USER MOD reduce.3.24.130724 H: found=0, std=0, add=1315, rem=0, adj=52 USER MOD reduce.3.24.130724 removed 1313 hydrogens (52 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 126 THR OG1 : rot 180:sc= 0.00351 USER MOD Set 1.2: A 145 MET CE :methyl -149:sc= -0.503 (180deg=-1.46!) USER MOD Set 2.1: A 83 LYS NZ :NH3+ -151:sc= 0.642 (180deg=-1.95!) USER MOD Set 2.2: A 111 MET CE :methyl 174:sc= -3.19! (180deg=-3.54!) USER MOD Set 3.1: A 31 LYS NZ :NH3+ 180:sc= -1.38 (180deg=-1.19) USER MOD Set 3.2: A 32 MET CE :methyl -118:sc= -3.15! (180deg=-6.03!) USER MOD Set 3.3: A 55 LYS NZ :NH3+ -165:sc=-0.000318 (180deg=-0.082) USER MOD Set 4.1: A 21 ASN :FLIP amide:sc= -3.25! C(o=-12!,f=-10!) USER MOD Set 4.2: A 99 TYR OH : rot 150:sc= -3.06! USER MOD Set 4.3: A 110 HIS : no HD1:sc= -1.45! C(o=-10!,f=-20!) USER MOD Set 4.4: A 142 MET CE :methyl 158:sc= -2.46 (180deg=-3.52!) USER MOD Set 5.1: A 14 TYR OH : rot 180:sc= -0.625 USER MOD Set 5.2: A 36 MET CE :methyl -169:sc= -2.01 (180deg=-1.3) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -161:sc= -0.0408 (180deg=-0.461) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 158:sc= -0.0512 (180deg=-0.391) USER MOD Single : A 20 SER OG : rot 121:sc= -0.526 USER MOD Single : A 22 THR OG1 : rot -82:sc= -0.523! USER MOD Single : A 29 LYS NZ :NH3+ -142:sc= -1.61! (180deg=-3.21!) USER MOD Single : A 33 LYS NZ :NH3+ -140:sc= 0.576 (180deg=0.0526) USER MOD Single : A 34 MET CE :methyl -145:sc= -5.25! (180deg=-10.1!) USER MOD Single : A 40 SER OG : rot -28:sc= 0.228 USER MOD Single : A 48 LYS NZ :NH3+ 154:sc= 0.00101 (180deg=0) USER MOD Single : A 50 SER OG : rot 16:sc= 0.0872 USER MOD Single : A 51 TYR OH : rot 68:sc= 0.0418 USER MOD Single : A 57 ASN : amide:sc= -0.475 X(o=-0.47,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot -46:sc= -0.369 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 152:sc= -0.151 (180deg=-1.18!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.265 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 165:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot -114:sc= 0.612 USER MOD Single : A 82 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.15) USER MOD Single : A 84 LYS NZ :NH3+ -171:sc= -1.71 (180deg=-1.81) USER MOD Single : A 90 THR OG1 : rot -140:sc= 0.182 USER MOD Single : A 92 TYR OH : rot -70:sc= -2.51! USER MOD Single : A 93 LYS NZ :NH3+ -106:sc= -2.36 (180deg=-4.98!) USER MOD Single : A 94 SER OG : rot 108:sc= 0.549 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 46:sc= 0.616 USER MOD Single : A 104 LYS NZ :NH3+ 159:sc= -0.188 (180deg=-0.973) USER MOD Single : A 108 THR OG1 : rot -110:sc= -0.157 USER MOD Single : A 112 MET CE :methyl -132:sc= -1.29 (180deg=-2.89!) USER MOD Single : A 115 TYR OH : rot -30:sc= -0.888 USER MOD Single : A 116 SER OG : rot -158:sc= 1.68 USER MOD Single : A 118 SER OG : rot 180:sc= -0.605 USER MOD Single : A 122 SER OG : rot -144:sc= 0.345 USER MOD Single : A 131 LYS NZ :NH3+ 156:sc= -0.0945 (180deg=-0.679) USER MOD Single : A 137 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 138 TYR OH : rot 180:sc= -0.481 USER MOD Single : A 139 THR OG1 : rot -120:sc= -0.579 USER MOD Single : A 149 GLN : amide:sc= -0.196 X(o=-0.2,f=-0.2) USER MOD Single : A 153 THR OG1 : rot 180:sc= 0 USER MOD Single : A 300 ACD O2 : rot 130:sc= -0.758 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.348 21.907 -20.554 1.00 0.00 N ATOM 2 CA MET A 1 -2.539 22.777 -20.762 1.00 52.33 C ATOM 3 C MET A 1 -3.807 21.951 -20.575 1.00 51.04 C ATOM 4 O MET A 1 -4.588 22.193 -19.654 1.00 30.31 O ATOM 5 CB MET A 1 -2.500 23.361 -22.175 1.00 13.13 C ATOM 6 CG MET A 1 -1.249 24.227 -22.336 1.00 61.45 C ATOM 7 SD MET A 1 -1.250 24.990 -23.978 1.00 3.13 S ATOM 8 CE MET A 1 0.443 25.627 -23.932 1.00 53.23 C ATOM 0 H1 MET A 1 -0.515 22.499 -20.361 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.518 21.274 -19.747 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.179 21.340 -21.409 1.00 0.00 H new ATOM 0 HA MET A 1 -2.532 23.591 -20.038 1.00 52.33 H new ATOM 0 HB2 MET A 1 -2.496 22.558 -22.912 1.00 13.13 H new ATOM 0 HB3 MET A 1 -3.394 23.957 -22.358 1.00 13.13 H new ATOM 0 HG2 MET A 1 -1.225 24.997 -21.565 1.00 61.45 H new ATOM 0 HG3 MET A 1 -0.354 23.619 -22.206 1.00 61.45 H new ATOM 0 HE1 MET A 1 0.662 26.146 -24.865 1.00 53.23 H new ATOM 0 HE2 MET A 1 0.548 26.321 -23.098 1.00 53.23 H new ATOM 0 HE3 MET A 1 1.140 24.799 -23.805 1.00 53.23 H new ATOM 20 N THR A 2 -4.008 20.977 -21.456 1.00 3.32 N ATOM 21 CA THR A 2 -5.185 20.121 -21.380 1.00 31.51 C ATOM 22 C THR A 2 -5.158 19.284 -20.105 1.00 71.12 C ATOM 23 O THR A 2 -6.135 18.613 -19.770 1.00 74.10 O ATOM 24 CB THR A 2 -5.239 19.196 -22.598 1.00 64.55 C ATOM 25 OG1 THR A 2 -4.106 18.339 -22.589 1.00 52.22 O ATOM 26 CG2 THR A 2 -5.239 20.034 -23.878 1.00 22.21 C ATOM 0 H THR A 2 -3.375 20.762 -22.226 1.00 3.32 H new ATOM 0 HA THR A 2 -6.071 20.756 -21.366 1.00 31.51 H new ATOM 0 HB THR A 2 -6.149 18.597 -22.560 1.00 64.55 H new ATOM 0 HG1 THR A 2 -4.139 17.744 -23.367 1.00 52.22 H new ATOM 0 HG21 THR A 2 -5.277 19.374 -24.745 1.00 22.21 H new ATOM 0 HG22 THR A 2 -6.109 20.691 -23.883 1.00 22.21 H new ATOM 0 HG23 THR A 2 -4.331 20.635 -23.919 1.00 22.21 H new ATOM 34 N VAL A 3 -4.033 19.329 -19.397 1.00 51.41 N ATOM 35 CA VAL A 3 -3.886 18.572 -18.156 1.00 50.35 C ATOM 36 C VAL A 3 -2.949 19.308 -17.195 1.00 51.14 C ATOM 37 O VAL A 3 -2.046 20.022 -17.630 1.00 15.20 O ATOM 38 CB VAL A 3 -3.316 17.182 -18.464 1.00 31.51 C ATOM 39 CG1 VAL A 3 -4.415 16.295 -19.054 1.00 44.41 C ATOM 40 CG2 VAL A 3 -2.175 17.315 -19.475 1.00 4.21 C ATOM 0 H VAL A 3 -3.214 19.878 -19.659 1.00 51.41 H new ATOM 0 HA VAL A 3 -4.865 18.469 -17.688 1.00 50.35 H new ATOM 0 HB VAL A 3 -2.942 16.732 -17.545 1.00 31.51 H new ATOM 0 HG11 VAL A 3 -4.008 15.308 -19.272 1.00 44.41 H new ATOM 0 HG12 VAL A 3 -5.231 16.201 -18.337 1.00 44.41 H new ATOM 0 HG13 VAL A 3 -4.790 16.744 -19.974 1.00 44.41 H new ATOM 0 HG21 VAL A 3 -1.768 16.328 -19.696 1.00 4.21 H new ATOM 0 HG22 VAL A 3 -2.553 17.765 -20.393 1.00 4.21 H new ATOM 0 HG23 VAL A 3 -1.391 17.946 -19.057 1.00 4.21 H new ATOM 50 N PRO A 4 -3.140 19.151 -15.907 1.00 73.12 N ATOM 51 CA PRO A 4 -2.283 19.821 -14.883 1.00 12.34 C ATOM 52 C PRO A 4 -0.865 19.254 -14.866 1.00 15.51 C ATOM 53 O PRO A 4 -0.664 18.055 -15.064 1.00 74.25 O ATOM 54 CB PRO A 4 -3.011 19.544 -13.560 1.00 35.35 C ATOM 55 CG PRO A 4 -3.794 18.296 -13.803 1.00 23.14 C ATOM 56 CD PRO A 4 -4.187 18.322 -15.281 1.00 53.44 C ATOM 0 HA PRO A 4 -2.156 20.885 -15.082 1.00 12.34 H new ATOM 0 HB2 PRO A 4 -2.304 19.413 -12.741 1.00 35.35 H new ATOM 0 HB3 PRO A 4 -3.664 20.373 -13.288 1.00 35.35 H new ATOM 0 HG2 PRO A 4 -3.199 17.412 -13.574 1.00 23.14 H new ATOM 0 HG3 PRO A 4 -4.677 18.260 -13.166 1.00 23.14 H new ATOM 0 HD2 PRO A 4 -4.211 17.319 -15.707 1.00 53.44 H new ATOM 0 HD3 PRO A 4 -5.178 18.753 -15.424 1.00 53.44 H new ATOM 64 N ASP A 5 0.113 20.121 -14.627 1.00 12.22 N ATOM 65 CA ASP A 5 1.506 19.693 -14.586 1.00 22.15 C ATOM 66 C ASP A 5 1.783 18.896 -13.315 1.00 22.21 C ATOM 67 O ASP A 5 1.660 19.414 -12.205 1.00 60.12 O ATOM 68 CB ASP A 5 2.429 20.912 -14.636 1.00 34.44 C ATOM 69 CG ASP A 5 2.306 21.603 -15.991 1.00 21.53 C ATOM 70 OD1 ASP A 5 1.732 21.007 -16.888 1.00 50.33 O ATOM 71 OD2 ASP A 5 2.787 22.717 -16.112 1.00 32.44 O ATOM 0 H ASP A 5 -0.031 21.117 -14.460 1.00 12.22 H new ATOM 0 HA ASP A 5 1.697 19.057 -15.451 1.00 22.15 H new ATOM 0 HB2 ASP A 5 2.170 21.608 -13.838 1.00 34.44 H new ATOM 0 HB3 ASP A 5 3.461 20.604 -14.467 1.00 34.44 H new ATOM 76 N ARG A 6 2.156 17.631 -13.487 1.00 61.24 N ATOM 77 CA ARG A 6 2.445 16.769 -12.347 1.00 11.45 C ATOM 78 C ARG A 6 3.437 17.437 -11.401 1.00 51.04 C ATOM 79 O ARG A 6 3.472 17.134 -10.209 1.00 22.12 O ATOM 80 CB ARG A 6 2.997 15.418 -12.828 1.00 11.40 C ATOM 81 CG ARG A 6 4.402 15.584 -13.431 1.00 43.01 C ATOM 82 CD ARG A 6 4.345 16.485 -14.668 1.00 14.15 C ATOM 83 NE ARG A 6 5.495 16.231 -15.526 1.00 25.21 N ATOM 84 CZ ARG A 6 5.488 16.583 -16.808 1.00 74.32 C ATOM 85 NH1 ARG A 6 4.437 17.163 -17.320 1.00 62.45 N ATOM 86 NH2 ARG A 6 6.531 16.346 -17.555 1.00 72.43 N ATOM 0 H ARG A 6 2.264 17.184 -14.397 1.00 61.24 H new ATOM 0 HA ARG A 6 1.516 16.597 -11.804 1.00 11.45 H new ATOM 0 HB2 ARG A 6 3.035 14.718 -11.993 1.00 11.40 H new ATOM 0 HB3 ARG A 6 2.325 14.990 -13.572 1.00 11.40 H new ATOM 0 HG2 ARG A 6 5.075 16.015 -12.690 1.00 43.01 H new ATOM 0 HG3 ARG A 6 4.807 14.609 -13.701 1.00 43.01 H new ATOM 0 HD2 ARG A 6 3.423 16.301 -15.219 1.00 14.15 H new ATOM 0 HD3 ARG A 6 4.332 17.532 -14.365 1.00 14.15 H new ATOM 0 HE ARG A 6 6.320 15.775 -15.136 1.00 25.21 H new ATOM 0 HH11 ARG A 6 3.621 17.346 -16.737 1.00 62.45 H new ATOM 0 HH12 ARG A 6 4.432 17.433 -18.304 1.00 62.45 H new ATOM 0 HH21 ARG A 6 7.352 15.891 -17.155 1.00 72.43 H new ATOM 0 HH22 ARG A 6 6.526 16.616 -18.539 1.00 72.43 H new ATOM 100 N SER A 7 4.241 18.346 -11.938 1.00 24.50 N ATOM 101 CA SER A 7 5.228 19.049 -11.129 1.00 15.21 C ATOM 102 C SER A 7 4.544 19.810 -9.996 1.00 62.44 C ATOM 103 O SER A 7 5.105 19.961 -8.911 1.00 0.01 O ATOM 104 CB SER A 7 6.017 20.027 -11.999 1.00 52.42 C ATOM 105 OG SER A 7 7.052 20.616 -11.224 1.00 23.24 O ATOM 0 H SER A 7 4.230 18.612 -12.923 1.00 24.50 H new ATOM 0 HA SER A 7 5.910 18.315 -10.701 1.00 15.21 H new ATOM 0 HB2 SER A 7 6.441 19.507 -12.858 1.00 52.42 H new ATOM 0 HB3 SER A 7 5.355 20.800 -12.390 1.00 52.42 H new ATOM 0 HG SER A 7 7.561 21.243 -11.780 1.00 23.24 H new ATOM 111 N GLU A 8 3.334 20.292 -10.261 1.00 55.43 N ATOM 112 CA GLU A 8 2.583 21.044 -9.262 1.00 74.40 C ATOM 113 C GLU A 8 2.311 20.194 -8.023 1.00 61.42 C ATOM 114 O GLU A 8 2.571 20.625 -6.900 1.00 24.35 O ATOM 115 CB GLU A 8 1.256 21.517 -9.861 1.00 43.14 C ATOM 116 CG GLU A 8 0.582 22.510 -8.911 1.00 42.40 C ATOM 117 CD GLU A 8 1.384 23.806 -8.853 1.00 53.01 C ATOM 118 OE1 GLU