592 5.288 0.869 1.00 20.40 H new ATOM 0 HD1 PHE A 81 14.873 8.201 3.118 1.00 53.23 H new ATOM 0 HD2 PHE A 81 17.416 4.898 2.242 1.00 71.14 H new ATOM 0 HE1 PHE A 81 16.179 8.671 5.144 1.00 62.34 H new ATOM 0 HE2 PHE A 81 18.723 5.363 4.269 1.00 50.34 H new ATOM 0 HZ PHE A 81 18.106 7.251 5.726 1.00 71.44 H new ATOM 1262 N SER A 82 13.135 8.202 -0.160 1.00 40.15 N ATOM 1263 CA SER A 82 12.029 9.142 -0.024 1.00 35.04 C ATOM 1264 C SER A 82 10.827 8.474 0.638 1.00 70.10 C ATOM 1265 O SER A 82 10.621 7.268 0.503 1.00 24.42 O ATOM 1266 CB SER A 82 11.629 9.695 -1.393 1.00 0.01 C ATOM 1267 OG SER A 82 11.097 11.004 -1.279 1.00 64.31 O ATOM 0 H SER A 82 12.942 7.410 -0.773 1.00 40.15 H new ATOM 0 HA SER A 82 12.361 9.965 0.609 1.00 35.04 H new ATOM 0 HB2 SER A 82 12.498 9.708 -2.051 1.00 0.01 H new ATOM 0 HB3 SER A 82 10.891 9.038 -1.853 1.00 0.01 H new ATOM 0 HG SER A 82 10.851 11.336 -2.168 1.00 64.31 H new ATOM 1273 N ASP A 83 10.037 9.267 1.353 1.00 32.00 N ATOM 1274 CA ASP A 83 8.854 8.754 2.036 1.00 45.24 C ATOM 1275 C ASP A 83 9.001 7.265 2.333 1.00 44.15 C ATOM 1276 O ASP A 83 8.467 6.423 1.611 1.00 73.31 O ATOM 1277 CB ASP A 83 7.605 8.997 1.188 1.00 34.00 C ATOM 1278 CG ASP A 83 7.265 10.469 1.065 1.00 5.51 C ATOM 1279 OD1 ASP A 83 7.235 11.160 2.105 1.00 21.42 O ATOM 1280 OD2 ASP A 83 7.030 10.932 -0.071 1.00 74.51 O ATOM 0 H ASP A 83 10.194 10.267 1.475 1.00 32.00 H new ATOM 0 HA ASP A 83 8.751 9.286 2.982 1.00 45.24 H new ATOM 0 HB2 ASP A 83 7.758 8.578 0.193 1.00 34.00 H new ATOM 0 HB3 ASP A 83 6.761 8.468 1.630 1.00 34.00 H new ATOM 1285 N ILE A 84 9.730 6.949 3.398 1.00 71.43 N ATOM 1286 CA ILE A 84 9.947 5.562 3.789 1.00 31.54 C ATOM 1287 C ILE A 84 9.552 5.333 5.244 1.00 30.05 C ATOM 1288 O ILE A 84 9.690 6.224 6.083 1.00 35.20 O ATOM 1289 CB ILE A 84 11.417 5.146 3.597 1.00 62.41 C ATOM 1290 CG1 ILE A 84 12.326 5.962 4.519 1.00 72.24 C ATOM 1291 CG2 ILE A 84 11.832 5.322 2.144 1.00 53.02 C ATOM 1292 CD1 ILE A 84 13.212 5.111 5.401 1.00 44.21 C ATOM 0 H ILE A 84 10.180 7.634 4.005 1.00 71.43 H new ATOM 0 HA ILE A 84 9.317 4.950 3.143 1.00 31.54 H new ATOM 0 HB ILE A 84 11.518 4.093 3.858 1.00 62.41 H new ATOM 0 HG12 ILE A 84 12.952 6.616 3.912 1.00 72.24 H new ATOM 0 HG13 ILE A 84 11.710 6.604 5.148 1.00 72.24 H new ATOM 0 HG21 ILE A 84 12.874 5.024 2.024 1.00 53.02 H new ATOM 0 HG22 ILE A 84 11.201 4.701 1.508 1.00 53.02 H new ATOM 0 HG23 ILE A 84 11.719 6.368 1.857 1.00 53.02 H new ATOM 0 HD11 ILE A 84 13.829 5.756 6.027 1.00 44.21 H new ATOM 0 HD12 ILE A 84 12.593 4.475 6.034 1.00 44.21 H new ATOM 0 HD13 ILE A 84 13.854 4.488 4.779 1.00 44.21 H new ATOM 1304 N ASP A 85 9.062 4.133 5.537 1.00 4.32 N ATOM 1305 CA ASP A 85 8.650 3.786 6.892 1.00 30.41 C ATOM 1306 C ASP A 85 9.862 3.493 7.771 1.00 61.01 C ATOM 1307 O ASP A 85 10.941 3.176 7.271 1.00 74.34 O ATOM 1308 CB ASP A 85 7.717 2.574 6.869 1.00 72.00 C ATOM 1309 CG ASP A 85 6.773 2.547 8.055 1.00 1.32 C ATOM 1310 OD1 ASP A 85 6.005 3.518 8.225 1.00 64.10 O ATOM 1311 OD2 ASP A 85 6.802 1.556 8.813 1.00 35.42 O ATOM 0 H ASP A 85 8.941 3.385 4.854 1.00 4.32 H new ATOM 0 HA ASP A 85 8.117 4.638 7.312 1.00 30.41 H new ATOM 0 HB2 ASP A 85 7.136 2.584 5.947 1.00 72.00 H new ATOM 0 HB3 ASP A 85 8.312 1.661 6.861 1.00 72.00 H new ATOM 1316 N GLU A 86 9.676 3.603 9.083 1.00 43.14 N ATOM 1317 CA GLU A 86 10.756 3.352 10.030 1.00 12.01 C ATOM 1318 C GLU A 86 11.142 1.876 10.036 1.00 62.20 C ATOM 1319 O GLU A 86 12.276 1.522 10.355 1.00 63.42 O ATOM 1320 CB GLU A 86 10.341 3.788 11.437 1.00 30.51 C ATOM 1321 CG GLU A 86 9.170 2.998 11.998 1.00 0.31 C ATOM 1322 CD GLU A 86 8.742 3.485 13.369 1.00 72.11 C ATOM 1323 OE1 GLU A 86 8.841 4.704 13.623 1.00 61.22 O ATOM 1324 OE2 GLU A 86 8.308 2.648 14.187 1.00 31.25 O ATOM 0 H GLU A 86 8.789 3.864 9.514 1.00 43.14 H new ATOM 0 HA GLU A 86 11.622 3.935 9.717 1.00 12.01 H new ATOM 0 HB2 GLU A 86 11.194 3.683 12.107 1.00 30.51 H new ATOM 0 HB3 GLU A 86 10.079 4.846 11.418 1.00 30.51 H new ATOM 0 HG2 GLU A 86 8.326 3.069 11.311 1.00 0.31 H new ATOM 0 HG3 GLU A 86 9.443 1.945 12.060 1.00 0.31 H new ATOM 1331 N ASN A 87 10.190 1.019 9.681 1.00 14.54 N ATOM 1332 CA ASN A 87 10.429 -0.419 9.647 1.00 51.33 C ATOM 1333 C ASN A 87 11.550 -0.760 8.669 1.00 34.23 C ATOM 1334 O ASN A 87 12.468 -1.510 9.000 1.00 41.41 O ATOM 1335 CB ASN A 87 9.150 -1.160 9.253 1.00 71.33 C ATOM 1336 CG ASN A 87 9.240 -2.651 9.519 1.00 45.44 C ATOM 1337 OD1 ASN A 87 10.035 -3.356 8.897 1.00 74.24 O ATOM 1338 ND2 ASN A 87 8.424 -3.136 10.447 1.00 64.53 N ATOM 0 H ASN A 87 9.246 1.296 9.413 1.00 14.54 H new ATOM 0 HA ASN A 87 10.732 -0.736 10.645 1.00 51.33 H new ATOM 0 HB2 ASN A 87 8.308 -0.745 9.807 1.00 71.33 H new ATOM 0 HB3 ASN A 87 8.949 -0.994 8.195 1.00 71.33 H new ATOM 0 HD21 ASN A 87 8.439 -4.131 10.670 1.00 64.53 H new ATOM 0 HD22 ASN A 87 7.782 -2.513 10.937 1.00 64.53 H new ATOM 1345 N MET A 88 11.467 -0.205 7.465 1.00 53.51 N ATOM 1346 CA MET A 88 12.475 -0.449 6.440 1.00 11.20 C ATOM 1347 C MET A 88 13.735 0.366 6.712 1.00 42.30 C ATOM 1348 O MET A 88 14.848 -0.078 6.428 1.00 52.23 O ATOM 1349 CB MET A 88 11.920 -0.105 5.056 1.00 20.33 C ATOM 1350 CG MET A 88 11.422 1.326 4.939 1.00 10.15 C ATOM 1351 SD MET A 88 10.331 1.569 3.524 1.00 25.22 S ATOM 1352 CE MET A 88 11.116 0.515 2.307 1.00 24.43 C ATOM 0 H MET A 88 10.712 0.417 7.175 1.00 53.51 H new ATOM 0 HA MET A 88 12.735 -1.507 6.466 1.00 11.20 H new ATOM 0 HB2 MET A 88 12.697 -0.273 4.310 1.00 20.33 H new ATOM 0 HB3 MET A 88 11.102 -0.786 4.822 1.00 20.33 H new ATOM 0 HG2 MET A 88 10.892 1.598 5.852 1.00 10.15 H new ATOM 0 HG3 MET A 88 12.276 1.998 4.854 1.00 10.15 H new ATOM 0 HE1 MET A 88 10.811 0.824 1.307 1.00 24.43 H new ATOM 0 HE2 MET A 88 12.199 0.598 2.398 1.00 24.43 H new ATOM 0 HE3 MET A 88 10.816 -0.520 2.474 1.00 24.43 H new ATOM 1362 N LYS A 89 13.554 1.561 7.264 1.00 51.32 N ATOM 1363 CA LYS A 89 14.676 2.439 7.575 1.00 31.14 C ATOM 1364 C LYS A 89 15.724 1.707 8.408 1.00 41.33 C ATOM 1365 O LYS A 89 16.926 1.894 8.215 1.00 72.40 O ATOM 1366 CB LYS A 89 14.187 3.679 8.327 1.00 33.23 C ATOM 1367 CG LYS A 89 15.029 4.916 8.073 1.00 45.53 C ATOM 1368 CD LYS A 89 16.014 5.163 9.204 1.00 61.15 C ATOM 1369 CE LYS A 89 16.180 6.649 9.484 1.00 21.42 C ATOM 1370 NZ LYS A 89 17.610 7.023 9.661 1.00 45.23 N ATOM 0 H LYS A 89 12.640 1.944 7.505 1.00 51.32 H new ATOM 0 HA LYS A 89 15.134 2.749 6.636 1.00 31.14 H new ATOM 0 HB2 LYS A 89 13.157 3.886 8.038 