A 8 2.085 24.088 -9.811 1.00 42.34 O ATOM 119 OE2 GLU A 8 1.283 24.498 -7.854 1.00 45.21 O ATOM 0 H GLU A 8 2.855 20.176 -11.154 1.00 55.43 H new ATOM 0 HA GLU A 8 3.181 21.905 -8.963 1.00 74.40 H new ATOM 0 HB2 GLU A 8 1.431 21.987 -10.829 1.00 43.14 H new ATOM 0 HB3 GLU A 8 0.600 20.664 -10.035 1.00 43.14 H new ATOM 0 HG2 GLU A 8 -0.434 22.716 -9.249 1.00 42.40 H new ATOM 0 HG3 GLU A 8 0.504 22.076 -7.914 1.00 42.40 H new ATOM 126 N ILE A 9 1.781 18.990 -8.228 1.00 32.20 N ATOM 127 CA ILE A 9 1.476 18.103 -7.108 1.00 44.52 C ATOM 128 C ILE A 9 2.715 17.309 -6.687 1.00 71.22 C ATOM 129 O ILE A 9 2.845 16.929 -5.523 1.00 34.23 O ATOM 130 CB ILE A 9 0.322 17.141 -7.481 1.00 12.34 C ATOM 131 CG1 ILE A 9 0.493 15.800 -6.740 1.00 51.22 C ATOM 132 CG2 ILE A 9 0.337 16.887 -8.990 1.00 71.51 C ATOM 133 CD1 ILE A 9 -0.788 14.955 -6.815 1.00 22.25 C ATOM 0 H ILE A 9 1.556 18.610 -9.147 1.00 32.20 H new ATOM 0 HA ILE A 9 1.162 18.717 -6.264 1.00 44.52 H new ATOM 0 HB ILE A 9 -0.626 17.595 -7.192 1.00 12.34 H new ATOM 0 HG12 ILE A 9 1.324 15.245 -7.175 1.00 51.22 H new ATOM 0 HG13 ILE A 9 0.747 15.988 -5.697 1.00 51.22 H new ATOM 0 HG21 ILE A 9 -0.475 16.210 -9.253 1.00 71.51 H new ATOM 0 HG22 ILE A 9 0.208 17.831 -9.519 1.00 71.51 H new ATOM 0 HG23 ILE A 9 1.289 16.439 -9.274 1.00 71.51 H new ATOM 0 HD11 ILE A 9 -0.636 14.016 -6.283 1.00 22.25 H new ATOM 0 HD12 ILE A 9 -1.612 15.502 -6.357 1.00 22.25 H new ATOM 0 HD13 ILE A 9 -1.026 14.747 -7.858 1.00 22.25 H new ATOM 145 N ALA A 10 3.624 17.051 -7.623 1.00 72.21 N ATOM 146 CA ALA A 10 4.818 16.292 -7.270 1.00 65.35 C ATOM 147 C ALA A 10 5.721 17.126 -6.379 1.00 33.31 C ATOM 148 O ALA A 10 5.852 18.335 -6.565 1.00 3.55 O ATOM 149 CB ALA A 10 5.584 15.798 -8.504 1.00 40.42 C ATOM 0 H ALA A 10 3.562 17.344 -8.598 1.00 72.21 H new ATOM 0 HA ALA A 10 4.492 15.406 -6.725 1.00 65.35 H new ATOM 0 HB1 ALA A 10 6.464 15.239 -8.186 1.00 40.42 H new ATOM 0 HB2 ALA A 10 4.938 15.151 -9.098 1.00 40.42 H new ATOM 0 HB3 ALA A 10 5.895 16.652 -9.106 1.00 40.42 H new ATOM 155 N GLY A 11 6.332 16.471 -5.396 1.00 73.14 N ATOM 156 CA GLY A 11 7.213 17.148 -4.453 1.00 23.13 C ATOM 157 C GLY A 11 6.638 17.063 -3.042 1.00 62.21 C ATOM 158 O GLY A 11 7.383 17.000 -2.064 1.00 2.41 O ATOM 0 H GLY A 11 6.232 15.469 -5.233 1.00 73.14 H new ATOM 0 HA2 GLY A 11 8.203 16.693 -4.478 1.00 23.13 H new ATOM 0 HA3 GLY A 11 7.334 18.192 -4.742 1.00 23.13 H new ATOM 162 N LYS A 12 5.307 17.056 -2.940 1.00 50.22 N ATOM 163 CA LYS A 12 4.658 16.971 -1.634 1.00 64.23 C ATOM 164 C LYS A 12 3.181 16.583 -1.754 1.00 33.14 C ATOM 165 O LYS A 12 2.357 17.385 -2.194 1.00 23.54 O ATOM 166 CB LYS A 12 4.771 18.316 -0.915 1.00 54.11 C ATOM 167 CG LYS A 12 4.336 18.156 0.543 1.00 51.14 C ATOM 168 CD LYS A 12 4.423 19.507 1.254 1.00 1.44 C ATOM 169 CE LYS A 12 4.273 19.302 2.763 1.00 14.14 C ATOM 170 NZ LYS A 12 5.505 18.659 3.301 1.00 61.31 N ATOM 0 H LYS A 12 4.668 17.107 -3.733 1.00 50.22 H new ATOM 0 HA LYS A 12 5.165 16.193 -1.063 1.00 64.23 H new ATOM 0 HB2 LYS A 12 5.798 18.679 -0.961 1.00 54.11 H new ATOM 0 HB3 LYS A 12 4.147 19.059 -1.412 1.00 54.11 H new ATOM 0 HG2 LYS A 12 3.316 17.774 0.589 1.00 51.14 H new ATOM 0 HG3 LYS A 12 4.972 17.427 1.045 1.00 51.14 H new ATOM 0 HD2 LYS A 12 5.378 19.984 1.035 1.00 1.44 H new ATOM 0 HD3 LYS A 12 3.642 20.173 0.888 1.00 1.44 H new ATOM 0 HE2 LYS A 12 4.104 20.259 3.256 1.00 14.14 H new ATOM 0 HE3 LYS A 12 3.404 18.679 2.972 1.00 14.14 H new ATOM 0 HZ1 LYS A 12 5.579 18.850 4.321 1.00 61.31 H new ATOM 0 HZ2 LYS A 12 5.458 17.632 3.143 1.00 61.31 H new ATOM 0 HZ3 LYS A 12 6.339 19.046 2.815 1.00 61.31 H new ATOM 184 N TRP A 13 2.842 15.363 -1.323 1.00 70.35 N ATOM 185 CA TRP A 13 1.453 14.895 -1.344 1.00 13.43 C ATOM 186 C TRP A 13 1.001 14.744 0.107 1.00 24.03 C ATOM 187 O TRP A 13 1.697 14.109 0.901 1.00 52.23 O ATOM 188 CB TRP A 13 1.398 13.511 -2.021 1.00 71.25 C ATOM 189 CG TRP A 13 1.642 13.597 -3.468 1.00 54.10 C ATOM 190 CD1 TRP A 13 2.656 14.246 -4.065 1.00 2.22 C ATOM 191 CD2 TRP A 13 0.868 12.967 -4.518 1.00 25.22 C ATOM 192 NE1 TRP A 13 2.559 14.037 -5.417 1.00 24.14 N ATOM 193 CE2 TRP A 13 1.487 13.238 -5.741 1.00 45.02 C ATOM 194 CE3 TRP A 13 -0.293 12.175 -4.522 1.00 10.34 C ATOM 195 CZ2 TRP A 13 0.996 12.741 -6.939 1.00 1.41 C ATOM 196 CZ3 TRP A 13 -0.805 11.676 -5.728 1.00 62.30 C ATOM 197 CH2 TRP A 13 -0.156 11.952 -6.938 1.00 42.33 C ATOM 0 H TRP A 13 3.509 14.684 -0.956 1.00 70.35 H new ATOM 0 HA TRP A 13 0.817 15.594 -1.886 1.00 13.43 H new ATOM 0 HB2 TRP A 13 2.140 12.855 -1.566 1.00 71.25 H new ATOM 0 HB3 TRP A 13 0.422 13.059 -1.844 1.00 71.25 H new ATOM 0 HD1 TRP A 13 3.415 14.831 -3.567 1.00 2.22 H new ATOM 0 HE1 TRP A 13 3.206 14.428 -6.102 1.00 24.14 H new ATOM 0 HE3 TRP A 13 -0.793 11.950 -3.592 1.00 10.34 H new ATOM 0 HZ2 TRP A 13 1.502 12.963 -7.867 1.00 1.41 H new ATOM 0 HZ3 TRP A 13 -1.703 11.076 -5.724 1.00 62.30 H new ATOM 0 HH2 TRP A 13 -0.544 11.557 -7.865 1.00 42.33 H new ATOM 208 N TYR A 14 -0.122 15.355 0.480 1.00 55.13 N ATOM 209 CA TYR A 14 -0.582 15.296 1.871 1.00 3.33 C ATOM 210 C TYR A 14 -1.697 14.269 2.060 1.00 31.42 C ATOM 211 O TYR A 14 -2.759 14.380 1.461 1.00 34.32 O ATOM 212 CB TYR A 14 -1.084 16.698 2.284 1.00 20.12 C ATOM 213 CG TYR A 14 -0.413 17.175 3.560 1.00 42.10 C ATOM 214 CD1 TYR A 14 0.985 17.168 3.669 1.00 33.50 C ATOM 215 CD2 TYR A 14 -1.193 17.637 4.629 1.00 62.44 C ATOM 216 CE1 TYR A 14 1.597 17.619 4.843 1.00 51.12 C ATOM 217 CE2 TYR A 14 -0.577 18.087 5.803 1.00 44.23 C ATOM 218 CZ TYR A 14 0.817 18.079 5.909 1.00 0.24 C ATOM 219 OH TYR A 14 1.424 18.525 7.065 1.00 12.22 O ATOM 0 H TYR A 14 -0.723 15.889 -0.148 1.00 55.13 H new ATOM 0 HA TYR A 14 0.253 14.986 2.499 1.00 3.33 H new ATOM 0 HB2 TYR A 14 -0.887 17.408 1.481 1.00 20.12 H new ATOM 0 HB3 TYR A 14 -2.164 16.671 2.428 1.00 20.12 H new ATOM 0 HD1 TYR A 14 1.589 16.814 2.847 1.00 33.50 H new ATOM 0 HD2 TYR A 14 -2.270 17.646 4.547 1.00 62.44 H new ATOM 0 HE1 TYR A 14 2.674 17.612 4.927 1.00 51.12 H new ATOM 0 HE2 TYR A 14 -1.179 18.440 6.627 1.00 44.23 H new ATOM 0 HH TYR A 14 0.739 18.810 7.705 1.00 12.22 H new ATOM 229 N VAL A 15 -1.445 13.305 2.944 1.00 31.05 N ATOM 230 CA VAL A 15 -2.432 12.272 3.272 1.00 33.51 C ATOM 231 C VAL A 15 -3.241 12.735 4.478 1.00 44.40 C ATOM 232 O VAL A 15 -2.659 13.140 5.481 1.00 12.25 O ATOM 233 CB VAL A 15 -1.719 10.957 3.604 1.00 30.14 C ATOM 234 CG1 VAL A 15 -2.747 9.917 4.056 1.00 11.52 C ATOM 235 CG2 VAL A 15 -0.978 10.441 2.365 1.00 55.14 C ATOM 0 H VAL A 15 -0.563 13.216 3.449 1.00 31.05 H new ATOM 0 HA VAL A 15 -3.092 12.109 2.420 1.00 33.51 H new ATOM 0 HB VAL A 15 -1.001 11.130 4.405 1.00 30.14 H new ATOM 0 HG11 VAL A 15 -2.239 8.982 4.292 1.00 11.52 H new ATOM 0 HG12 VAL A 15 -3.267 10.281 4.942 1.00 11.52 H new ATOM 0 HG13 VAL A 15 -3.468 9.747 3.256 1.00 11.52 H new ATOM 0 HG21 VAL A 15 -0.473 9.506 2.606 1.00 55.14 H new ATOM 0 HG22 VAL A 15 -1.692 10.270 1.559 1.00 55.14 H new ATOM 0 HG23 VAL A 15 -0.242 11.180 2.047 1.00 55.14 H new ATOM 245 N VAL A 16 -4.576 12.715 4.384 1.00 72.41 N ATOM 246 CA VAL A 16 -5.398 13.193 5.503 1.00 62.20 C ATOM 247 C VAL A 16 -6.624 12.338 5.788 1.00 74.34 C ATOM 248 O VAL A 16 -7.412 12.686 6.667 1.00 14.05 O ATOM 249 CB VAL A 16 -5.860 14.612 5.222 1.00 71.13 C ATOM 250 CG1 VAL A 16 -4.637 15.515 5.013 1.00 21.45 C ATOM 251 CG2 VAL A 16 -6.735 14.623 3.964 1.00 41.30 C ATOM 0 H VAL A 16 -5.098 12.384 3.572 1.00 72.41 H new ATOM 0 HA VAL A 16 -4.760 13.138 6.385 1.00 62.20 H new ATOM 0 HB VAL A 16 -6.440 14.983 6.067 1.00 71.13 H new ATOM 0 HG11 VAL A 16 -4.967 16.534 4.811 1.00 21.45 H new ATOM 0 HG12 VAL A 16 -4.020 15.505 5.911 1.00 21.45 H new ATOM 0 HG13 VAL A 16 -4.054 15.148 4.168 1.00 21.45 H new ATOM 0 HG21 VAL A 16 -7.067 15.641 3.761 1.00 41.30 H new ATOM 0 HG22 VAL A 16 -6.158 14.254 3.116 1.00 41.30 H new ATOM 0 HG23 VAL A 16 -7.603 13.982 4.119 1.00 41.30 H new ATOM 261 N ALA A 17 -6.755 11.199 5.131 1.00 31.30 N ATOM 262 CA ALA A 17 -7.874 10.304 5.430 1.00 63.12 C ATOM 263 C ALA A 17 -7.814 9.081 4.546 1.00 50.22 C ATOM 264 O ALA A 17 -7.487 9.179 3.363 1.00 25.22 O ATOM 265 CB ALA A 17 -9.227 11.005 5.222 1.00 40.12 C ATOM 0 H ALA A 17 -6.120 10.871 4.403 1.00 31.30 H new ATOM 0 HA ALA A 17 -7.788 10.013 6.477 1.00 63.12 H new ATOM 0 HB1 ALA A 17 -10.035 10.311 5.453 1.00 40.12 H new ATOM 0 HB2 ALA A 17 -9.293 11.871 5.880 1.00 40.12 H new ATOM 0 HB3 ALA A 17 -9.313 11.330 4.185 1.00 40.12 H new ATOM 271 N LEU A 18 -8.101 7.920 5.117 1.00 41.03 N ATOM 272 CA LEU A 18 -8.039 6.686 4.350 1.00 14.30 C ATOM 273 C LEU A 18 -9.078 5.690 4.860 1.00 1.41 C ATOM 274 O LEU A 18 -9.380 5.641 6.053 1.00 54.35 O ATOM 275 CB LEU A 18 -6.604 6.116 4.466 1.00 13.23 C ATOM 276 CG LEU A 18 -6.580 4.570 4.443 1.00 44.51 C ATOM 277 CD1 LEU A 18 -5.297 4.087 3.760 1.00 73.45 C ATOM 278 CD2 LEU A 18 -6.613 4.024 5.876 1.00 42.33 C ATOM 0 H LEU A 18 -8.375 7.807 6.093 1.00 41.03 H new ATOM 0 HA LEU A 18 -8.267 6.878 3.302 1.00 14.30 H new ATOM 0 HB2 LEU A 18 -5.997 6.498 3.646 1.00 13.23 H new ATOM 0 HB3 LEU A 18 -6.149 6.470 5.391 1.00 13.23 H new ATOM 0 HG LEU A 18 -7.452 4.212 3.895 1.00 44.51 H new ATOM 0 HD11 LEU A 18 -5.281 2.997 3.744 1.00 73.45 H new ATOM 0 HD12 LEU A 18 -5.264 4.465 2.738 1.00 73.45 H new ATOM 0 HD13 LEU A 18 -4.431 4.455 4.311 1.00 73.45 H new ATOM 0 HD21 LEU A 18 -6.596 2.934 5.851 1.00 42.33 H new ATOM 0 HD22 LEU A 18 -5.744 4.388 6.424 1.00 42.33 H new ATOM 0 HD23 LEU A 18 -7.523 4.361 6.373 1.00 42.33 H new ATOM 290 N ALA A 19 -9.608 4.888 3.938 1.00 72.11 N ATOM 291 CA ALA A 19 -10.597 3.873 4.279 1.00 31.11 C ATOM 292 C ALA A 19 -10.038 2.498 3.961 1.00 13.13 C ATOM 293 O ALA A 19 -9.065 2.372 3.221 1.00 23.53 O ATOM 294 CB ALA A 19 -11.894 4.086 3.497 1.00 4.41 C ATOM 0 H ALA A 19 -9.367 4.924 2.948 1.00 72.11 H new ATOM 0 HA ALA A 19 -10.819 3.951 5.343 1.00 31.11 H new ATOM 0 HB1 