1.00 33.23 H new ATOM 0 HB3 LYS A 89 14.182 3.467 9.396 1.00 33.23 H new ATOM 0 HG2 LYS A 89 15.572 4.801 7.135 1.00 45.53 H new ATOM 0 HG3 LYS A 89 14.378 5.783 7.960 1.00 45.53 H new ATOM 0 HD2 LYS A 89 15.668 4.658 10.106 1.00 61.15 H new ATOM 0 HD3 LYS A 89 16.981 4.730 8.947 1.00 61.15 H new ATOM 0 HE2 LYS A 89 15.753 7.223 8.662 1.00 21.42 H new ATOM 0 HE3 LYS A 89 15.621 6.914 10.382 1.00 21.42 H new ATOM 0 HZ1 LYS A 89 17.681 8.043 9.850 1.00 45.23 H new ATOM 0 HZ2 LYS A 89 18.011 6.494 10.462 1.00 45.23 H new ATOM 0 HZ3 LYS A 89 18.139 6.794 8.795 1.00 45.23 H new ATOM 1384 N LYS A 90 15.262 0.873 9.333 1.00 53.22 N ATOM 1385 CA LYS A 90 16.159 0.111 10.193 1.00 35.41 C ATOM 1386 C LYS A 90 17.094 -0.764 9.365 1.00 42.03 C ATOM 1387 O LYS A 90 18.268 -0.924 9.698 1.00 5.50 O ATOM 1388 CB LYS A 90 15.353 -0.760 11.161 1.00 40.44 C ATOM 1389 CG LYS A 90 14.817 -2.033 10.531 1.00 72.35 C ATOM 1390 CD LYS A 90 15.805 -3.180 10.663 1.00 42.20 C ATOM 1391 CE LYS A 90 15.105 -4.480 11.027 1.00 71.12 C ATOM 1392 NZ LYS A 90 16.043 -5.637 11.018 1.00 1.54 N ATOM 0 H LYS A 90 14.271 0.708 9.506 1.00 53.22 H new ATOM 0 HA LYS A 90 16.761 0.818 10.764 1.00 35.41 H new ATOM 0 HB2 LYS A 90 15.983 -1.023 12.011 1.00 40.44 H new ATOM 0 HB3 LYS A 90 14.518 -0.178 11.551 1.00 40.44 H new ATOM 0 HG2 LYS A 90 13.875 -2.307 11.006 1.00 72.35 H new ATOM 0 HG3 LYS A 90 14.602 -1.856 9.477 1.00 72.35 H new ATOM 0 HD2 LYS A 90 16.344 -3.307 9.724 1.00 42.20 H new ATOM 0 HD3 LYS A 90 16.545 -2.938 11.426 1.00 42.20 H new ATOM 0 HE2 LYS A 90 14.655 -4.385 12.015 1.00 71.12 H new ATOM 0 HE3 LYS A 90 14.294 -4.665 10.323 1.00 71.12 H new ATOM 0 HZ1 LYS A 90 15.527 -6.504 11.271 1.00 1.54 H new ATOM 0 HZ2 LYS A 90 16.454 -5.743 10.069 1.00 1.54 H new ATOM 0 HZ3 LYS A 90 16.804 -5.473 11.708 1.00 1.54 H new ATOM 1406 N VAL A 91 16.567 -1.328 8.283 1.00 53.45 N ATOM 1407 CA VAL A 91 17.356 -2.184 7.405 1.00 54.11 C ATOM 1408 C VAL A 91 18.355 -1.367 6.594 1.00 63.22 C ATOM 1409 O VAL A 91 19.478 -1.810 6.346 1.00 14.54 O ATOM 1410 CB VAL A 91 16.456 -2.979 6.440 1.00 62.20 C ATOM 1411 CG1 VAL A 91 15.070 -3.171 7.037 1.00 44.21 C ATOM 1412 CG2 VAL A 91 16.373 -2.280 5.092 1.00 51.14 C ATOM 0 H VAL A 91 15.596 -1.207 7.993 1.00 53.45 H new ATOM 0 HA VAL A 91 17.896 -2.882 8.045 1.00 54.11 H new ATOM 0 HB VAL A 91 16.898 -3.963 6.287 1.00 62.20 H new ATOM 0 HG11 VAL A 91 14.449 -3.735 6.341 1.00 44.21 H new ATOM 0 HG12 VAL A 91 15.151 -3.718 7.976 1.00 44.21 H new ATOM 0 HG13 VAL A 91 14.616 -2.198 7.222 1.00 44.21 H new ATOM 0 HG21 VAL A 91 15.733 -2.855 4.423 1.00 51.14 H new ATOM 0 HG22 VAL A 91 15.955 -1.282 5.225 1.00 51.14 H new ATOM 0 HG23 VAL A 91 17.371 -2.201 4.661 1.00 51.14 H new ATOM 1422 N ILE A 92 17.941 -0.174 6.183 1.00 12.51 N ATOM 1423 CA ILE A 92 18.801 0.706 5.401 1.00 31.11 C ATOM 1424 C ILE A 92 19.965 1.223 6.239 1.00 42.20 C ATOM 1425 O ILE A 92 21.115 1.209 5.800 1.00 25.31 O ATOM 1426 CB ILE A 92 18.016 1.905 4.837 1.00 2.12 C ATOM 1427 CG1 ILE A 92 16.635 1.457 4.354 1.00 43.11 C ATOM 1428 CG2 ILE A 92 18.793 2.561 3.705 1.00 35.11 C ATOM 1429 CD1 ILE A 92 15.954 2.464 3.454 1.00 10.10 C ATOM 0 H ILE A 92 17.015 0.206 6.378 1.00 12.51 H new