ALA A 19 -12.614 3.315 3.770 1.00 4.41 H new ATOM 0 HB2 ALA A 19 -12.305 5.067 3.734 1.00 4.41 H new ATOM 0 HB3 ALA A 19 -11.688 4.028 2.428 1.00 4.41 H new ATOM 300 N SER A 20 -10.650 1.471 4.525 1.00 62.30 N ATOM 301 CA SER A 20 -10.185 0.113 4.294 1.00 12.45 C ATOM 302 C SER A 20 -11.210 -0.902 4.760 1.00 24.04 C ATOM 303 O SER A 20 -12.260 -0.551 5.299 1.00 71.24 O ATOM 304 CB SER A 20 -8.869 -0.118 5.035 1.00 43.13 C ATOM 305 OG SER A 20 -9.117 -0.158 6.434 1.00 1.05 O ATOM 0 H SER A 20 -11.461 1.548 5.139 1.00 62.30 H new ATOM 0 HA SER A 20 -10.033 -0.015 3.222 1.00 12.45 H new ATOM 0 HB2 SER A 20 -8.414 -1.053 4.708 1.00 43.13 H new ATOM 0 HB3 SER A 20 -8.163 0.679 4.802 1.00 43.13 H new ATOM 0 HG SER A 20 -8.822 -1.020 6.794 1.00 1.05 H new ATOM 311 N ASN A 21 -10.868 -2.167 4.577 1.00 54.23 N ATOM 312 CA ASN A 21 -11.721 -3.267 5.004 1.00 53.10 C ATOM 313 C ASN A 21 -10.972 -4.062 6.056 1.00 74.32 C ATOM 314 O ASN A 21 -11.564 -4.795 6.848 1.00 11.43 O ATOM 315 CB ASN A 21 -12.069 -4.166 3.816 1.00 23.03 C ATOM 316 CG ASN A 21 -12.943 -3.405 2.825 1.00 70.51 C ATOM 317 OD1 ASN A 21 -13.143 -3.897 1.634 1.00 72.43 O flip ATOM 318 ND2 ASN A 21 -13.456 -2.333 3.145 1.00 32.42 N flip ATOM 0 H ASN A 21 -9.998 -2.460 4.132 1.00 54.23 H new ATOM 0 HA ASN A 21 -12.652 -2.878 5.415 1.00 53.10 H new ATOM 0 HB2 ASN A 21 -11.156 -4.503 3.325 1.00 23.03 H new ATOM 0 HB3 ASN A 21 -12.591 -5.057 4.164 1.00 23.03 H new ATOM 0 HD21 ASN A 21 -13.298 -1.950 4.077 1.00 32.42 H new ATOM 0 HD22 ASN A 21 -14.039 -1.827 2.478 1.00 32.42 H new ATOM 325 N THR A 22 -9.653 -3.875 6.072 1.00 11.02 N ATOM 326 CA THR A 22 -8.807 -4.540 7.046 1.00 40.13 C ATOM 327 C THR A 22 -8.846 -3.745 8.348 1.00 24.02 C ATOM 328 O THR A 22 -8.284 -2.656 8.449 1.00 72.43 O ATOM 329 CB THR A 22 -7.370 -4.659 6.516 1.00 71.12 C ATOM 330 OG1 THR A 22 -6.640 -5.550 7.345 1.00 52.53 O ATOM 331 CG2 THR A 22 -6.681 -3.291 6.511 1.00 44.44 C ATOM 0 H THR A 22 -9.154 -3.269 5.421 1.00 11.02 H new ATOM 0 HA THR A 22 -9.173 -5.550 7.228 1.00 40.13 H new ATOM 0 HB THR A 22 -7.402 -5.037 5.494 1.00 71.12 H new ATOM 0 HG1 THR A 22 -6.317 -5.070 8.136 1.00 52.53 H new ATOM 0 HG21 THR A 22 -5.664 -3.397 6.132 1.00 44.44 H new ATOM 0 HG22 THR A 22 -7.237 -2.606 5.871 1.00 44.44 H new ATOM 0 HG23 THR A 22 -6.651 -2.895 7.526 1.00 44.44 H new ATOM 339 N GLU A 23 -9.573 -4.273 9.318 1.00 50.22 N ATOM 340 CA GLU A 23 -9.750 -3.586 10.591 1.00 21.22 C ATOM 341 C GLU A 23 -8.452 -2.958 11.080 1.00 33.42 C ATOM 342 O GLU A 23 -8.475 -1.946 11.775 1.00 60.34 O ATOM 343 CB GLU A 23 -10.274 -4.569 11.640 1.00 55.34 C ATOM 344 CG GLU A 23 -10.527 -3.832 12.956 1.00 23.42 C ATOM 345 CD GLU A 23 -11.199 -4.766 13.955 1.00 42.13 C ATOM 346 OE1 GLU A 23 -11.411 -5.917 13.611 1.00 72.44 O ATOM 347 OE2 GLU A 23 -11.494 -4.317 15.051 1.00 64.13 O ATOM 0 H GLU A 23 -10.050 -5.172 9.251 1.00 50.22 H new ATOM 0 HA GLU A 23 -10.472 -2.784 10.439 1.00 21.22 H new ATOM 0 HB2 GLU A 23 -11.196 -5.033 11.289 1.00 55.34 H new ATOM 0 HB3 GLU A 23 -9.552 -5.371 11.794 1.00 55.34 H new ATOM 0 HG2 GLU A 23 -9.585 -3.466 13.364 1.00 23.42 H new ATOM 0 HG3 GLU A 23 -11.158 -2.961 12.779 1.00 23.42 H new ATOM 354 N PHE A 24 -7.328 -3.554 10.729 1.00 12.32 N ATOM 355 CA PHE A 24 -6.041 -3.028 11.164 1.00 62.34 C ATOM 356 C PHE A 24 -5.841 -1.561 10.757 1.00 43.04 C ATOM 357 O PHE A 24 -5.433 -0.741 11.581 1.00 34.23 O ATOM 358 CB PHE A 24 -4.906 -3.878 10.580 1.00 11.12 C ATOM 359 CG PHE A 24 -5.322 -5.334 10.537 1.00 35.23 C ATOM 360 CD1 PHE A 24 -5.937 -5.926 11.648 1.00 51.11 C ATOM 361 CD2 PHE A 24 -5.087 -6.091 9.383 1.00 74.23 C ATOM 362 CE1 PHE A 24 -6.318 -7.273 11.602 1.00 43.22 C ATOM 363 CE2 PHE A 24 -5.468 -7.438 9.338 1.00 62.52 C ATOM 364 CZ PHE A 24 -6.084 -8.028 10.447 1.00 60.21 C ATOM 0 H PHE A 24 -7.276 -4.393 10.151 1.00 12.32 H new ATOM 0 HA PHE A 24 -6.026 -3.074 12.253 1.00 62.34 H new ATOM 0 HB2 PHE A 24 -4.660 -3.531 9.576 1.00 11.12 H new ATOM 0 HB3 PHE A 24 -4.007 -3.765 11.186 1.00 11.12 H new ATOM 0 HD1 PHE A 24 -6.117 -5.344 12.540 1.00 51.11 H new ATOM 0 HD2 PHE A 24 -4.612 -5.636 8.527 1.00 74.23 H new ATOM 0 HE1 PHE A 24 -6.793 -7.729 12.458 1.00 43.22 H new ATOM 0 HE2 PHE A 24 -5.286 -8.021 8.447 1.00 62.52 H new ATOM 0 HZ PHE A 24 -6.379 -9.066 10.412 1.00 60.21 H new ATOM 374 N PHE A 25 -6.067 -1.236 9.483 1.00 4.22 N ATOM 375 CA PHE A 25 -5.839 0.129 8.987 1.00 53.40 C ATOM 376 C PHE A 25 -6.868 1.156 9.490 1.00 44.12 C ATOM 377 O PHE A 25 -6.492 2.230 9.954 1.00 73.34 O ATOM 378 CB PHE A 25 -5.843 0.114 7.444 1.00 14.51 C ATOM 379 CG PHE A 25 -4.715 0.966 6.891 1.00 12.54 C ATOM 380 CD1 PHE A 25 -4.407 2.203 7.473 1.00 75.12 C ATOM 381 CD2 PHE A 25 -3.978 0.513 5.789 1.00 23.01 C ATOM 382 CE1 PHE A 25 -3.367 2.982 6.955 1.00 44.54 C ATOM 383 CE2 PHE A 25 -2.939 1.294 5.272 1.00 21.51 C ATOM 384 CZ PHE A 25 -2.633 2.529 5.855 1.00 1.40 C ATOM 0 H PHE A 25 -6.405 -1.891 8.778 1.00 4.22 H new ATOM 0 HA PHE A 25 -4.873 0.445 9.379 1.00 53.40 H new ATOM 0 HB2 PHE A 25 -5.739 -0.910 7.086 1.00 14.51 H new ATOM 0 HB3 PHE A 25 -6.799 0.485 7.075 1.00 14.51 H new ATOM 0 HD1 PHE A 25 -4.973 2.555 8.322 1.00 75.12 H new ATOM 0 HD2 PHE A 25 -4.212 -0.440 5.338 1.00 23.01 H new ATOM 0 HE1 PHE A 25 -3.131 3.935 7.406 1.00 44.54 H new ATOM 0 HE2 PHE A 25 -2.372 0.944 4.422 1.00 21.51 H new ATOM 0 HZ PHE A 25 -1.831 3.131 5.455 1.00 1.40 H new ATOM 394 N LEU A 26 -8.153 0.840 9.394 1.00 51.21 N ATOM 395 CA LEU A 26 -9.176 1.788 9.842 1.00 24.04 C ATOM 396 C LEU A 26 -9.128 1.951 11.357 1.00 24.21 C ATOM 397 O LEU A 26 -9.219 3.064 11.880 1.00 34.11 O ATOM 398 CB LEU A 26 -10.574 1.341 9.387 1.00 11.33 C ATOM 399 CG LEU A 26 -10.845 -0.123 9.799 1.00 54.15 C ATOM 400 CD1 LEU A 26 -11.746 -0.159 11.037 1.00 52.55 C ATOM 401 CD2 LEU A 26 -11.550 -0.859 8.649 1.00 64.21 C ATOM 0 H LEU A 26 -8.510 -0.040 9.021 1.00 51.21 H new ATOM 0 HA LEU A 26 -8.967 2.756 9.386 1.00 24.04 H new ATOM 0 HB2 LEU A 26 -11.330 1.993 9.826 1.00 11.33 H new ATOM 0 HB3 LEU A 26 -10.658 1.440 8.305 1.00 11.33 H new ATOM 0 HG LEU A 26 -9.895 -0.608 10.024 1.00 54.15 H new ATOM 0 HD11 LEU A 26 -11.933 -1.195 11.321 1.00 52.55 H new ATOM 0 HD12 LEU A 26 -11.255 0.360 11.860 1.00 52.55 H new ATOM 0 HD13 LEU A 26 -12.693 0.332 10.812 1.00 52.55 H new ATOM 0 HD21 LEU A 26 -11.741 -1.892 8.941 1.00 64.21 H new ATOM 0 HD22 LEU A 26 -12.495 -0.364 8.426 1.00 64.21 H new ATOM 0 HD23 LEU A 26 -10.915 -0.844 7.763 1.00 64.21 H new ATOM 413 N ARG A 27 -8.971 0.835 12.051 1.00 34.32 N ATOM 414 CA ARG A 27 -8.899 0.868 13.505 1.00 64.22 C ATOM 415 C ARG A 27 -7.757 1.782 13.943 1.00 1.05 C ATOM 416 O ARG A 27 -7.927 2.625 14.823 1.00 3.25 O ATOM 417 CB ARG A 27 -8.680 -0.542 14.065 1.00 51.33 C ATOM 418 CG ARG A 27 -8.674 -0.508 15.600 1.00 52.22 C ATOM 419 CD ARG A 27 -10.037 -0.040 16.127 1.00 54.13 C ATOM 420 NE ARG A 27 -10.275 -0.586 17.458 1.00 14.32 N ATOM 421 CZ ARG A 27 -9.693 -0.060 18.532 1.00 52.13 C ATOM 422 NH1 ARG A 27 -8.893 0.962 18.405 1.00 34.32 N ATOM 423 NH2 ARG A 27 -9.923 -0.568 19.712 1.00 70.23 N ATOM 0 H ARG A 27 -8.892 -0.095 11.639 1.00 34.32 H new ATOM 0 HA ARG A 27 -9.842 1.253 13.893 1.00 64.22 H new ATOM 0 HB2 ARG A 27 -9.467 -1.208 13.712 1.00 51.33 H new ATOM 0 HB3 ARG A 27 -7.735 -0.944 13.699 1.00 51.33 H new ATOM 0 HG2 ARG A 27 -8.446 -1.499 15.992 1.00 52.22 H new ATOM 0 HG3 ARG A 27 -7.890 0.162 15.953 1.00 52.22 H new ATOM 0 HD2 ARG A 27 -10.068 1.049 16.162 1.00 54.13 H new ATOM 0 HD3 ARG A 27 -10.827 -0.360 15.448 1.00 54.13 H new ATOM 0 HE ARG A 27 -10.899 -1.386 17.567 1.00 14.32 H new ATOM 0 HH11 ARG A 27 -8.714 1.358 17.482 1.00 34.32 H new ATOM 0 HH12 ARG A 27 -8.447 1.366 19.229 1.00 34.32 H new ATOM 0 HH21 ARG A 27 -10.549 -1.368 19.810 1.00 70.23 H new ATOM 0 HH22 ARG A 27 -9.477 -0.165 20.536 1.00 70.23 H new ATOM 437 N GLU A 28 -6.587 1.592 13.338 1.00 12.43 N ATOM 438 CA GLU A 28 -5.416 2.389 13.691 1.00 52.20 C ATOM 439 C GLU A 28 -5.444 3.776 13.038 1.00 15.22 C ATOM 440 O GLU A 28 -5.083 4.772 13.668 1.00 34.35 O ATOM 441 CB GLU A 28 -4.145 1.648 13.261 1.00 33.00 C ATOM 442 CG GLU A 28 -2.948 2.155 14.072 1.00 20.23 C ATOM 443 CD GLU A 28 -3.011 1.611 15.495 1.00 43.21 C ATOM 444 OE1 GLU A 28 -3.710 0.634 15.706 1.00 1.12 O ATOM 445 OE2 GLU A 28 -2.359 2.179 16.355 1.00 0.13 O ATOM 0 H GLU A 28 -6.425 0.899 12.607 1.00 12.43 H new ATOM 0 HA GLU A 28 -5.426 2.531 14.772 1.00 52.20 H new ATOM 0 HB2 GLU A 28 -4.270 0.576 13.412 1.00 33.00 H new ATOM 0 HB3 GLU A 28 -3.966 1.802 12.197 1.00 33.00 H new ATOM 0 HG2 GLU A 28 -2.018 1.843 13.596 1.00 20.23 H new ATOM 0 HG3 GLU A 28 -2.947 3.245 14.091 1.00 20.23 H new ATOM 452 N LYS A 29 -5.868 3.867 11.783 1.00 53.01 N ATOM 453 CA LYS A 29 -5.896 5.164 11.115 1.00 53.24 C ATOM 454 C LYS A 29 -6.543 6.198 12.023 1.00 15.32 C ATOM 455 O LYS A 29 -6.242 7.389 11.948 1.00 61.42 O ATOM 456 CB LYS A 29 -6.686 5.048 9.802 1.00 64.24 C ATOM 457 CG LYS A 29 -6.935 6.435 9.189 1.00 14.12 C ATOM 458 CD LYS A 29 -5.602 7.135 8.916 1.00 44.31 C ATOM 459 CE LYS A 29 -5.828 8.325 7.980 1.00 43.22 C ATOM 460 NZ LYS A 29 -4.513 8.883 7.559 1.00 33.11 N ATOM 0 H LYS A 29 -6.190 3.081 11.219 1.00 53.01 H new ATOM 0 HA LYS A 29 -4.876 5.479 10.893 1.00 53.24 H new ATOM 0 HB2 LYS A 29 -6.136 4.427 9.095 1.00 64.24 H new ATOM 0 HB3 LYS A 29 -7.638 4.552 9.988 1.00 64.24 H new ATOM 0 HG2 LYS A 29 -7.499 6.336 8.262 1.00 14.12 H new ATOM 0 HG3 LYS A 29 -7.539 7.038 9.867 1.00 14.12 H new ATOM 0 HD2 LYS A 29 -5.160 7.475 9.853 1.00 44.31 H new ATOM 0 HD3 LYS A 29 -4.898 6.435 8.467 1.00 44.31 H new ATOM 0 HE2 LYS A 29 -6.398 8.010 7.106 1.00 43.22 H new ATOM 0 HE3 LYS A 29 -6.416 9.092 8.485 1.00 43.22 H new ATOM 0 HZ1 LYS A 29 -4.575 9.920 7.512 1.00 33.11 H new ATOM 0 HZ2 LYS A 29 -3.784 8.611 8.248 1.00 33.11 H new ATOM 0 HZ3 LYS A 29 -4.261 8.509 6.622 1.00 33.11 H new ATOM 474 N ASP A 30 -7.448 5.732 12.865 1.00 25.34 N ATOM 475 CA ASP A 30 -8.159 6.613 13.776 1.00 24.43 C ATOM 476 C ASP A 30 -7.234 7.224 14.830 1.00 2.55 C ATOM 477 O ASP A 30 -7.539 8.289 15.366 1.00 42.30 O ATOM 478 CB ASP A 30 -9.275 5.836 14.475 1.00 21.02 C ATOM 479 CG ASP A 30 -10.159 6.793 15.270 1.00 23.24 C ATOM 480 OD1 ASP A 30 -9.927 7.988 15.187 1.00 74.02 O ATOM 481 OD2 ASP A 30 -11.053 6.317 15.949 1.00 64.35 O ATOM 0 H ASP A 30 -7.708 4.748 12.937 1.00 25.34 H new ATOM 0 HA ASP A 30 -8.574 7.428 13.184 1.00 24.43 H new ATOM 0 HB2 ASP A 30 -9.874 5.302 13.738 1.00 21.02 H new ATOM 0 HB3 ASP A 30 -8.846 5.087 15.140 1.00 21.02 H new ATOM 486 N LYS A 31 -6.125 6.548 15.163 1.00 21.32 N ATOM 487 CA LYS A 31 -5.228 7.073 16.199 1.00 0.23 C ATOM 488 C LYS A 31 -4.074 7.915 15.650 1.00 11.45 C ATOM 489 O LYS A 31 -3.492 8.696 16.402 1.00 4.11 O ATOM 490 CB LYS A 31 -4.704 5.941 17.108 1.00 43.32 C ATOM 491 CG LYS A 31 -3.625 5.103 16.405 1.00 62.53 C ATOM 492 CD LYS A 31 -2.226 5.767 16.527 1.00 44.01 C ATOM 493 CE LYS A 31 -1.572 5.904 15.139 1.00 10.32 C ATOM 494 NZ LYS A 31 -0.771 4.681 14.850 1.00 12.43 N ATOM 0 H LYS A 31 -5.835 5.664 14.745 1.00 21.32 H new ATOM 0 HA LYS A 31 -5.834 7.753 16.797 1.00 0.23 H new ATOM 0 HB2 LYS A 31 -4.294 6.369 18.023 1.00 43.32 H new ATOM 0 HB3 LYS A 31 -5.533 5.296 17.401 1.00 43.32 H new ATOM 0 HG2 LYS A 31 -3.595 4.105 16.841 1.00 62.53 H new ATOM 0 HG3 LYS A 31 -3.883 4.983 15.353 1.00 62.53 H new ATOM 0 HD2 LYS A 31 -2.322 6.750 16.989 1.00 44.01 H new ATOM 0 HD3 LYS A 31 -1.589 5.169 17.179 1.00 44.01 H new ATOM 0 HE2 LYS A 31 -2.338 6.040 14.375 1.00 10.32 H new ATOM 0 HE3 LYS A 31 -0.933 6.787 15.111 1.00 10.32 H new ATOM 0 HZ1 LYS A 31 -0.328 4.770 13.913 1.00 12.43 H new ATOM 0 HZ2 LYS A 31 -0.032 4.571 15.574 1.00 12.43 H new ATOM 0 HZ3 LYS A 31 -1.393 3.848 14.861 1.00 12.43 H new ATOM 508 N MET A 32 -3.715 7.786 14.370 1.00 31.34 N ATOM 509 CA MET A 32 -2.598 8.598 13.851 1.00 70.41 C ATOM 510 C MET A 32 -3.043 10.016 13.520 1.00 62.31 C ATOM 511 O MET A 32 -4.210 10.376 13.665 1.00 70.22 O ATOM 512 CB MET A 32 -1.943 7.974 12.594 1.00 62.10 C ATOM 513 CG MET A 32 -2.998 7.437 11.614 1.00 13.23 C ATOM 514 SD MET A 32 -2.292 6.065 10.662 1.00 11.22 S ATOM 515 CE MET A 32 -2.348 4.817 11.971 1.00 23.44 C ATOM 0 H MET A 32 -4.154 7.159 13.696 1.00 31.34 H new ATOM 0 HA MET A 32 -1.858 8.624 14.651 1.00 70.41 H new ATOM 0 HB2 MET A 32 -1.328 8.722 12.094 1.00 62.10 H new ATOM 0 HB3 MET A 32 -1.278 7.164 12.894 1.00 62.10 H new ATOM 0 HG2 MET A 32 -3.879 7.100 12.160 1.00 13.23 H new ATOM 0 HG3 MET A 32 -3.324 8.231 10.942 1.00 13.23 H new ATOM 0 HE1 MET A 32 -1.336 4.484 12.200 1.00 23.44 H new ATOM 0 HE2 MET A 32 -2.800 5.247 12.865 1.00 23.44 H new ATOM 0 HE3 MET A 32 -2.942 3.966 11.638 1.00 23.44 H new ATOM 525 N LYS A 33 -2.076 10.807 13.062 1.00 42.12 N ATOM 526 CA LYS A 33 -2.310 12.196 12.679 1.00 30.03 C ATOM 527 C LYS A 33 -2.008 12.364 11.187 1.00 12.20 C ATOM 528 O LYS A 33 -1.594 11.410 10.528 1.00 73.25 O ATOM 529 CB LYS A 33 -1.409 13.119 13.503 1.00 20.23 C ATOM 530 CG LYS A 33 -1.956 13.226 14.929 1.00 61.45 C ATOM 531 CD LYS A 33 -0.978 14.025 15.792 1.00 71.34 C ATOM 532 CE LYS A 33 -1.589 14.255 17.175 1.00 23.54 C ATOM 533 NZ LYS A 33 -0.709 15.166 17.962 1.00 3.44 N ATOM 0 H LYS A 33 -1.109 10.503 12.946 1.00 42.12 H new ATOM 0 HA LYS A 33 -3.351 12.459 12.870 1.00 30.03 H new ATOM 0 HB2 LYS A 33 -0.391 12.730 13.521 1.00 20.23 H new ATOM 0 HB3 LYS A 33 -1.365 14.107 13.044 1.00 20.23 H new ATOM 0 HG2 LYS A 33 -2.931 13.713 14.920 1.00 61.45 H new ATOM 0 HG3 LYS A 33 -2.100 12.231 15.350 1.00 61.45 H new ATOM 0 HD2 LYS A 33 -0.035 13.487 15.884 1.00 71.34 H new ATOM 0 HD3 LYS A 33 -0.755 14.981 15.318 1.00 71.34 H new ATOM 0 HE2 LYS A 33 -2.584 14.688 17.077 1.00 23.54 H new ATOM 0 HE3 LYS A 33 -1.705 13.304 17.696 1.00 23.54 H new ATOM 0 HZ1 LYS A 33 -0.663 14.838 18.948 1.00 3.44 H new ATOM 0 HZ2 LYS A 33 0.247 15.165 17.552 1.00 3.44 H new ATOM 0 HZ3 LYS A 33 -1.096 16.131 17.936 1.00 3.44 H new ATOM 547 N MET A 34 -2.224 13.556 10.646 1.00 41.31 N ATOM 548 CA MET A 34 -2.002 13.800 9.234 1.00 33.10 C ATOM 549 C MET A 34 -0.621 13.312 8.794 1.00 63.21 C ATOM 550 O MET A 34 0.375 13.516 9.486 1.00 52.35 O ATOM 551 CB MET A 34 -2.058 15.319 9.040 1.00 34.15 C ATOM 552 CG MET A 34 -2.134 15.686 7.557 1.00 52.42 C ATOM 553 SD MET A 34 -3.269 17.088 7.337 1.00 55.42 S ATOM 554 CE MET A 34 -4.794 16.277 7.880 1.00 62.44 C ATOM 0 H MET A 34 -2.553 14.368 11.168 1.00 41.31 H new ATOM 0 HA MET A 34 -2.752 13.270 8.646 1.00 33.10 H new ATOM 0 HB2 MET A 34 -2.925 15.723 9.562 1.00 34.15 H new ATOM 0 HB3 MET A 34 -1.176 15.778 9.486 1.00 34.15 H new ATOM 0 HG2 MET A 34 -1.143 15.945 7.184 1.00 52.42 H new ATOM 0 HG3 MET A 34 -2.479 14.830 6.977 1.00 52.42 H new ATOM 0 HE1 MET A 34 -5.634 16.653 7.296 1.00 62.44 H new ATOM 0 HE2 MET A 34 -4.705 15.200 7.736 1.00 62.44 H new ATOM 0 HE3 MET A 34 -4.963 16.489 8.936 1.00 62.44 H new ATOM 564 N ALA A 35 -0.584 12.653 7.629 1.00 21.44 N ATOM 565 CA ALA A 35 0.658 12.116 7.080 1.00 44.20 C ATOM 566 C ALA A 35 1.001 12.833 5.779 1.00 64.15 C ATOM 567 O ALA A 35 0.158 13.522 5.202 1.00 44.52 O ATOM 568 CB ALA A 35 0.504 10.612 6.830 1.00 54.02 C ATOM 0 H ALA A 35 -1.406 12.481 7.050 1.00 21.44 H new ATOM 0 HA ALA A 35 1.467 12.276 7.793 1.00 44.20 H new ATOM 0 HB1 ALA A 35 1.432 10.214 6.420 1.00 54.02 H new ATOM 0 HB2 ALA A 35 0.277 10.108 7.770 1.00 54.02 H new ATOM 0 HB3 ALA A 35 -0.307 10.442 6.122 1.00 54.02 H new ATOM 574 N MET A 36 2.244 12.680 5.324 1.00 5.10 N ATOM 575 CA MET A 36 2.686 13.336 4.092 1.00 73.22 C ATOM 576 C MET A 36 3.400 12.343 3.184 1.00 60.32 C ATOM 577 O MET A 36 3.771 11.247 3.603 1.00 53.43 O ATOM 578 CB MET A 36 3.630 14.520 4.402 1.00 61.43 C ATOM 579 CG MET A 36 3.792 14.697 5.913 1.00 31.25 C ATOM 580 SD MET A 36 2.255 15.350 6.608 1.00 13.52 S ATOM 581 CE MET A 36 3.009 16.306 7.942 1.00 33.51 C ATOM 0 H MET A 36 2.957 12.114 5.784 1.00 5.10 H new ATOM 0 HA MET A 36 1.800 13.717 3.584 1.00 73.22 H new ATOM 0 HB2 MET A 36 4.604 14.346 3.944 1.00 61.43 H new ATOM 0 HB3 MET A 36 3.231 15.435 3.964 1.00 61.43 H new ATOM 0 HG2 MET A 36 4.038 13.742 6.378 1.00 31.25 H new ATOM 0 HG3 MET A 36 4.618 15.377 6.124 1.00 31.25 H new ATOM 0 HE1 MET A 36 2.234 16.645 8.630 1.00 33.51 H new ATOM 0 HE2 MET A 36 3.723 15.681 8.479 1.00 33.51 H new ATOM 0 HE3 MET A 36 3.526 17.170 7.524 1.00 33.51 H new ATOM 591 N ALA A 37 3.583 12.748 1.935 1.00 51.34 N ATOM 592 CA ALA A 37 4.250 11.904 0.954 1.00 13.33 C ATOM 593 C ALA A 37 4.855 12.746 -0.161 1.00 20.11 C ATOM 594 O ALA A 37 4.471 13.894 -0.359 1.00 53.12 O ATOM 595 CB ALA A 37 3.247 10.914 0.361 1.00 24.41 C ATOM 0 H ALA A 37 3.280 13.654 1.578 1.00 51.34 H new ATOM 0 HA ALA A 37 5.052 11.361 1.454 1.00 13.33 H new ATOM 0 HB1 ALA A 37 3.749 10.283 -0.373 1.00 24.41 H new ATOM 0 HB2 ALA A 37 2.838 10.290 1.156 1.00 24.41 H new ATOM 0 HB3 ALA A 37 2.438 11.461 -0.123 1.00 24.41 H new ATOM 601 N ARG A 38 5.806 12.170 -0.888 1.00 10.24 N ATOM 602 CA ARG A 38 6.454 12.886 -1.992 1.00 73.45 C ATOM 603 C ARG A 38 6.615 11.949 -3.181 1.00 34.33 C ATOM 604 O ARG A 38 7.019 10.801 -3.017 1.00 62.01 O ATOM 605 CB ARG A 38 7.812 13.469 -1.531 1.00 70.14 C ATOM 606 CG ARG A 38 8.986 12.544 -1.907 1.00 11.32 C ATOM 607 CD ARG A 38 9.346 12.689 -3.400 1.00 44.30 C ATOM 608 NE ARG A 38 10.717 13.171 -3.538 1.00 70.55 N ATOM 609 CZ ARG A 38 11.001 14.470 -3.506 1.00 72.44 C ATOM 610 NH1 ARG A 38 10.043 15.343 -3.354 1.00 51.41 N ATOM 611 NH2 ARG A 38 12.237 14.871 -3.628 1.00 42.02 N ATOM 0 H ARG A 38 6.146 11.220 -0.739 1.00 10.24 H new ATOM 0 HA ARG A 38 5.830 13.724 -2.303 1.00 73.45 H new ATOM 0 HB2 ARG A 38 7.961 14.449 -1.985 1.00 70.14 H new ATOM 0 HB3 ARG A 38 7.797 13.617 -0.451 1.00 70.14 H new ATOM 0 HG2 ARG A 38 9.855 12.785 -1.294 1.00 11.32 H new ATOM 0 HG3 ARG A 38 8.722 11.509 -1.692 1.00 11.32 H new ATOM 0 HD2 ARG A 38 9.237 11.729 -3.904 1.00 44.30 H new ATOM 0 HD3 ARG A 38 8.658 13.382 -3.883 1.00 44.30 H new ATOM 0 HE ARG A 38 11.473 12.498 -3.662 1.00 70.55 H new ATOM 0 HH11 ARG A 38 9.077 15.029 -3.260 1.00 51.41 H new ATOM 0 HH12 ARG A 38 10.260 16.339 -3.329 1.00 51.41 H new ATOM 0 HH21 ARG A 38 12.985 14.188 -3.748 1.00 42.02 H new ATOM 0 HH22 ARG A 38 12.455 15.867 -3.603 1.00 42.02 H new ATOM 625 N ILE A 39 6.259 12.419 -4.374 1.00 25.42 N ATOM 626 CA ILE A 39 6.321 11.617 -5.588 1.00 20.44 C ATOM 627 C ILE A 39 7.247 12.289 -6.594 1.00 41.22 C ATOM 628 O ILE A 39 7.289 13.518 -6.671 1.00 34.24 O ATOM 629 CB ILE A 39 4.918 11.545 -6.134 1.00 51.52 C ATOM 630 CG1 ILE A 39 4.759 10.542 -7.274 1.00 72.33 C ATOM 631 CG2 ILE A 39 4.527 12.893 -6.636 1.00 52.40 C ATOM 632 CD1 ILE A 39 3.294 10.082 -7.284 1.00 61.20 C ATOM 0 H ILE A 39 5.919 13.369 -4.524 1.00 25.42 H new ATOM 0 HA ILE A 39 6.708 10.618 -5.388 1.00 20.44 H new ATOM 0 HB ILE A 39 4.279 11.211 -5.317 1.00 51.52 H new ATOM 0 HG12 ILE A 39 5.023 11.000 -8.227 1.00 72.33 H new ATOM 0 HG13 ILE A 39 5.427 9.692 -7.133 1.00 72.33 H new ATOM 0 HG21 ILE A 39 3.513 12.853 -7.034 1.00 52.40 H new ATOM 0 HG22 ILE A 39 4.568 13.612 -5.818 1.00 52.40 H new ATOM 0 HG23 ILE A 39 5.214 13.201 -7.424 1.00 52.40 H new ATOM 0 HD11 ILE A 39 3.144 9.362 -8.089 1.00 61.20 H new ATOM 0 HD12 ILE A 39 3.053 9.614 -6.329 1.00 61.20 H new ATOM 0 HD13 ILE A 39 2.644 10.942 -7.441 1.00 61.20 H new ATOM 644 N SER A 40 7.979 11.512 -7.363 1.00 55.20 N ATOM 645 CA SER A 40 8.874 12.097 -8.349 1.00 63.41 C ATOM 646 C SER A 40 9.107 11.123 -9.494 1.00 50.51 C ATOM 647 O SER A 40 8.820 9.932 -9.373 1.00 24.20 O ATOM 648 CB SER A 40 10.181 12.493 -7.691 1.00 72.31 C ATOM 649 OG SER A 40 9.907 13.250 -6.520 1.00 21.15 O ATOM 0 H SER A 40 7.977 10.493 -7.330 1.00 55.20 H new ATOM 0 HA SER A 40 8.414 12.995 -8.762 1.00 63.41 H new ATOM 0 HB2 SER A 40 10.757 