ATOM 0 HA ILE A 92 19.188 0.114 4.572 1.00 31.11 H new ATOM 0 HB ILE A 92 17.881 2.639 5.632 1.00 2.12 H new ATOM 0 HG12 ILE A 92 16.735 0.513 3.819 1.00 43.11 H new ATOM 0 HG13 ILE A 92 16.000 1.267 5.219 1.00 43.11 H new ATOM 0 HG21 ILE A 92 18.226 3.407 3.317 1.00 35.11 H new ATOM 0 HG22 ILE A 92 19.755 2.911 4.079 1.00 35.11 H new ATOM 0 HG23 ILE A 92 18.956 1.836 2.907 1.00 35.11 H new ATOM 0 HD11 ILE A 92 14.980 2.080 3.150 1.00 10.10 H new ATOM 0 HD12 ILE A 92 15.822 3.403 3.992 1.00 10.10 H new ATOM 0 HD13 ILE A 92 16.568 2.636 2.570 1.00 10.10 H new ATOM 1441 N LYS A 93 19.660 1.679 7.449 1.00 34.00 N ATOM 1442 CA LYS A 93 20.680 2.199 8.352 1.00 71.53 C ATOM 1443 C LYS A 93 21.647 1.096 8.772 1.00 14.24 C ATOM 1444 O LYS A 93 22.858 1.305 8.820 1.00 4.43 O ATOM 1445 CB LYS A 93 20.027 2.819 9.589 1.00 24.23 C ATOM 1446 CG LYS A 93 20.124 4.334 9.633 1.00 23.01 C ATOM 1447 CD LYS A 93 21.548 4.794 9.898 1.00 0.21 C ATOM 1448 CE LYS A 93 21.960 4.531 11.339 1.00 52.15 C ATOM 1449 NZ LYS A 93 21.040 5.189 12.307 1.00 0.14 N ATOM 0 H LYS A 93 18.713 1.699 7.827 1.00 34.00 H new ATOM 0 HA LYS A 93 21.242 2.968 7.822 1.00 71.53 H new ATOM 0 HB2 LYS A 93 18.977 2.530 9.619 1.00 24.23 H new ATOM 0 HB3 LYS A 93 20.496 2.407 10.482 1.00 24.23 H new ATOM 0 HG2 LYS A 93 19.777 4.749 8.687 1.00 23.01 H new ATOM 0 HG3 LYS A 93 19.465 4.719 10.411 1.00 23.01 H new ATOM 0 HD2 LYS A 93 22.230 4.277 9.223 1.00 0.21 H new ATOM 0 HD3 LYS A 93 21.633 5.859 9.683 1.00 0.21 H new ATOM 0 HE2 LYS A 93 21.973 3.457 11.523 1.00 52.15 H new ATOM 0 HE3 LYS A 93 22.975 4.894 11.499 1.00 52.15 H new ATOM 0 HZ1 LYS A 93 21.502 5.252 13.237 1.00 0.14 H new ATOM 0 HZ2 LYS A 93 20.808 6.145 11.970 1.00 0.14 H new ATOM 0 HZ3 LYS A 93 20.167 4.630 12.391 1.00 0.14 H new ATOM 1463 N ALA A 94 21.103 -0.078 9.075 1.00 74.01 N ATOM 1464 CA ALA A 94 21.917 -1.214 9.488 1.00 44.13 C ATOM 1465 C ALA A 94 22.871 -1.639 8.376 1.00 55.22 C ATOM 1466 O ALA A 94 24.032 -1.962 8.628 1.00 11.32 O ATOM 1467 CB ALA A 94 21.029 -2.379 9.898 1.00 23.12 C ATOM 0 H ALA A 94 20.101 -0.267 9.042 1.00 74.01 H new ATOM 0 HA ALA A 94 22.515 -0.908 10.347 1.00 44.13 H new ATOM 0 HB1 ALA A 94 21.651 -3.220 10.204 1.00 23.12 H new ATOM 0 HB2 ALA A 94 20.393 -2.076 10.730 1.00 23.12 H new ATOM 0 HB3 ALA A 94 20.406 -2.676 9.054 1.00 23.12 H new ATOM 1473 N THR A 95 22.373 -1.637 7.143 1.00 34.50 N ATOM 1474 CA THR A 95 23.179 -2.025 5.993 1.00 41.44 C ATOM 1475 C THR A 95 24.282 -1.007 5.727 1.00 4.20 C ATOM 1476 O THR A 95 25.429 -1.373 5.472 1.00 42.12 O ATOM 1477 CB THR A 95 22.316 -2.171 4.725 1.00 30.52 C ATOM 1478 OG1 THR A 95 21.306 -3.166 4.933 1.00 44.44 O ATOM 1479 CG2 THR A 95 23.173 -2.554 3.528 1.00 1.11 C ATOM 0 H THR A 95 21.415 -1.371 6.916 1.00 34.50 H new ATOM 0 HA THR A 95 23.627 -2.990 6.232 1.00 41.44 H new ATOM 0 HB THR A 95 21.844 -1.210 4.520 1.00 30.52 H new ATOM 0 HG1 THR A 95 20.615 -2.811 5.531 1.00 44.44 H new ATOM 0 HG21 THR A 95 22.542 -2.651 2.645 1.00 1.11 H new ATOM 0 HG22 THR A 95 23.922 -1.782 3.355 1.00 1.11 H new ATOM 0 HG23 THR A 95 23.670 -3.504 3.725 1.00 1.11 H new ATOM 1487 N ALA A 96 23.928 0.273 5.790 1.00 63.34 N ATOM 1488 CA ALA A 96 24.890 1.344 5.559 1.00 72.55 C ATOM 1489 C ALA A 96 25.962 1.362 6.642 1.00 24.42 C ATOM 1490 O ALA A 96 27.155 1.415 6.346 1.00 65.21 O ATOM 1491 CB ALA A 96 24.178 2.687 5.495 1.00 63.01 C ATOM 0 H ALA A 96 22.982 0.593 5.999 1.00 63.34 H new ATOM 0 HA ALA A 96 25.380 1.159 4.603 1.00 72.55 H new ATOM 0 HB1 ALA A 96 24.908 3.478 5.322 1.00 63.01 H new ATOM 0 HB2 ALA A 96 23.454 2.677 4.680 1.00 63.01 H new ATOM 0 HB3 ALA A 96 23.661 2.870 6.437 1.00 63.01 H new ATOM 1497 N GLU A 97 25.529 1.318 7.898 1.00 20.33 N ATOM 1498 CA GLU A 97 26.454 1.331 9.026 1.00 72.34 C ATOM 1499 C GLU A 97 27.335 0.085 9.021 1.00 32.30 C ATOM 1500 O GLU A 97 28.490 0.125 9.444 1.00 3.42 O ATOM 1501 CB GLU A 97 25.684 1.419 10.345 1.00 54.23 C ATOM 1502 CG GLU A 97 25.187 0.075 10.851 1.00 3.41 C ATOM 1503 CD GLU A 97 26.220 -0.648 11.694 1.00 15.23 C ATOM 1504 OE1 GLU A 97 26.767 -0.024 12.627 1.00 32.13 O ATOM 1505 OE2 GLU A 97 26.480 -1.838 11.420 1.00 34.35 O ATOM 0 H GLU A 97 24.544 1.273 8.160 1.00 20.33 H new ATOM 0 HA GLU A 97 27.094 2.208 8.928 1.00 72.34 H new ATOM 0 HB2 GLU A 97 26.327 1.867 11.102 1.00 54.23 H new ATOM 0 HB3 GLU A 97 24.832 2.086 10.215 1.00 54.23 H new ATOM 0 HG2 GLU A 97 24.282 0.225 11.440 1.00 3.41 H new ATOM 0 HG3 GLU A 97 24.914 -0.551 10.001 1.00 3.41 H new ATOM 1512 N LYS A 98 26.780 -1.023 8.540 1.00 44.21 N ATOM 1513 CA LYS A 98 27.514 -2.282 8.479 1.00 55.34 C ATOM 1514 C LYS A 98 28.779 -2.134 7.639 1.00 33.24 C ATOM 1515 O LYS A 98 29.822 -2.700 7.967 1.00 42.33 O ATOM 1516 CB LYS A 98 26.627 -3.384 7.894 1.00 0.05 C ATOM 1517 CG LYS A 98 27.361 -4.692 7.654 1.00 3.34 C ATOM 1518 CD LYS A 98 26.433 -5.886 7.793 1.00 75.30 C ATOM 1519 CE LYS A 98 26.356 -6.369 9.233 1.00 4.14 C ATOM 1520 NZ LYS A 98 25.236 -5.727 9.975 1.00 50.10 N ATOM 0 H LYS A 98 25.824 -1.075 8.187 1.00 44.21 H new ATOM 0 HA LYS A 98 27.803 -2.556 9.494 1.00 55.34 H new ATOM 0 HB2 LYS A 98 25.792 -3.565 8.571 1.00 0.05 H new ATOM 0 HB3 LYS A 98 26.204 -3.036 6.952 1.00 0.05 H new ATOM 0 HG2 LYS A 98 27.800 -4.686 6.657 1.00 3.34 H new ATOM 0 HG3 LYS A 98 28.183 -4.784 8.364 1.00 3.34 H new ATOM 0 HD2 LYS A 98 25.436 -5.615 7.445 1.00 75.30 H new ATOM 0 HD3 LYS A 98 26.784 -6.697 7.155 1.00 75.30 H new ATOM 0 HE2 LYS A 98 26.227 -7.451 9.246 1.00 4.14 H new ATOM 0 HE3 LYS A 98 27.297 -6.154 9.739 1.00 4.14 H new ATOM 0 HZ1 LYS A 98 24.965 -6.326 10.781 1.00 50.10 H new ATOM 0 HZ2 LYS A 98 25.539 -4.795 10.323 1.00 50.10 H new ATOM 0 HZ3 LYS A 98 24.421 -5.610 9.340 1.00 50.10 H new ATOM 1534 N PHE A 99 28.679 -1.370 6.557 1.00 44.12 N ATOM 1535 CA PHE A 99 29.816 -1.148 5.671 1.00 43.30 C ATOM 1536 C PHE A 99 30.949 -0.438 6.407 1.00 13.41 C ATOM 1537 O PHE A 99 32.126 -0.672 6.134 1.00 70.04 O ATOM 1538 CB PHE A 99 29.389 -0.324 4.454 1.00 34.33 C ATOM 1539 CG PHE A 99 28.957 -1.162 3.285 1.00 32.41 C ATOM 1540 CD1 PHE A 99 29.868 -1.963 2.615 1.00 3.32 C ATOM 1541 CD2 PHE A 99 27.639 -1.151 2.856 1.00 4.52 C ATOM 1542 CE1 PHE A 99 29.474 -2.734 1.539 1.00 74.14 C ATOM 1543 CE2 PHE A 99 27.239 -1.920 1.780 1.00 33.33 C ATOM 1544 CZ PHE A 99 28.157 -2.714 1.121 1.00 0.14 C ATOM 0 H PHE A 99 27.823 -0.894 6.272 1.00 44.12 H new ATOM 0 HA PHE A 99 30.177 -2.120 5.335 1.00 43.30 