11.604 -7.436 1.00 72.31 H new ATOM 0 HB3 SER A 40 10.787 13.078 -8.383 1.00 72.31 H new ATOM 0 HG SER A 40 9.050 13.715 -6.624 1.00 21.15 H new ATOM 655 N PHE A 41 9.588 11.637 -10.624 1.00 13.21 N ATOM 656 CA PHE A 41 9.801 10.794 -11.796 1.00 73.23 C ATOM 657 C PHE A 41 11.251 10.351 -11.967 1.00 22.01 C ATOM 658 O PHE A 41 12.017 10.974 -12.703 1.00 31.42 O ATOM 659 CB PHE A 41 9.359 11.547 -13.049 1.00 43.55 C ATOM 660 CG PHE A 41 7.863 11.752 -13.010 1.00 32.33 C ATOM 661 CD1 PHE A 41 7.311 12.715 -12.156 1.00 3.33 C ATOM 662 CD2 PHE A 41 7.028 10.978 -13.826 1.00 22.43 C ATOM 663 CE1 PHE A 41 5.925 12.905 -12.118 1.00 21.03 C ATOM 664 CE2 PHE A 41 5.641 11.168 -13.787 1.00 14.24 C ATOM 665 CZ PHE A 41 5.090 12.131 -12.933 1.00 11.12 C ATOM 0 H PHE A 41 9.834 12.619 -10.752 1.00 13.21 H new ATOM 0 HA PHE A 41 9.206 9.893 -11.647 1.00 73.23 H new ATOM 0 HB2 PHE A 41 9.868 12.509 -13.107 1.00 43.55 H new ATOM 0 HB3 PHE A 41 9.637 10.986 -13.941 1.00 43.55 H new ATOM 0 HD1 PHE A 41 7.955 13.311 -11.527 1.00 3.33 H new ATOM 0 HD2 PHE A 41 7.453 10.235 -14.485 1.00 22.43 H new ATOM 0 HE1 PHE A 41 5.500 13.648 -11.460 1.00 21.03 H new ATOM 0 HE2 PHE A 41 4.996 10.572 -14.416 1.00 14.24 H new ATOM 0 HZ PHE A 41 4.020 12.277 -12.903 1.00 11.12 H new ATOM 675 N LEU A 42 11.602 9.239 -11.330 1.00 72.14 N ATOM 676 CA LEU A 42 12.947 8.693 -11.480 1.00 3.31 C ATOM 677 C LEU A 42 13.173 8.456 -12.964 1.00 2.14 C ATOM 678 O LEU A 42 14.255 8.686 -13.505 1.00 13.22 O ATOM 679 CB LEU A 42 13.079 7.354 -10.745 1.00 63.03 C ATOM 680 CG LEU A 42 13.100 7.561 -9.223 1.00 43.54 C ATOM 681 CD1 LEU A 42 12.675 6.257 -8.528 1.00 20.50 C ATOM 682 CD2 LEU A 42 14.515 7.945 -8.766 1.00 1.35 C ATOM 0 H LEU A 42 10.987 8.706 -10.715 1.00 72.14 H new ATOM 0 HA LEU A 42 13.675 9.388 -11.062 1.00 3.31 H new ATOM 0 HB2 LEU A 42 12.248 6.703 -11.016 1.00 63.03 H new ATOM 0 HB3 LEU A 42 13.993 6.851 -11.060 1.00 63.03 H new ATOM 0 HG LEU A 42 12.410 8.362 -8.959 1.00 43.54 H new ATOM 0 HD11 LEU A 42 12.689 6.399 -7.447 1.00 20.50 H new ATOM 0 HD12 LEU A 42 11.668 5.987 -8.846 1.00 20.50 H new ATOM 0 HD13 LEU A 42 13.367 5.459 -8.797 1.00 20.50 H new ATOM 0 HD21 LEU A 42 14.522 8.090 -7.686 1.00 1.35 H new ATOM 0 HD22 LEU A 42 15.211 7.149 -9.029 1.00 1.35 H new ATOM 0 HD23 LEU A 42 14.818 8.869 -9.258 1.00 1.35 H new ATOM 694 N GLY A 43 12.102 8.000 -13.597 1.00 24.41 N ATOM 695 CA GLY A 43 12.078 7.715 -15.023 1.00 32.34 C ATOM 696 C GLY A 43 10.634 7.487 -15.454 1.00 5.31 C ATOM 697 O GLY A 43 9.772 7.217 -14.617 1.00 55.24 O ATOM 0 H GLY A 43 11.215 7.816 -13.129 1.00 24.41 H new ATOM 0 HA2 GLY A 43 12.512 8.545 -15.581 1.00 32.34 H new ATOM 0 HA3 GLY A 43 12.681 6.834 -15.242 1.00 32.34 H new ATOM 701 N GLU A 44 10.357 7.601 -16.745 1.00 61.02 N ATOM 702 CA GLU A 44 8.994 7.404 -17.227 1.00 43.32 C ATOM 703 C GLU A 44 8.428 6.093 -16.695 1.00 4.12 C ATOM 704 O GLU A 44 7.229 5.984 -16.438 1.00 13.41 O ATOM 705 CB GLU A 44 8.969 7.395 -18.757 1.00 42.22 C ATOM 706 CG GLU A 44 9.450 8.749 -19.284 1.00 2.53 C ATOM 707 CD GLU A 44 8.452 9.839 -18.910 1.00 3.44 C ATOM 708 OE1 GLU A 44 7.336 9.497 -18.554 1.00 73.24 O ATOM 709 OE2 GLU A 44 8.818 11.001 -18.984 1.00 22.15 O ATOM 0 H GLU A 44 11.042 7.824 -17.467 1.00 61.02 H new ATOM 0 HA GLU A 44 8.378 8.228 -16.866 1.00 43.32 H new ATOM 0 HB2 GLU A 44 9.607 6.597 -19.137 1.00 42.22 H new ATOM 0 HB3 GLU A 44 7.959 7.192 -19.114 1.00 42.22 H new ATOM 0 HG2 GLU A 44 10.430 8.983 -18.868 1.00 2.53 H new ATOM 0 HG3 GLU A 44 9.566 8.707 -20.367 1.00 2.53 H new ATOM 716 N ASP A 45 9.299 5.102 -16.519 1.00 41.50 N ATOM 717 CA ASP A 45 8.879 3.801 -16.002 1.00 21.20 C ATOM 718 C ASP A 45 9.404 3.607 -14.584 1.00 63.11 C ATOM 719 O ASP A 45 9.460 2.486 -14.079 1.00 64.22 O ATOM 720 CB ASP A 45 9.398 2.678 -16.909 1.00 33.33 C ATOM 721 CG ASP A 45 10.720 3.089 -17.548 1.00 41.45 C ATOM 722 OD1 ASP A 45 10.747 4.121 -18.198 1.00 62.25 O ATOM 723 OD2 ASP A 45 11.688 2.364 -17.379 1.00 71.02 O ATOM 0 H ASP A 45 10.295 5.174 -16.725 1.00 41.50 H new ATOM 0 HA ASP A 45 7.790 3.766 -15.985 1.00 21.20 H new ATOM 0 HB2 ASP A 45 9.534 1.765 -16.329 1.00 33.33 H new ATOM 0 HB3 ASP A 45 8.664 2.457 -17.684 1.00 33.33 H new ATOM 728 N GLU A 46 9.783 4.710 -13.945 1.00 61.05 N ATOM 729 CA GLU A 46 10.300 4.654 -12.582 1.00 11.53 C ATOM 730 C GLU A 46 9.898 5.900 -11.802 1.00 61.35 C ATOM 731 O GLU A 46 10.283 7.013 -12.152 1.00 31.14 O ATOM 732 CB GLU A 46 11.826 4.543 -12.613 1.00 1.23 C ATOM 733 CG GLU A 46 12.237 3.405 -13.550 1.00 54.41 C ATOM 734 CD GLU A 46 13.732 3.137 -13.420 1.00 4.10 C ATOM 735 OE1 GLU A 46 14.417 3.973 -12.850 1.00 35.14 O ATOM 736 OE2 GLU A 46 14.172 2.101 -13.890 1.00 24.22 O ATOM 0 H GLU A 46 9.742 5.647 -14.346 1.00 61.05 H new ATOM 0 HA GLU A 46 9.877 3.779 -12.088 1.00 11.53 H new ATOM 0 HB2 GLU A 46 12.263 5.483 -12.952 1.00 1.23 H new ATOM 0 HB3 GLU A 46 12.208 4.358 -11.609 1.00 1.23 H new ATOM 0 HG2 GLU A 46 11.675 2.503 -13.308 1.00 54.41 H new ATOM 0 HG3 GLU A 46 11.994 3.665 -14.580 1.00 54.41 H new ATOM 743 N LEU A 47 9.123 5.701 -10.737 1.00 71.31 N ATOM 744 CA LEU A 47 8.671 6.810 -9.896 1.00 10.13 C ATOM 745 C LEU A 47 8.980 6.511 -8.435 1.00 4.12 C ATOM 746 O LEU A 47 8.858 5.371 -7.990 1.00 72.11 O ATOM 747 CB LEU A 47 7.158 7.023 -10.035 1.00 22.32 C ATOM 748 CG LEU A 47 6.718 6.906 -11.495 1.00 12.11 C ATOM 749 CD1 LEU A 47 5.195 6.881 -11.541 1.00 62.32 C ATOM 750 CD2 LEU A 47 7.218 8.111 -12.299 1.00 41.54 C ATOM 0 H LEU A 47 8.795 4.783 -10.436 1.00 71.31 H new ATOM 0 HA LEU A 47 9.194 7.709 -10.220 1.00 10.13 H new ATOM 0 HB2 LEU A 47 6.627 6.287 -9.432 1.00 22.32 H new ATOM 0 HB3 LEU A 47 6.889 8.006 -9.648 1.00 22.32 H new ATOM 0 HG LEU A 47 7.133 5.995 -11.925 1.00 12.11 H new ATOM 0 HD11 LEU A 47 4.864 6.798 -12.576 1.00 62.32 H new ATOM 0 HD12 LEU A 47 4.828 6.026 -10.973 1.00 62.32 H new ATOM 0 HD13 LEU A 47 4.803 7.801 -11.107 1.00 62.32 H new ATOM 0 HD21 LEU A 47 6.898 8.015 -13.336 1.00 41.54 H new ATOM 0 HD22 LEU A 47 6.806 9.027 -11.876 1.00 41.54 H new ATOM 0 HD23 LEU A 47 8.307 8.150 -12.258 1.00 41.54 H new ATOM 762 N LYS A 48 9.370 7.537 -7.689 1.00 22.02 N ATOM 763 CA LYS A 48 9.683 7.366 -6.272 1.00 31.55 C ATOM 764 C LYS A 48 8.581 7.973 -5.412 1.00 12.40 C ATOM 765 O LYS A 48 8.357 9.178 -5.461 1.00 65.42 O ATOM 766 CB LYS A 48 11.014 8.060 -5.955 1.00 74.40 C ATOM 767 CG LYS A 48 11.617 7.489 -4.667 1.00 43.45 C ATOM 768 CD LYS A 48 13.047 8.013 -4.498 1.00 31.23 C ATOM 769 CE LYS A 48 13.024 9.530 -4.293 1.00 60.11 C ATOM 770 NZ LYS A 48 14.301 9.963 -3.656 1.00 23.24 N ATOM 0 H LYS A 48 9.477 8.490 -8.036 1.00 22.02 H new ATOM 0 HA LYS A 48 9.760 6.301 -6.053 1.00 31.55 H new ATOM 0 HB2 LYS A 48 11.710 7.923 -6.783 1.00 74.40 H new ATOM 0 HB3 LYS A 48 10.856 9.133 -5.846 1.00 74.40 H new ATOM 0 HG2 LYS A 48 11.009 7.776 -3.809 1.00 43.45 H new ATOM 0 HG3 LYS A 48 11.619 6.400 -4.705 1.00 43.45 H new ATOM 0 HD2 LYS A 48 13.523 7.529 -3.645 1.00 31.23 H new ATOM 0 HD3 LYS A 48 13.641 7.765 -5.378 1.00 31.23 H new ATOM 0 HE2 LYS A 48 12.892 10.035 -5.250 1.00 60.11 H new ATOM 0 HE3 LYS A 48 12.178 9.810 -3.665 1.00 60.11 H new ATOM 0 HZ1 LYS A 48 14.494 10.955 -3.904 1.00 23.24 H new ATOM 0 HZ2 LYS A 48 14.221 9.873 -2.623 1.00 23.24 H new ATOM 0 HZ3 LYS A 48 15.080 9.363 -3.997 1.00 23.24 H new ATOM 784 N VAL A 49 7.913 7.141 -4.603 1.00 14.01 N ATOM 785 CA VAL A 49 6.856 7.636 -3.715 1.00 20.43 C ATOM 786 C VAL A 49 7.250 7.384 -2.272 1.00 3.24 C ATOM 787 O VAL A 49 7.834 6.355 -1.932 1.00 52.54 O ATOM 788 CB VAL A 49 5.485 7.009 -4.073 1.00 44.02 C ATOM 789 CG1 VAL A 49 4.624 6.752 -2.837 1.00 75.03 C ATOM 790 CG2 VAL A 49 4.713 7.979 -4.960 1.00 0.14 C ATOM 0 H VAL A 49 8.083 6.137 -4.545 1.00 14.01 H new ATOM 0 HA VAL A 49 6.743 8.712 -3.851 1.00 20.43 H new ATOM 0 HB VAL A 49 5.686 6.060 -4.571 1.00 44.02 H new ATOM 0 HG11 VAL A 49 3.674 6.312 -3.140 1.00 75.03 H new ATOM 0 HG12 VAL A 49 5.144 6.066 -2.168 1.00 75.03 H new ATOM 0 HG13 VAL A 49 4.439 7.694 -2.320 1.00 75.03 H new ATOM 0 HG21 VAL A 49 3.746 7.546 -5.217 1.00 0.14 H new ATOM 0 HG22 VAL A 49 4.560 8.917 -4.426 1.00 0.14 H new ATOM 0 HG23 VAL A 49 5.280 8.168 -5.872 1.00 0.14 H new ATOM 800 N SER A 50 6.987 8.384 -1.451 1.00 72.14 N ATOM 801 CA SER A 50 7.370 8.354 -0.049 1.00 75.02 C ATOM 802 C SER A 50 6.185 8.523 0.885 1.00 4.34 C ATOM 803 O SER A 50 5.226 9.220 0.558 1.00 74.01 O ATOM 804 CB SER A 50 8.316 9.516 0.168 1.00 34.44 C ATOM 805 OG SER A 50 8.937 9.403 1.441 1.00 73.43 O ATOM 0 H SER A 50 6.504 9.237 -1.734 1.00 72.14 H new ATOM 0 HA SER A 50 7.821 7.387 0.173 1.00 75.02 H new ATOM 0 HB2 SER A 50 9.073 9.531 -0.616 1.00 34.44 H new ATOM 0 HB3 SER A 50 7.771 10.457 0.102 1.00 34.44 H new ATOM 0 HG SER A 50 8.824 8.491 1.780 1.00 73.43 H new ATOM 811 N TYR A 51 6.279 7.909 2.069 1.00 10.20 N ATOM 812 CA TYR A 51 5.225 8.026 3.073 1.00 41.44 C ATOM 813 C TYR A 51 5.805 8.536 4.390 1.00 60.13 C ATOM 814 O TYR A 51 6.810 8.017 4.876 1.00 44.53 O ATOM 815 CB TYR A 51 4.573 6.666 3.361 1.00 53.10 C ATOM 816 CG TYR A 51 4.381 5.873 2.096 1.00 1.24 C ATOM 817 CD1 TYR A 51 3.740 6.448 1.001 1.00 1.03 C ATOM 818 CD2 TYR A 51 4.820 4.543 2.032 1.00 14.40 C ATOM 819 CE1 TYR A 51 3.534 5.698 -0.158 1.00 5.12 C ATOM 820 CE2 TYR A 51 4.621 3.796 0.868 1.00 23.14 C ATOM 821 CZ TYR A 51 3.976 4.374 -0.227 1.00 5.10 C ATOM 822 OH TYR A 51 3.768 3.637 -1.374 1.00 41.31 O ATOM 0 H TYR A 51 7.070 7.330 2.351 1.00 10.20 H new ATOM 0 HA TYR A 51 4.483 8.718 2.676 1.00 41.44 H new ATOM 0 HB2 TYR A 51 5.195 6.102 4.056 1.00 53.10 H new ATOM 0 HB3 TYR A 51 3.609 6.818 3.847 1.00 53.10 H new ATOM 0 HD1 TYR A 51 3.403 7.473 1.049 1.00 1.03 H new ATOM 0 HD2 TYR A 51 5.312 4.096 2.883 1.00 14.40 H new ATOM 0 HE1 TYR A 51 3.031 6.142 -1.004 1.00 5.12 H new ATOM 0 HE2 TYR A 51 4.965 2.774 0.816 1.00 23.14 H new ATOM 0 HH TYR A 51 4.319 3.999 -2.100 1.00 41.31 H new ATOM 832 N ALA A 52 5.144 9.520 4.980 1.00 1.20 N ATOM 833 CA ALA A 52 5.570 10.066 6.267 1.00 61.54 C ATOM 834 C ALA A 52 4.408 9.945 7.239 1.00 33.01 C ATOM 835 O ALA A 52 3.394 10.626 7.080 1.00 4.12 O ATOM 836 CB ALA A 52 5.974 11.534 6.112 1.00 64.52 C ATOM 0 H ALA A 52 4.310 9.959 4.591 1.00 1.20 H new ATOM 0 HA ALA A 52 6.433 9.515 6.640 1.00 61.54 H new ATOM 0 HB1 ALA A 52 6.289 11.929 7.078 1.00 64.52 H new ATOM 0 HB2 ALA A 52 6.797 11.612 5.402 1.00 64.52 H new ATOM 0 HB3 ALA A 52 5.123 12.109 5.745 1.00 64.52 H new ATOM 842 N VAL A 53 4.531 9.057 8.230 1.00 1.11 N ATOM 843 CA VAL A 53 3.448 8.847 9.187 1.00 2.13 C ATOM 844 C VAL A 53 3.844 9.327 10.590 1.00 53.41 C ATOM 845 O VAL A 53 4.905 8.954 11.104 1.00 65.45 O ATOM 846 CB VAL A 53 3.111 7.353 9.243 1.00 3.43 C ATOM 847 CG1 VAL A 53 1.712 7.160 9.832 1.00 41.12 C ATOM 848 CG2 VAL A 53 3.153 6.770 7.828 1.00 53.35 C ATOM 0 H VAL A 53 5.358 8.481 8.387 1.00 1.11 H new ATOM 0 HA VAL A 53 2.582 9.422 8.859 1.00 2.13 H new ATOM 0 HB VAL A 53 3.840 6.842 9.872 1.00 3.43 H new ATOM 0 HG11 VAL A 53 1.477 6.096 9.870 1.00 41.12 H new ATOM 0 HG12 VAL A 53 1.681 7.575 10.840 1.00 41.12 H new ATOM 0 HG13 VAL A 53 0.980 7.671 9.207 1.00 41.12 H new ATOM 0 HG21 VAL A 53 2.914 5.707 7.865 1.00 53.35 H new ATOM 0 HG22 VAL A 53 2.425 7.284 7.201 1.00 53.35 H new ATOM 0 HG23 VAL A 53 4.151 6.903 7.409 1.00 53.35 H new ATOM 858 N PRO A 54 3.015 10.129 11.226 1.00 24.31 N ATOM 859 CA PRO A 54 3.294 10.638 12.598 1.00 4.44 C ATOM 860 C PRO A 54 2.977 9.593 13.660 1.00 44.22 C ATOM 861 O PRO A 54 2.290 8.607 13.390 1.00 43.31 O ATOM 862 CB PRO A 54 2.360 11.841 12.718 1.00 70.12 C ATOM 863 CG PRO A 54 1.179 11.473 11.886 1.00 63.40 C ATOM 864 CD PRO A 54 1.726 10.646 10.720 1.00 21.22 C ATOM 0 HA PRO A 54 4.344 10.889 12.749 1.00 4.44 H new ATOM 0 HB2 PRO A 54 2.076 12.022 13.755 1.00 70.12 H new ATOM 0 HB3 PRO A 54 2.835 12.752 12.354 1.00 70.12 H new ATOM 0 HG2 PRO A 54 0.456 10.899 12.466 1.00 63.40 H new ATOM 0 HG3 PRO A 54 0.663 12.363 11.525 1.00 63.40 H new ATOM 0 HD2 PRO A 54 1.048 9.836 10.452 1.00 21.22 H new ATOM 0 HD3 PRO A 54 1.863 11.256 9.827 1.00 21.22 H new ATOM 872 N LYS A 55 3.477 9.817 14.863 1.00 32.12 N ATOM 873 CA LYS A 55 3.241 8.893 15.960 1.00 22.13 C ATOM 874 C LYS A 55 3.528 9.573 17.295 1.00 34.53 C ATOM 875 O LYS A 55 4.641 9.493 17.795 1.00 63.23 O ATOM 876 CB LYS A 55 4.147 7.668 15.806 1.00 52.02 C ATOM 877 CG LYS A 55 3.985 6.748 17.024 1.00 33.05 C ATOM 878 CD LYS A 55 4.450 5.324 16.676 1.00 65.33 C ATOM 879 CE LYS A 55 3.291 4.530 16.064 1.00 43.42 C ATOM 880 NZ LYS A 55 2.368 4.086 17.147 1.00 50.10 N ATOM 0 H LYS A 55 4.047 10.628 15.105 1.00 32.12 H new ATOM 0 HA LYS A 55 2.197 8.581 15.938 1.00 22.13 H new ATOM 0 HB2 LYS A 55 3.893 7.128 14.894 1.00 52.02 H new ATOM 0 HB3 LYS A 55 5.186 7.982 15.711 1.00 52.02 H new ATOM 0 HG2 LYS A 55 4.566 7.134 17.861 1.00 33.05 H new ATOM 0 HG3 LYS A 55 2.942 6.731 17.341 1.00 33.05 H new ATOM 0 HD2 LYS A 55 5.283 5.366 15.975 1.00 65.33 H new ATOM 0 HD3 LYS A 55 4.813 4.821 17.573 1.00 65.33 H new ATOM 0 HE2 LYS A 55 2.754 5.147 15.343 1.00 43.42 H new ATOM 0 HE3 LYS A 55 3.674 3.666 15.521 1.00 43.42 H new ATOM 0 HZ1 LYS A 55 1.734 3.347 16.781 1.00 50.10 H new ATOM 0 HZ2 LYS A 55 2.922 3.705 17.941 1.00 50.10 H new ATOM 0 HZ3 LYS A 55 1.804 4.895 17.476 1.00 50.10 H new ATOM 894 N PRO A 56 2.566 10.243 17.880 1.00 52.11 N ATOM 895 CA PRO A 56 2.764 10.940 19.182 1.00 72.53 C ATOM 896 C PRO A 56 3.669 10.156 20.136 1.00 42.15 C ATOM 897 O PRO A 56 4.249 10.723 21.062 1.00 61.53 O ATOM 898 CB PRO A 56 1.340 11.057 19.722 1.00 62.43 C ATOM 899 CG PRO A 56 0.483 11.197 18.502 1.00 42.35 C ATOM 900 CD PRO A 56 1.189 10.423 17.379 1.00 12.24 C ATOM 0 HA PRO A 56 3.268 11.900 19.073 1.00 72.53 H new ATOM 0 HB2 PRO A 56 1.063 10.177 20.302 1.00 62.43 H new ATOM 0 HB3 PRO A 56 1.236 11.919 20.381 1.00 62.43 H new ATOM 0 HG2 PRO A 56 -0.515 10.796 18.681 1.00 42.35 H new ATOM 0 HG3 PRO A 56 0.361 12.246 18.232 1.00 42.35 H new ATOM 0 HD2 PRO A 56 0.705 9.465 17.189 1.00 12.24 H new ATOM 0 HD3 PRO A 56 1.175 10.979 16.441 1.00 12.24 H new ATOM 908 N ASN A 57 3.793 8.850 19.897 1.00 21.20 N ATOM 909 CA ASN A 57 4.638 7.992 20.733 1.00 5.00 C ATOM 910 C ASN A 57 5.943 7.653 20.009 1.00 71.00 C ATOM 911 O ASN A 57 6.578 6.639 20.297 1.00 41.55 O ATOM 912 CB ASN A 57 3.893 6.699 21.071 1.00 61.55 C ATOM 913 CG ASN A 57 2.624 7.018 21.854 1.00 51.04 C ATOM 914 OD1 ASN A 57 1.574 6.426 21.603 1.00 74.33 O ATOM 915 ND2 ASN A 57 2.658 7.924 22.793 1.00 63.44 N ATOM 0 H ASN A 57 3.322 8.363 19.135 1.00 21.20 H new ATOM 0 HA ASN A 57 4.873 8.530 21.652 1.00 5.00 H new ATOM 0 HB2 ASN A 57 3.640 6.165 20.155 1.00 61.55 H new ATOM 0 HB3 ASN A 57 4.536 6.042 21.656 1.00 61.55 H new ATOM 0 HD21 ASN A 57 1.813 8.143 23.321 1.00 63.44 H new ATOM 0 HD22 ASN A 57 3.529 8.413 22.999 1.00 63.44 H new ATOM 922 N GLY A 58 6.328 8.505 19.061 1.00 21.40 N ATOM 923 CA GLY A 58 7.549 8.292 18.288 1.00 65.22 C ATOM 924 C GLY A 58 7.430 8.922 16.901 1.00 22.03 C ATOM 925 O GLY A 58 6.594 9.796 16.676 1.00 54.50 O ATOM 0 H GLY A 58 5.812 9.349 18.810 1.00 21.40 H new ATOM 0 HA2 GLY A 58 8.399 8.723 18.816 1.00 65.22 H new ATOM 0 HA3 GLY A 58 7.742 7.224 18.192 1.00 65.22 H new ATOM 929 N CYS A 59 8.272 8.481 15.971 1.00 54.34 N ATOM 930 CA CYS A 59 8.246 9.015 14.608 1.00 51.21 C ATOM 931 C CYS A 59 8.558 7.916 13.596 1.00 31.45 C ATOM 932 O CYS A 59 9.519 7.166 13.770 1.00 44.11 O ATOM 933 CB CYS A 59 9.274 10.139 14.475 1.00 1.22 C ATOM 934 SG CYS A 59 8.942 11.085 12.969 1.00 70.24 S ATOM 0 H CYS A 59 8.976 7.761 16.132 1.00 54.34 H new ATOM 0 HA CYS A 59 7.248 9.405 14.406 1.00 51.21 H new ATOM 0 HB2 CYS A 59 9.228 10.793 15.346 1.00 1.22 H new ATOM 0 HB3 CYS A 59 10.281 9.723 14.441 1.00 1.22 H new ATOM 939 N ARG A 60 7.753 7.822 12.531 1.00 40.34 N ATOM 940 CA ARG A 60 7.985 6.803 11.503 1.00 42.44 C ATOM 941 C ARG A 60 8.011 7.430 10.112 1.00 63.14 C ATOM 942 O ARG A 60 6.988 7.893 9.609 1.00 64.13 O ATOM 943 CB ARG A 60 6.882 5.744 11.564 1.00 33.31 C ATOM 944 CG ARG A 60 7.004 4.953 12.867 1.00 55.20 C ATOM 945 CD ARG A 60 6.034 3.771 12.839 1.00 43.01 C ATOM 946 NE ARG A 60 6.000 3.114 14.140 1.00 23.22 N ATOM 947 CZ ARG A 60 7.019 2.372 14.562 1.00 44.41 C ATOM 948 NH1 ARG A 60 8.073 2.222 13.809 1.00 33.41 N ATOM 949 NH2 ARG A 60 6.964 1.792 15.730 1.00 34.22 N ATOM 0 H ARG A 60 6.950 8.427 12.361 1.00 40.34 H new ATOM 0 HA ARG A 60 8.952 6.338 11.694 1.00 42.44 H new ATOM 0 HB2 ARG A 60 5.903 6.220 11.506 1.00 33.31 H new ATOM 0 HB3 ARG A 60 6.961 5.072 10.710 1.00 33.31 H new ATOM 0 HG2 ARG A 60 8.026 4.596 12.994 1.00 55.20 H new ATOM 0 HG3 ARG A 60 6.784 5.598 13.718 1.00 55.20 H new ATOM 0 HD2 ARG A 60 5.035 4.117 12.573 1.00 43.01 H new ATOM 0 HD3 ARG A 60 6.339 3.059 12.072 1.00 43.01 H new ATOM 0 HE ARG A 60 5.180 3.226 14.737 1.00 23.22 H new ATOM 0 HH11 ARG A 60 8.116 2.674 12.896 1.00 33.41 H new ATOM 0 HH12 ARG A 60 8.855 1.653 14.133 1.00 33.41 H new ATOM 0 HH21 ARG A 60 6.139 1.908 16.319 1.00 34.22 H new ATOM 0 HH22 ARG A 60 7.746 1.223 16.054 1.00 34.22 H new ATOM 963 N LYS A 61 9.192 7.428 9.494 1.00 74.25 N ATOM 964 CA LYS A 61 9.358 7.986 8.152 1.00 1.21 C ATOM 965 C LYS A 61 10.199 7.052 7.286 1.00 72.44 C ATOM 966 O LYS A 61 11.259 6.589 7.709 1.00 43.24 O ATOM 967 CB LYS A 61 10.033 9.358 8.235 1.00 73.32 C ATOM 968 CG LYS A 61 11.345 9.241 9.012 1.00 34.44 C ATOM 969 CD LYS A 61 11.903 10.640 9.284 1.00 35.33 C ATOM 970 CE LYS A 61 13.253 10.524 9.992 1.00 45.45 C ATOM 971 NZ LYS A 61 13.915 11.859 10.020 1.00 23.33 N ATOM 0 H LYS A 61 10.046 7.047 9.900 1.00 74.25 H new ATOM 0 HA LYS A 61 8.373 8.095 7.699 1.00 1.21 H new ATOM 0 HB2 LYS A 61 10.226 9.740 7.233 1.00 73.32 H new ATOM 0 HB3 LYS A 61 9.371 10.071 8.726 1.00 73.32 H new ATOM 0 HG2 LYS A 61 11.178 8.715 9.952 1.00 34.44 H new ATOM 0 HG3 LYS A 61 12.066 8.654 8.443 1.00 34.44 H new ATOM 0 HD2 LYS A 61 12.018 11.185 8.347 1.00 35.33 H new ATOM 0 HD3 LYS A 61 11.205 11.208 9.900 1.00 35.33 H new ATOM 0 HE2 LYS A 61 13.113 10.154 11.008 1.00 45.45 H new ATOM 0 HE3 LYS A 61 13.886 9.803 9.475 1.00 45.45 H new ATOM 0 HZ1 LYS A 61 14.834 11.781 10.502 1.00 23.33 H new ATOM 0 HZ2 LYS A 61 14.062 12.194 9.047 1.00 23.33 H new ATOM 0 HZ3 LYS A 61 13.312 12.535 10.532 1.00 23.33 H new ATOM 985 N TRP A 62 9.728 6.779 6.071 1.00 45.33 N ATOM 986 CA TRP A 62 10.459 5.901 5.161 1.00 74.52 C ATOM 987 C TRP A 62 10.117 6.238 3.708 1.00 14.12 C ATOM 988 O TRP A 62 9.232 7.053 3.443 1.00 0.00 O ATOM 989 CB TRP A 62 10.149 4.425 5.504 1.00 72.22 C ATOM 990 CG TRP A 62 9.356 3.756 4.421 1.00 40.11 C ATOM 991 CD1 TRP A 62 8.121 4.128 4.013 1.00 73.32 C ATOM 992 CD2 TRP A 62 9.723 2.598 3.616 1.00 70.44 C ATOM 993 NE1 TRP A 62 7.707 3.270 3.008 1.00 14.14 N ATOM 994 CE2 TRP A 62 8.660 2.311 2.728 1.00 2.15 C ATOM 995 CE3 TRP A 62 10.865 1.777 3.573 1.00 11.01 C ATOM 996 CZ2 TRP A 62 8.728 1.247 1.827 1.00 14.44 C ATOM 997 CZ3 TRP A 62 10.936 0.706 2.667 1.00 24.14 C ATOM 998 CH2 TRP A 62 9.870 0.441 1.797 1.00 70.52 C ATOM 0 H TRP A 62 8.854 7.148 5.697 1.00 45.33 H new ATOM 0 HA TRP A 62 11.531 6.055 5.282 1.00 74.52 H new ATOM 0 HB2 TRP A 62 11.083 3.884 5.658 1.00 72.22 H new ATOM 0 HB3 TRP A 62 9.595 4.378 6.442 1.00 72.22 H new ATOM 0 HD1 TRP A 62 7.552 4.957 4.406 1.00 73.32 H new ATOM 0 HE1 TRP A 62 6.807 3.338 2.532 1.00 14.14 H new ATOM 0 HE3 TRP A 62 11.692 1.971 4.240 1.00 11.01 H new ATOM 0 HZ2 TRP A 62 7.904 1.048 1.158 1.00 14.44 H new ATOM 0 HZ3 TRP A 62 11.818 0.083 2.641 1.00 24.14 H new ATOM 0 HH2 TRP A 62 9.930 -0.385 1.104 1.00 70.52 H new ATOM 1009 N GLU A 63 10.837 5.619 2.772 1.00 12.11 N ATOM 1010 CA GLU A 63 10.618 5.871 1.345 1.00 40.41 C ATOM 1011 C GLU A 63 10.267 4.583 0.607 1.00 43.12 C ATOM 1012 O GLU A 63 10.454 3.484 1.129 1.00 43.41 O ATOM 