H new ATOM 0 HB2 PHE A 99 28.570 0.335 4.741 1.00 34.33 H new ATOM 0 HB3 PHE A 99 30.218 0.313 4.147 1.00 34.33 H new ATOM 0 HD1 PHE A 99 30.898 -1.985 2.938 1.00 3.32 H new ATOM 0 HD2 PHE A 99 26.916 -0.534 3.369 1.00 4.52 H new ATOM 0 HE1 PHE A 99 30.195 -3.352 1.025 1.00 74.14 H new ATOM 0 HE2 PHE A 99 26.209 -1.900 1.455 1.00 33.33 H new ATOM 0 HZ PHE A 99 27.846 -3.318 0.281 1.00 0.14 H new ATOM 1554 N LYS A 100 30.584 0.432 7.343 1.00 50.53 N ATOM 1555 CA LYS A 100 31.567 1.178 8.120 1.00 31.42 C ATOM 1556 C LYS A 100 32.428 0.235 8.955 1.00 13.24 C ATOM 1557 O LYS A 100 33.590 0.526 9.236 1.00 14.03 O ATOM 1558 CB LYS A 100 30.867 2.188 9.031 1.00 11.44 C ATOM 1559 CG LYS A 100 31.590 3.520 9.131 1.00 3.22 C ATOM 1560 CD LYS A 100 32.408 3.617 10.409 1.00 75.44 C ATOM 1561 CE LYS A 100 33.657 4.460 10.208 1.00 2.25 C ATOM 1562 NZ LYS A 100 34.184 4.986 11.498 1.00 30.13 N ATOM 0 H LYS A 100 29.614 0.638 7.582 1.00 50.53 H new ATOM 0 HA LYS A 100 32.214 1.713 7.425 1.00 31.42 H new ATOM 0 HB2 LYS A 100 29.856 2.360 8.660 1.00 11.44 H new ATOM 0 HB3 LYS A 100 30.772 1.760 10.029 1.00 11.44 H new ATOM 0 HG2 LYS A 100 32.245 3.645 8.269 1.00 3.22 H new ATOM 0 HG3 LYS A 100 30.864 4.332 9.100 1.00 3.22 H new ATOM 0 HD2 LYS A 100 31.798 4.052 11.201 1.00 75.44 H new ATOM 0 HD3 LYS A 100 32.692 2.617 10.738 1.00 75.44 H new ATOM 0 HE2 LYS A 100 34.425 3.861 9.719 1.00 2.25 H new ATOM 0 HE3 LYS A 100 33.430 5.292 9.542 1.00 2.25 H new ATOM 0 HZ1 LYS A 100 35.036 5.556 11.319 1.00 30.13 H new ATOM 0 HZ2 LYS A 100 33.460 5.579 11.953 1.00 30.13 H new ATOM 0 HZ3 LYS A 100 34.424 4.192 12.125 1.00 30.13 H new ATOM 1576 N ASN A 101 31.850 -0.895 9.348 1.00 73.40 N ATOM 1577 CA ASN A 101 32.565 -1.881 10.150 1.00 0.04 C ATOM 1578 C ASN A 101 33.763 -2.437 9.387 1.00 25.25 C ATOM 1579 O ASN A 101 34.663 -3.038 9.975 1.00 45.20 O ATOM 1580 CB ASN A 101 31.627 -3.022 10.550 1.00 11.55 C ATOM 1581 CG ASN A 101 30.481 -2.548 11.423 1.00 34.11 C ATOM 1582 OD1 ASN A 101 29.849 -1.530 11.139 1.00 73.40 O ATOM 1583 ND2 ASN A 101 30.207 -3.286 12.492 1.00 22.45 N ATOM 0 H ASN A 101 30.888 -1.151 9.124 1.00 73.40 H new ATOM 0 HA ASN A 101 32.928 -1.386 11.051 1.00 0.04 H new ATOM 0 HB2 ASN A 101 31.226 -3.491 9.652 1.00 11.55 H new ATOM 0 HB3 ASN A 101 32.194 -3.786 11.082 1.00 11.55 H new ATOM 0 HD21 ASN A 101 29.447 -3.017 13.116 1.00 22.45 H new ATOM 0 HD22 ASN A 101 30.757 -4.122 12.689 1.00 22.45 H new ATOM 1590 N LYS A 102 33.769 -2.233 8.075 1.00 51.43 N ATOM 1591 CA LYS A 102 34.857 -2.711 7.230 1.00 74.03 C ATOM 1592 C LYS A 102 35.866 -1.600 6.961 1.00 1.41 C ATOM 1593 O LYS A 102 36.837 -1.793 6.231 1.00 42.11 O ATOM 1594 CB LYS A 102 34.305 -3.244 5.906 1.00 73.14 C ATOM 1595 CG LYS A 102 35.187 -4.298 5.259 1.00 32.23 C ATOM 1596 CD LYS A 102 34.576 -4.823 3.971 1.00 41.44 C ATOM 1597 CE LYS A 102 35.520 -5.776 3.254 1.00 42.21 C ATOM 1598 NZ LYS A 102 35.907 -6.927 4.117 1.00 52.55 N ATOM 0 H LYS A 102 33.032 -1.739 7.572 1.00 51.43 H new ATOM 0 HA LYS A 102 35.365 -3.519 7.757 1.00 74.03 H new ATOM 0 HB2 LYS A 102 33.315 -3.667 6.079 1.00 73.14 H new ATOM 0 HB3 LYS A 102 34.180 -2.412 5.213 1.00 73.14 H new ATOM 0 HG2 LYS A 102 36.169 -3.874 5.050 1.00 32.23 H new ATOM 0 HG3 LYS A 102 35.338 -5.124 5.954 1.00 32.23 H new ATOM 0 HD2 LYS A 102 33.640 -5.335 4.194 1.00 41.44 H new ATOM 0 HD3 LYS A 102 34.334 -3.987 3.315 1.00 41.44 H new ATOM 0 HE2 LYS A 102 35.042 -6.147 2.347 1.00 42.21 H new ATOM 0 HE3 LYS A 102 36.415 -5.236 2.945 1.00 42.21 H new ATOM 0 HZ1 LYS A 102 36.409 -7.636 3.545 1.00 52.55 H new ATOM 0 HZ2 LYS A 102 36.530 -6.594 4.881 1.00 52.55 H new ATOM 0 HZ3 LYS A 102 35.053 -7.355 4.528 1.00 52.55 H new ATOM 1612 N GLY A 103 35.630 -0.435 7.558 1.00 45.00 N ATOM 1613 CA GLY A 103 36.529 0.689 7.371 1.00 11.45 C ATOM 1614 C GLY A 103 36.204 1.491 6.127 1.00 73.03 C ATOM 1615 O GLY A 103 36.993 1.533 5.183 1.00 41.12 O ATOM 0 H GLY A 103 34.833 -0.250 8.167 1.00 45.00 H new ATOM 0 HA2 GLY A 103 36.477 1.341 8.243 1.00 11.45 H new ATOM 0 HA3 GLY A 103 37.554 0.324 7.306 1.00 11.45 H new ATOM 1619 N PHE A 104 35.037 2.128 6.123 1.00 64.11 N ATOM 1620 CA PHE A 104 34.608 2.930 4.983 1.00 1.03 C ATOM 1621 C PHE A 104 33.785 4.130 5.442 1.00 0.21 C ATOM 1622 O PHE A 104 33.639 4.377 6.640 1.00 62.34 O ATOM 1623 CB PHE A 104 33.789 2.077 4.012 1.00 45.32 C ATOM 1624 CG PHE A 104 34.591 1.001 3.337 1.00 32.12 C ATOM 1625 CD1 PHE A 104 34.784 -0.225 3.952 1.00 25.54 C ATOM 1626 CD2 PHE A 104 35.150 1.215 2.088 1.00 50.03 C ATOM 1627 CE1 PHE A 104 35.522 -1.217 3.334 1.00 21.32 C ATOM 1628 CE2 PHE A 104 35.888 0.227 1.464 1.00 23.33 C ATOM 1629 CZ PHE A 104 36.074 -0.991 2.088 1.00 33.41 C ATOM 0 H PHE A 104 34.372 2.104 6.896 1.00 64.11 H new ATOM 0 HA PHE A 104 35.498 3.296 4.472 1.00 1.03 H new ATOM 0 HB2 PHE A 104 32.962 1.617 4.553 1.00 45.32 H new ATOM 0 HB3 PHE A 104 33.352 2.724 3.252 1.00 45.32 H new ATOM 0 HD1 PHE A 104 34.353 -0.408 4.925 1.00 25.54 H new ATOM 0 HD2 PHE A 104 35.007 2.166 1.596 1.00 50.03 H new ATOM 0 HE1 PHE A 104 35.667 -2.168 3.825 1.00 21.32 H new ATOM 0 HE2 PHE A 104 36.319 0.407 0.490 1.00 23.33 H new ATOM 0 HZ PHE A 104 36.650 -1.765 1.603 1.00 33.41 H new ATOM 1639 N LYS A 105 33.249 4.875 4.481 1.00 61.41 N ATOM 1640 CA LYS A 105 32.440 6.049 4.784 1.00 53.15 C ATOM 1641 C LYS A 105 30.988 5.830 4.371 1.00 14.20 C ATOM 1642 O LYS A 105 30.692 5.606 3.197 1.00 23.32 O ATOM 1643 CB LYS A 105 33.004 7.280 4.070 1.00 14.12 C ATOM 1644 CG LYS A 105 32.117 8.508 4.183 1.00 74.11 C ATOM 1645 CD LYS A 105 32.012 8.990 5.620 1.00 35.11 C ATOM 1646 CE LYS A 105 31.509 10.424 5.692 1.00 62.23 C ATOM 1647 NZ LYS A 105 30.024 10.488 5.778 1.00 71.42 N ATOM 0 H LYS A 105 33.361 4.686 3.485 1.00 61.41 H new ATOM 0 HA LYS A 105 32.472 6.214 5.861 1.00 53.15 H new ATOM 0 HB2 LYS A 105 33.985 7.512 4.484 1.00 14.12 H new ATOM 0 HB3 LYS A 105 33.150 7.043 3.016 1.00 14.12 H new ATOM 0 HG2 LYS A 105 32.518 9.306 3.559 1.00 74.11 H new ATOM 0 HG3 LYS A 105 31.122 8.276 3.803 1.00 74.11 H new ATOM 0 HD2 LYS A 105 31.337 8.338 6.175 1.00 35.11 H new ATOM 0 HD3 LYS A 105 32.988 8.921 6.100 1.00 35.11 H new ATOM 0 HE2 LYS A 105 31.945 10.918 6.560 1.00 62.23 H new ATOM 0 HE3 LYS A 105 31.846 10.971 4.812 1.00 62.23 H new ATOM 0 HZ1 LYS A 105 29.679 11.303 5.231 1.00 71.42 H new ATOM 0 HZ2 LYS A 105 29.616 9.613 5.391 1.00 71.42 H new ATOM 0 HZ3 LYS A 105 29.738 10.593 6.772 