1013 CB GLU A 63 11.879 6.489 0.734 1.00 23.13 C ATOM 1014 CG GLU A 63 11.612 6.885 -0.721 1.00 20.21 C ATOM 1015 CD GLU A 63 12.677 7.868 -1.195 1.00 53.42 C ATOM 1016 OE1 GLU A 63 13.823 7.462 -1.309 1.00 63.30 O ATOM 1017 OE2 GLU A 63 12.333 9.014 -1.437 1.00 2.33 O ATOM 0 H GLU A 63 11.574 4.943 2.973 1.00 12.11 H new ATOM 0 HA GLU A 63 9.781 6.562 1.243 1.00 40.41 H new ATOM 0 HB2 GLU A 63 12.181 7.364 1.309 1.00 23.13 H new ATOM 0 HB3 GLU A 63 12.703 5.777 0.781 1.00 23.13 H new ATOM 0 HG2 GLU A 63 11.615 5.998 -1.355 1.00 20.21 H new ATOM 0 HG3 GLU A 63 10.624 7.336 -0.809 1.00 20.21 H new ATOM 1024 N THR A 64 9.748 4.730 -0.611 1.00 42.12 N ATOM 1025 CA THR A 64 9.360 3.578 -1.421 1.00 71.14 C ATOM 1026 C THR A 64 9.472 3.905 -2.910 1.00 41.23 C ATOM 1027 O THR A 64 9.197 5.029 -3.329 1.00 12.21 O ATOM 1028 CB THR A 64 7.920 3.184 -1.088 1.00 35.44 C ATOM 1029 OG1 THR A 64 7.741 3.208 0.321 1.00 34.22 O ATOM 1030 CG2 THR A 64 7.629 1.779 -1.620 1.00 54.24 C ATOM 0 H THR A 64 9.587 5.633 -1.057 1.00 42.12 H new ATOM 0 HA THR A 64 10.031 2.749 -1.196 1.00 71.14 H new ATOM 0 HB THR A 64 7.234 3.890 -1.556 1.00 35.44 H new ATOM 0 HG1 THR A 64 8.496 2.758 0.754 1.00 34.22 H new ATOM 0 HG21 THR A 64 6.602 1.504 -1.380 1.00 54.24 H new ATOM 0 HG22 THR A 64 7.765 1.764 -2.701 1.00 54.24 H new ATOM 0 HG23 THR A 64 8.313 1.066 -1.158 1.00 54.24 H new ATOM 1038 N THR A 65 9.885 2.917 -3.705 1.00 41.52 N ATOM 1039 CA THR A 65 10.037 3.112 -5.149 1.00 24.34 C ATOM 1040 C THR A 65 8.891 2.456 -5.917 1.00 43.03 C ATOM 1041 O THR A 65 8.594 1.279 -5.714 1.00 10.41 O ATOM 1042 CB THR A 65 11.367 2.511 -5.614 1.00 43.01 C ATOM 1043 OG1 THR A 65 12.430 3.084 -4.866 1.00 31.24 O ATOM 1044 CG2 THR A 65 11.570 2.805 -7.101 1.00 44.02 C ATOM 0 H THR A 65 10.119 1.980 -3.377 1.00 41.52 H new ATOM 0 HA THR A 65 10.021 4.183 -5.350 1.00 24.34 H new ATOM 0 HB THR A 65 11.353 1.432 -5.459 1.00 43.01 H new ATOM 0 HG1 THR A 65 13.282 2.699 -5.161 1.00 31.24 H new ATOM 0 HG21 THR A 65 12.517 2.377 -7.431 1.00 44.02 H new ATOM 0 HG22 THR A 65 10.754 2.365 -7.674 1.00 44.02 H new ATOM 0 HG23 THR A 65 11.585 3.883 -7.260 1.00 44.02 H new ATOM 1052 N PHE A 66 8.251 3.225 -6.802 1.00 12.55 N ATOM 1053 CA PHE A 66 7.135 2.717 -7.604 1.00 53.42 C ATOM 1054 C PHE A 66 7.472 2.814 -9.092 1.00 14.12 C ATOM 1055 O PHE A 66 7.994 3.829 -9.549 1.00 11.14 O ATOM 1056 CB PHE A 66 5.876 3.552 -7.321 1.00 20.52 C ATOM 1057 CG PHE A 66 5.177 3.037 -6.085 1.00 41.12 C ATOM 1058 CD1 PHE A 66 5.747 3.236 -4.823 1.00 62.12 C ATOM 1059 CD2 PHE A 66 3.955 2.363 -6.202 1.00 51.21 C ATOM 1060 CE1 PHE A 66 5.095 2.760 -3.679 1.00 10.11 C ATOM 1061 CE2 PHE A 66 3.304 1.888 -5.058 1.00 13.11 C ATOM 1062 CZ PHE A 66 3.875 2.086 -3.798 1.00 21.23 C ATOM 0 H PHE A 66 8.486 4.201 -6.981 1.00 12.55 H new ATOM 0 HA PHE A 66 6.957 1.675 -7.340 1.00 53.42 H new ATOM 0 HB2 PHE A 66 6.148 4.599 -7.185 1.00 20.52 H new ATOM 0 HB3 PHE A 66 5.201 3.507 -8.175 1.00 20.52 H new ATOM 0 HD1 PHE A 66 6.689 3.756 -4.731 1.00 62.12 H new ATOM 0 HD2 PHE A 66 3.515 2.210 -7.176 1.00 51.21 H new ATOM 0 HE1 PHE A 66 5.534 2.913 -2.704 1.00 10.11 H new ATOM 0 HE2 PHE A 66 2.361 1.369 -5.149 1.00 13.11 H new ATOM 0 HZ PHE A 66 3.374 1.718 -2.915 1.00 21.23 H new ATOM 1072 N LYS A 67 7.170 1.754 -9.843 1.00 4.55 N ATOM 1073 CA LYS A 67 7.447 1.736 -11.282 1.00 22.14 C ATOM 1074 C LYS A 67 6.151 1.633 -12.078 1.00 51.00 C ATOM 1075 O LYS A 67 5.192 1.000 -11.641 1.00 74.14 O ATOM 1076 CB LYS A 67 8.338 0.544 -11.634 1.00 64.21 C ATOM 1077 CG LYS A 67 9.717 0.702 -10.981 1.00 74.21 C ATOM 1078 CD LYS A 67 10.743 -0.112 -11.769 1.00 73.23 C ATOM 1079 CE LYS A 67 12.038 -0.227 -10.960 1.00 12.53 C ATOM 1080 NZ LYS A 67 11.759 -0.932 -9.677 1.00 31.10 N ATOM 0 H LYS A 67 6.737 0.903 -9.484 1.00 4.55 H new ATOM 0 HA LYS A 67 7.955 2.666 -11.538 1.00 22.14 H new ATOM 0 HB2 LYS A 67 7.871 -0.381 -11.295 1.00 64.21 H new ATOM 0 HB3 LYS A 67 8.446 0.469 -12.716 1.00 64.21 H new ATOM 0 HG2 LYS A 67 10.006 1.753 -10.963 1.00 74.21 H new ATOM 0 HG3 LYS A 67 9.683 0.363 -9.946 1.00 74.21 H new ATOM 0 HD2 LYS A 67 10.347 -1.105 -11.984 1.00 73.23 H new ATOM 0 HD3 LYS A 67 10.943 0.366 -12.728 1.00 73.23 H new ATOM 0 HE2 LYS A 67 12.789 -0.772 -11.531 1.00 12.53 H new ATOM 0 HE3 LYS A 67 12.445 0.764 -10.762 1.00 12.53 H new ATOM 0 HZ1 LYS A 67 12.618 -1.425 -9.358 1.00 31.10 H new ATOM 0 HZ2 LYS A 67 11.469 -0.240 -8.957 1.00 31.10 H new ATOM 0 HZ3 LYS A 67 10.996 -1.624 -9.820 1.00 31.10 H new ATOM 1094 N LYS A 68 6.125 2.275 -13.244 1.00 42.54 N ATOM 1095 CA LYS A 68 4.931 2.261 -14.083 1.00 11.20 C ATOM 1096 C LYS A 68 4.717 0.888 -14.712 1.00 14.51 C ATOM 1097 O LYS A 68 5.622 0.323 -15.324 1.00 52.12 O ATOM 1098 CB LYS A 68 5.054 3.314 -15.188 1.00 72.34 C ATOM 1099 CG LYS A 68 3.665 3.650 -15.739 1.00 60.01 C ATOM 1100 CD LYS A 68 3.803 4.640 -16.899 1.00 21.14 C ATOM 1101 CE LYS A 68 2.414 5.034 -17.404 1.00 14.22 C ATOM 1102 NZ LYS A 68 2.543 5.742 -18.709 1.00 41.20 N ATOM 0 H LYS A 68 6.908 2.806 -13.625 1.00 42.54 H new ATOM 0 HA LYS A 68 4.073 2.491 -13.451 1.00 11.20 H new ATOM 0 HB2 LYS A 68 5.527 4.214 -14.795 1.00 72.34 H new ATOM 0 HB3 LYS A 68 5.693 2.942 -15.989 1.00 72.34 H new ATOM 0 HG2 LYS A 68 3.167 2.742 -16.079 1.00 60.01 H new ATOM 0 HG3 LYS A 68 3.044 4.079 -14.953 1.00 60.01 H new ATOM 0 HD2 LYS A 68 4.347 5.526 -16.572 1.00 21.14 H new ATOM 0 HD3 LYS A 68 4.381 4.191 -17.707 1.00 21.14 H new ATOM 0 HE2 LYS A 68 1.792 4.146 -17.519 1.00 14.22 H new ATOM 0 HE3 LYS A 68 1.920 5.677 -16.676 1.00 14.22 H new ATOM 0 HZ1 LYS A 68 1.599 6.010 -19.053 1.00 41.20 H new ATOM 0 HZ2 LYS A 68 3.122 6.597 -18.584 1.00 41.20 H new ATOM 0 HZ3 LYS A 68 2.998 5.114 -19.401 1.00 41.20 H new ATOM 1116 N THR A 69 3.504 0.363 -14.559 1.00 33.34 N ATOM 1117 CA THR A 69 3.155 -0.943 -15.117 1.00 0.52 C ATOM 1118 C THR A 69 1.884 -0.834 -15.951 1.00 24.32 C ATOM 1119 O THR A 69 1.212 0.198 -15.941 1.00 12.35 O ATOM 1120 CB THR A 69 2.937 -1.951 -13.987 1.00 72.31 C ATOM 1121 OG1 THR A 69 2.490 -3.184 -14.534 1.00 33.32 O ATOM 1122 CG2 THR A 69 1.888 -1.411 -13.014 1.00 43.53 C ATOM 0 H THR A 69 2.746 0.821 -14.054 1.00 33.34 H new ATOM 0 HA THR A 69 3.973 -1.282 -15.752 1.00 0.52 H new ATOM 0 HB THR A 69 3.875 -2.109 -13.454 1.00 72.31 H new ATOM 0 HG1 THR A 69 2.352 -3.831 -13.811 1.00 33.32 H new ATOM 0 HG21 THR A 69 1.734 -2.130 -12.210 1.00 43.53 H new ATOM 0 HG22 THR A 69 2.233 -0.466 -12.595 1.00 43.53 H new ATOM 0 HG23 THR A 69 0.949 -1.252 -13.543 1.00 43.53 H new ATOM 1130 N SER A 70 1.555 -1.903 -16.670 1.00 73.34 N ATOM 1131 CA SER A 70 0.355 -1.916 -17.504 1.00 21.14 C ATOM 1132 C SER A 70 -0.795 -2.582 -16.763 1.00 62.34 C ATOM 1133 O SER A 70 -1.872 -2.783 -17.321 1.00 33.02 O ATOM 1134 CB SER A 70 0.630 -2.667 -18.806 1.00 1.13 C ATOM 1135 OG SER A 70 0.653 -4.064 -18.545 1.00 23.12 O ATOM 0 H SER A 70 2.097 -2.767 -16.693 1.00 73.34 H new ATOM 0 HA SER A 70 0.081 -0.886 -17.734 1.00 21.14 H new ATOM 0 HB2 SER A 70 -0.139 -2.435 -19.543 1.00 1.13 H new ATOM 0 HB3 SER A 70 1.583 -2.348 -19.229 1.00 1.13 H new ATOM 0 HG SER A 70 0.827 -4.550 -19.378 1.00 23.12 H new ATOM 1141 N ASP A 71 -0.535 -2.936 -15.506 1.00 22.24 N ATOM 1142 CA ASP A 71 -1.522 -3.607 -14.652 1.00 64.20 C ATOM 1143 C ASP A 71 -2.954 -3.394 -15.134 1.00 33.31 C ATOM 1144 O ASP A 71 -3.729 -4.347 -15.214 1.00 53.13 O ATOM 1145 CB ASP A 71 -1.393 -3.103 -13.214 1.00 73.54 C ATOM 1146 CG ASP A 71 -2.138 -4.040 -12.268 1.00 60.01 C ATOM 1147 OD1 ASP A 71 -3.269 -4.379 -12.570 1.00 13.14 O ATOM 1148 OD2 ASP A 71 -1.563 -4.406 -11.256 1.00 12.33 O ATOM 0 H ASP A 71 0.361 -2.768 -15.049 1.00 22.24 H new ATOM 0 HA ASP A 71 -1.313 -4.676 -14.701 1.00 64.20 H new ATOM 0 HB2 ASP A 71 -0.342 -3.047 -12.932 1.00 73.54 H new ATOM 0 HB3 ASP A 71 -1.798 -2.094 -13.135 1.00 73.54 H new ATOM 1153 N ASP A 72 -3.311 -2.152 -15.458 1.00 44.42 N ATOM 1154 CA ASP A 72 -4.660 -1.861 -15.930 1.00 32.43 C ATOM 1155 C ASP A 72 -4.775 -0.398 -16.337 1.00 74.41 C ATOM 1156 O ASP A 72 -5.165 0.454 -15.538 1.00 20.14 O ATOM 1157 CB ASP A 72 -5.680 -2.173 -14.837 1.00 3.42 C ATOM 1158 CG ASP A 72 -7.068 -1.699 -15.261 1.00 4.12 C ATOM 1159 OD1 ASP A 72 -7.440 -1.958 -16.393 1.00 4.42 O ATOM 1160 OD2 ASP A 72 -7.736 -1.083 -14.446 1.00 4.41 O ATOM 0 H ASP A 72 -2.693 -1.342 -15.403 1.00 44.42 H new ATOM 0 HA ASP A 72 -4.864 -2.487 -16.798 1.00 32.43 H new ATOM 0 HB2 ASP A 72 -5.698 -3.245 -14.641 1.00 3.42 H new ATOM 0 HB3 ASP A 72 -5.389 -1.684 -13.907 1.00 3.42 H new ATOM 1165 N GLY A 73 -4.435 -0.120 -17.586 1.00 74.51 N ATOM 1166 CA GLY A 73 -4.503 1.240 -18.105 1.00 13.45 C ATOM 1167 C GLY A 73 -3.295 2.061 -17.664 1.00 4.30 C ATOM 1168 O GLY A 73 -2.195 1.898 -18.193 1.00 13.04 O ATOM 0 H GLY A 73 -4.110 -0.815 -18.258 1.00 74.51 H new ATOM 0 HA2 GLY A 73 -4.551 1.214 -19.194 1.00 13.45 H new ATOM 0 HA3 GLY A 73 -5.418 1.719 -17.757 1.00 13.45 H new ATOM 1172 N GLU A 74 -3.505 2.932 -16.679 1.00 34.54 N ATOM 1173 CA GLU A 74 -2.428 3.770 -16.146 1.00 24.41 C ATOM 1174 C GLU A 74 -2.279 3.542 -14.646 1.00 21.41 C ATOM 1175 O GLU A 74 -2.954 4.191 -13.847 1.00 30.23 O ATOM 1176 CB GLU A 74 -2.738 5.245 -16.407 1.00 14.11 C ATOM 1177 CG GLU A 74 -2.664 5.526 -17.909 1.00 32.41 C ATOM 1178 CD GLU A 74 -2.919 7.005 -18.176 1.00 32.24 C ATOM 1179 OE1 GLU A 74 -3.304 7.697 -17.248 1.00 33.22 O ATOM 1180 OE2 GLU A 74 -2.724 7.426 -19.306 1.00 13.01 O ATOM 0 H GLU A 74 -4.410 3.077 -16.232 1.00 34.54 H new ATOM 0 HA GLU A 74 -1.497 3.501 -16.644 1.00 24.41 H new ATOM 0 HB2 GLU A 74 -3.730 5.491 -16.029 1.00 14.11 H new ATOM 0 HB3 GLU A 74 -2.028 5.876 -15.873 1.00 14.11 H new ATOM 0 HG2 GLU A 74 -1.684 5.243 -18.292 1.00 32.41 H new ATOM 0 HG3 GLU A 74 -3.400 4.920 -18.437 1.00 32.41 H new ATOM 1187 N VAL A 75 -1.414 2.607 -14.260 1.00 54.24 N ATOM 1188 CA VAL A 75 -1.213 2.297 -12.844 1.00 