1.00 71.42 H new ATOM 1661 N VAL A 106 30.084 5.898 5.344 1.00 41.53 N ATOM 1662 CA VAL A 106 28.662 5.710 5.081 1.00 43.41 C ATOM 1663 C VAL A 106 27.864 6.952 5.461 1.00 2.34 C ATOM 1664 O VAL A 106 27.981 7.459 6.576 1.00 3.34 O ATOM 1665 CB VAL A 106 28.105 4.499 5.852 1.00 54.13 C ATOM 1666 CG1 VAL A 106 28.951 4.213 7.082 1.00 4.14 C ATOM 1667 CG2 VAL A 106 26.652 4.736 6.237 1.00 42.10 C ATOM 0 H VAL A 106 30.311 6.082 6.321 1.00 41.53 H new ATOM 0 HA VAL A 106 28.559 5.529 4.011 1.00 43.41 H new ATOM 0 HB VAL A 106 28.147 3.625 5.201 1.00 54.13 H new ATOM 0 HG11 VAL A 106 28.542 3.354 7.614 1.00 4.14 H new ATOM 0 HG12 VAL A 106 29.975 3.997 6.777 1.00 4.14 H new ATOM 0 HG13 VAL A 106 28.944 5.083 7.739 1.00 4.14 H new ATOM 0 HG21 VAL A 106 26.274 3.870 6.781 1.00 42.10 H new ATOM 0 HG22 VAL A 106 26.583 5.621 6.870 1.00 42.10 H new ATOM 0 HG23 VAL A 106 26.057 4.887 5.336 1.00 42.10 H new ATOM 1677 N GLU A 107 27.052 7.437 4.527 1.00 63.33 N ATOM 1678 CA GLU A 107 26.235 8.620 4.765 1.00 55.21 C ATOM 1679 C GLU A 107 24.778 8.360 4.390 1.00 24.23 C ATOM 1680 O GLU A 107 24.489 7.617 3.452 1.00 64.52 O ATOM 1681 CB GLU A 107 26.773 9.809 3.966 1.00 24.20 C ATOM 1682 CG GLU A 107 25.906 11.053 4.066 1.00 24.31 C ATOM 1683 CD GLU A 107 26.656 12.318 3.697 1.00 64.23 C ATOM 1684 OE1 GLU A 107 27.496 12.261 2.774 1.00 24.31 O ATOM 1685 OE2 GLU A 107 26.404 13.364 4.330 1.00 51.15 O ATOM 0 H GLU A 107 26.943 7.029 3.599 1.00 63.33 H new ATOM 0 HA GLU A 107 26.283 8.854 5.828 1.00 55.21 H new ATOM 0 HB2 GLU A 107 27.777 10.047 4.317 1.00 24.20 H new ATOM 0 HB3 GLU A 107 26.862 9.522 2.918 1.00 24.20 H new ATOM 0 HG2 GLU A 107 25.042 10.943 3.410 1.00 24.31 H new ATOM 0 HG3 GLU A 107 25.525 11.145 5.083 1.00 24.31 H new ATOM 1692 N THR A 108 23.863 8.977 5.131 1.00 22.14 N ATOM 1693 CA THR A 108 22.437 8.812 4.879 1.00 23.55 C ATOM 1694 C THR A 108 21.781 10.145 4.541 1.00 75.33 C ATOM 1695 O THR A 108 21.993 11.144 5.227 1.00 12.42 O ATOM 1696 CB THR A 108 21.720 8.193 6.094 1.00 3.04 C ATOM 1697 OG1 THR A 108 21.893 9.030 7.244 1.00 63.44 O ATOM 1698 CG2 THR A 108 22.258 6.801 6.389 1.00 73.31 C ATOM 0 H THR A 108 24.084 9.596 5.911 1.00 22.14 H new ATOM 0 HA THR A 108 22.342 8.138 4.028 1.00 23.55 H new ATOM 0 HB THR A 108 20.659 8.113 5.859 1.00 3.04 H new ATOM 0 HG1 THR A 108 21.433 8.631 8.012 1.00 63.44 H new ATOM 0 HG21 THR A 108 21.737 6.384 7.251 1.00 73.31 H new ATOM 0 HG22 THR A 108 22.099 6.158 5.523 1.00 73.31 H new ATOM 0 HG23 THR A 108 23.325 6.861 6.605 1.00 73.31 H new ATOM 1706 N ASP A 109 20.982 10.153 3.479 1.00 30.51 N ATOM 1707 CA ASP A 109 20.292 11.364 3.050 1.00 21.41 C ATOM 1708 C ASP A 109 18.815 11.310 3.428 1.00 40.32 C ATOM 1709 O ASP A 109 18.295 10.256 3.792 1.00 3.01 O ATOM 1710 CB ASP A 109 20.439 11.552 1.539 1.00 34.34 C ATOM 1711 CG ASP A 109 20.648 13.003 1.154 1.00 35.01 C ATOM 1712 OD1 ASP A 109 19.642 13.706 0.925 1.00 54.24 O ATOM 1713 OD2 ASP A 109 21.817 13.435 1.081 1.00 0.53 O ATOM 0 H ASP A 109 20.796 9.334 2.900 1.00 30.51 H new ATOM 0 HA ASP A 109 20.748 12.213 3.559 1.00 21.41 H new ATOM 0 HB2 ASP A 109 21.282 10.960 1.182 1.00 34.34 H new ATOM 0 HB3 ASP A 109 19.548 11.171 1.040 1.00 34.34 H new