74.13 C ATOM 1189 C VAL A 75 0.265 2.160 -12.507 1.00 54.35 C ATOM 1190 O VAL A 75 1.071 1.754 -13.344 1.00 22.34 O ATOM 1191 CB VAL A 75 -1.933 1.003 -12.474 1.00 62.25 C ATOM 1192 CG1 VAL A 75 -1.804 0.766 -10.961 1.00 64.10 C ATOM 1193 CG2 VAL A 75 -3.411 1.113 -12.868 1.00 23.10 C ATOM 0 H VAL A 75 -0.845 2.054 -14.901 1.00 54.24 H new ATOM 0 HA VAL A 75 -1.626 3.126 -12.269 1.00 74.13 H new ATOM 0 HB VAL A 75 -1.485 0.164 -13.006 1.00 62.25 H new ATOM 0 HG11 VAL A 75 -2.317 -0.157 -10.692 1.00 64.10 H new ATOM 0 HG12 VAL A 75 -0.750 0.687 -10.694 1.00 64.10 H new ATOM 0 HG13 VAL A 75 -2.253 1.600 -10.422 1.00 64.10 H new ATOM 0 HG21 VAL A 75 -3.927 0.190 -12.605 1.00 23.10 H new ATOM 0 HG22 VAL A 75 -3.868 1.948 -12.337 1.00 23.10 H new ATOM 0 HG23 VAL A 75 -3.490 1.279 -13.942 1.00 23.10 H new ATOM 1203 N TYR A 76 0.608 2.487 -11.263 1.00 20.31 N ATOM 1204 CA TYR A 76 1.989 2.386 -10.793 1.00 54.31 C ATOM 1205 C TYR A 76 2.065 1.318 -9.704 1.00 3.43 C ATOM 1206 O TYR A 76 1.071 1.050 -9.031 1.00 71.11 O ATOM 1207 CB TYR A 76 2.438 3.747 -10.267 1.00 25.33 C ATOM 1208 CG TYR A 76 2.033 4.794 -11.278 1.00 1.12 C ATOM 1209 CD1 TYR A 76 2.879 5.097 -12.351 1.00 73.11 C ATOM 1210 CD2 TYR A 76 0.801 5.447 -11.155 1.00 11.12 C ATOM 1211 CE1 TYR A 76 2.495 6.053 -13.299 1.00 11.35 C ATOM 1212 CE2 TYR A 76 0.418 6.405 -12.102 1.00 72.52 C ATOM 1213 CZ TYR A 76 1.264 6.708 -13.174 1.00 4.34 C ATOM 1214 OH TYR A 76 0.886 7.651 -14.107 1.00 23.33 O ATOM 0 H TYR A 76 -0.051 2.824 -10.562 1.00 20.31 H new ATOM 0 HA TYR A 76 2.653 2.097 -11.607 1.00 54.31 H new ATOM 0 HB2 TYR A 76 1.978 3.953 -9.300 1.00 25.33 H new ATOM 0 HB3 TYR A 76 3.517 3.760 -10.116 1.00 25.33 H new ATOM 0 HD1 TYR A 76 3.829 4.593 -12.448 1.00 73.11 H new ATOM 0 HD2 TYR A 76 0.146 5.212 -10.329 1.00 11.12 H new ATOM 0 HE1 TYR A 76 3.149 6.285 -14.127 1.00 11.35 H new ATOM 0 HE2 TYR A 76 -0.531 6.910 -12.005 1.00 72.52 H new ATOM 0 HH TYR A 76 -0.073 7.832 -14.019 1.00 23.33 H new ATOM 1224 N TYR A 77 3.237 0.704 -9.530 1.00 13.23 N ATOM 1225 CA TYR A 77 3.379 -0.340 -8.510 1.00 64.31 C ATOM 1226 C TYR A 77 4.819 -0.511 -8.032 1.00 23.13 C ATOM 1227 O TYR A 77 5.759 -0.446 -8.825 1.00 24.02 O ATOM 1228 CB TYR A 77 2.847 -1.675 -9.064 1.00 54.32 C ATOM 1229 CG TYR A 77 3.962 -2.456 -9.731 1.00 1.44 C ATOM 1230 CD1 TYR A 77 4.518 -1.995 -10.930 1.00 24.12 C ATOM 1231 CD2 TYR A 77 4.439 -3.637 -9.147 1.00 72.44 C ATOM 1232 CE1 TYR A 77 5.549 -2.715 -11.546 1.00 15.25 C ATOM 1233 CE2 TYR A 77 5.470 -4.356 -9.763 1.00 14.12 C ATOM 1234 CZ TYR A 77 6.025 -3.895 -10.963 1.00 23.33 C ATOM 1235 OH TYR A 77 7.042 -4.604 -11.570 1.00 34.21 O ATOM 0 H TYR A 77 4.082 0.903 -10.066 1.00 13.23 H new ATOM 0 HA TYR A 77 2.795 -0.029 -7.644 1.00 64.31 H new ATOM 0 HB2 TYR A 77 2.415 -2.265 -8.255 1.00 54.32 H new ATOM 0 HB3 TYR A 77 2.049 -1.485 -9.781 1.00 54.32 H new ATOM 0 HD1 TYR A 77 4.152 -1.084 -11.380 1.00 24.12 H new ATOM 0 HD2 TYR A 77 4.011 -3.993 -8.221 1.00 72.44 H new ATOM 0 HE1 TYR A 77 5.977 -2.360 -12.472 1.00 15.25 H new ATOM 0 HE2 TYR A 77 5.837 -5.266 -9.313 1.00 14.12 H new ATOM 0 HH TYR A 77 7.253 -5.397 -11.034 1.00 34.21 H new ATOM 1245 N SER A 78 4.982 -0.769 -6.733 1.00 34.12 N ATOM 1246 CA SER A 78 6.305 -0.994 -6.157 1.00 44.32 C ATOM 1247 C SER A 78 6.528 -2.494 -5.977 1.00 31.35 C ATOM 1248 O SER A 78 5.982 -3.107 -5.058 1.00 51.51 O ATOM 1249 CB SER A 78 6.403 -0.300 -4.800 1.00 72.53 C ATOM 1250 OG SER A 78 5.253 -0.621 -4.027 1.00 63.21 O ATOM 0 H SER A 78 4.215 -0.827 -6.063 1.00 34.12 H new ATOM 0 HA SER A 78 7.064 -0.586 -6.825 1.00 44.32 H new ATOM 0 HB2 SER A 78 7.306 -0.618 -4.280 1.00 72.53 H new ATOM 0 HB3 SER A 78 6.476 0.779 -4.934 1.00 72.53 H new ATOM 0 HG SER A 78 4.719 0.188 -3.883 1.00 63.21 H new ATOM 1256 N GLU A 79 7.312 -3.080 -6.872 1.00 62.43 N ATOM 1257 CA GLU A 79 7.581 -4.516 -6.822 1.00 61.20 C ATOM 1258 C GLU A 79 8.156 -4.936 -5.468 1.00 63.04 C ATOM 1259 O GLU A 79 7.838 -6.009 -4.959 1.00 34.22 O ATOM 1260 CB GLU A 79 8.564 -4.894 -7.936 1.00 63.42 C ATOM 1261 CG GLU A 79 8.497 -6.402 -8.208 1.00 51.11 C ATOM 1262 CD GLU A 79 9.036 -7.176 -7.009 1.00 61.44 C ATOM 1263 OE1 GLU A 79 10.123 -6.853 -6.561 1.00 33.42 O ATOM 1264 OE2 GLU A 79 8.352 -8.079 -6.556 1.00 14.04 O ATOM 0 H GLU A 79 7.772 -2.589 -7.639 1.00 62.43 H new ATOM 0 HA GLU A 79 6.635 -5.040 -6.963 1.00 61.20 H new ATOM 0 HB2 GLU A 79 8.326 -4.342 -8.845 1.00 63.42 H new ATOM 0 HB3 GLU A 79 9.577 -4.613 -7.649 1.00 63.42 H new ATOM 0 HG2 GLU A 79 7.467 -6.698 -8.408 1.00 51.11 H new ATOM 0 HG3 GLU A 79 9.077 -6.645 -9.098 1.00 51.11 H new ATOM 1271 N GLU A 80 9.022 -4.102 -4.905 1.00 52.34 N ATOM 1272 CA GLU A 80 9.655 -4.421 -3.627 1.00 52.25 C ATOM 1273 C GLU A 80 8.682 -4.303 -2.451 1.00 12.04 C ATOM 1274 O GLU A 80 8.794 -5.045 -1.475 1.00 24.00 O ATOM 1275 CB GLU A 80 10.845 -3.489 -3.393 1.00 55.45 C ATOM 1276 CG GLU A 80 10.353 -2.045 -3.279 1.00 30.33 C ATOM 1277 CD GLU A 80 11.543 -1.094 -3.202 1.00 21.44 C ATOM 1278 OE1 GLU A 80 12.087 -0.944 -2.120 1.00 35.03 O ATOM 1279 OE2 GLU A 80 11.893 -0.530 -4.225 1.00 63.24 O ATOM 0 H GLU A 80 9.301 -3.207 -5.307 1.00 52.34 H new ATOM 0 HA GLU A 80 9.988 -5.457 -3.680 1.00 52.25 H new ATOM 0 HB2 GLU A 80 11.372 -3.777 -2.483 1.00 55.45 H new ATOM 0 HB3 GLU A 80 11.556 -3.578 -4.214 1.00 55.45 H new ATOM 0 HG2 GLU A 80 9.732 -1.795 -4.139 1.00 30.33 H new ATOM 0 HG3 GLU A 80 9.729 -1.933 -2.392 1.00 30.33 H new ATOM 1286 N ALA A 81 7.746 -3.359 -2.531 1.00 65.34 N ATOM 1287 CA ALA A 81 6.787 -3.151 -1.441 1.00 42.10 C ATOM 1288 C ALA A 81 5.423 -3.765 -1.753 1.00 0.31 C ATOM 1289 O ALA A 81 4.461 -3.542 -1.018 1.00 12.34 O ATOM 1290 CB ALA A 81 6.623 -1.650 -1.183 1.00 60.53 C ATOM 0 H ALA A 81 7.629 -2.732 -3.327 1.00 65.34 H new ATOM 0 HA ALA A 81 7.181 -3.648 -0.554 1.00 42.10 H new ATOM 0 HB1 ALA A 81 5.910 -1.496 -0.373 1.00 60.53 H new ATOM 0 HB2 ALA A 81 7.586 -1.221 -0.906 1.00 60.53 H new ATOM 0 HB3 ALA A 81 6.256 -1.163 -2.087 1.00 60.53 H new ATOM 1296 N LYS A 82 5.339 -4.538 -2.836 1.00 21.31 N ATOM 1297 CA LYS A 82 4.074 -5.175 -3.220 1.00 52.21 C ATOM 1298 C LYS A 82 2.893 -4.259 -2.909 1.00 44.35 C ATOM 1299 O LYS A 82 2.001 -4.609 -2.130 1.00 2.02 O ATOM 1300 CB LYS A 82 3.906 -6.500 -2.472 1.00 74.04 C ATOM 1301 CG LYS A 82 5.023 -7.463 -2.880 1.00 42.22 C ATOM 1302 CD LYS A 82 4.774 -8.832 -2.242 1.00 33.13 C ATOM 1303 CE LYS A 82 5.951 -9.760 -2.548 1.00 64.01 C ATOM 1304 NZ LYS A 82 7.119 -9.377 -1.706 1.00 52.33 N ATOM 0 H LYS A 82 6.122 -4.738 -3.459 1.00 21.31 H new ATOM 0 HA LYS A 82 4.098 -5.365 -4.293 1.00 52.21 H new ATOM 0 HB2 LYS A 82 3.935 -6.328 -1.396 1.00 74.04 H new ATOM 0 HB3 LYS A 82 2.934 -6.937 -2.699 1.00 74.04 H new ATOM 0 HG2 LYS A 82 5.059 -7.557 -3.965 1.00 42.22 H new ATOM 0 HG3 LYS A 82 5.989 -7.072 -2.562 1.00 42.22 H new ATOM 0 HD2 LYS A 82 4.652 -8.726 -1.164 1.00 33.13 H new ATOM 0 HD3 LYS A 82 3.849 -9.261 -2.627 1.00 33.13 H new ATOM 0 HE2 LYS A 82 5.672 -10.795 -2.352 1.00 64.01 H new ATOM 0 HE3 LYS A 82 6.214 -9.695 -3.604 1.00 64.01 H new ATOM 0 HZ1 LYS A 82 7.823 -10.143 -1.719 1.00 52.33 H new ATOM 0 HZ2 LYS A 82 7.547 -8.507 -2.082 1.00 52.33 H new ATOM 0 HZ3 LYS A 82 6.804 -9.214 -0.729 1.00 52.33 H new ATOM 1318 N LYS A 83 2.899 -3.091 -3.543 1.00 4.20 N ATOM 1319 CA LYS A 83 1.838 -2.103 -3.354 1.00 70.41 C ATOM 1320 C LYS A 83 1.548 -1.380 -4.663 1.00 2.53 C ATOM 1321 O LYS A 83 2.463 -0.926 -5.350 1.00 64.44 O ATOM 1322 CB LYS A 83 2.251 -1.088 -2.286 1.00 33.14 C ATOM 1323 CG LYS A 83 1.149 -0.039 -2.126 1.00 34.14 C ATOM 1324 CD LYS A 83 1.427 0.812 -0.884 1.00 35.04 C ATOM 1325 CE LYS A 83 0.578 2.084 -0.933 1.00 11.14 C ATOM 1326 NZ LYS A 83 0.648 2.779 0.384 1.00 33.21 N ATOM 0 H LYS A 83 3.629 -2.803 -4.195 1.00 4.20 H new ATOM 0 HA LYS A 83 0.936 -2.621 -3.028 1.00 70.41 H new ATOM 0 HB2 LYS A 83 2.427 -1.594 -1.337 1.00 33.14 H new ATOM 0 HB3 LYS A 83 3.187 -0.607 -2.569 1.00 33.14 H new ATOM 0 HG2 LYS A 83 1.105 0.595 -3.011 1.00 34.14 H new ATOM 0 HG3 LYS A 83 0.179 -0.527 -2.035 1.00 34.14 H new ATOM 0 HD2 LYS A 83 1.197 0.244 0.017 1.00 35.04 H new ATOM 0 HD3 LYS A 83 2.485 1.070 -0.837 1.00 35.04 H new ATOM 0 HE2 LYS A 83 0.937 2.743 -1.724 1.00 11.14 H new ATOM 0 HE3 LYS A 83 -0.456 1.835 -1.170 1.00 11.14 H new ATOM 0 HZ1 LYS A 83 -0.232 3.309 0.544 1.00 33.21 H new ATOM 0 HZ2 LYS A 83 0.772 2.077 1.141 1.00 33.21 H new ATOM 0 HZ3 LYS A 83 1.454 3.437 0.387 1.00 33.21 H new ATOM 1340 N LYS A 84 0.268 -1.309 -5.018 1.00 61.33 N ATOM 1341 CA LYS A 84 -0.147 -0.674 -6.268 1.00 15.13 C ATOM 1342 C LYS A 84 -1.157 0.435 -6.026 1.00 33.04 C ATOM 1343 O LYS A 84 -2.118 0.258 -5.278 1.00 5.31 O ATOM 1344 CB LYS A 84 -0.767 -1.740 -7.176 1.00 63.23 C ATOM 1345 CG LYS A 84 -0.977 -1.182 -8.582 1.00 1.24 C ATOM 1346 CD LYS A 84 -1.685 -2.230 -9.452 1.00 22.24 C ATOM 1347 CE LYS A 84 -3.182 -2.274 -9.121 1.00 73.10 C ATOM 1348 NZ LYS A 84 -3.912 -2.939 -10.237 1.00 24.43 N ATOM 0 H LYS A 84 -0.500 -1.682 -4.460 1.00 61.33 H new ATOM 0 HA LYS A 84 0.729 -0.227 -6.738 1.00 15.13 H new ATOM 0 HB2 LYS A 84 -0.117 -2.614 -7.218 1.00 63.23 H new ATOM 0 HB3 LYS A 84 -1.720 -2.070 -6.762 1.00 63.23 H new ATOM 0 HG2 LYS A 84 -1.572 -0.270 -8.537 1.00 1.24 H new ATOM 0 HG3 LYS A 84 -0.018 -0.915 -9.025 1.00 1.24 H new ATOM 0 HD2 LYS A 84 -1.546 -1.991 -10.506 1.00 22.24 H new ATOM 0 HD3 LYS A 84 -1.240 -3.211 -9.286 1.00 22.24 H new ATOM 0 HE2 LYS A 84 -3.345 -2.817 -8.190 1.00 73.10 H new ATOM 0 HE3 LYS A 84 -3.563 -1.264 -8.972 1.00 73.10 H new ATOM 0 HZ1 LYS A 84 -4.937 -2.837 -10.091 1.00 24.43 H new ATOM 0 HZ2 LYS A 84 -3.645 -2.496 -11.139 1.00 24.43 H new ATOM 0 HZ3 LYS A 84 -3.665 -3.949 -10.260 1.00 24.43 H new ATOM 1362 N VAL A 85 -0.952 1.574 -6.697 1.00 54.21 N ATOM 1363 CA VAL A 85 -1.878 2.694 -6.575 1.00 33.14 C ATOM 1364 C VAL A 85 -2.229 3.228 -7.961 1.00 25.24 C ATOM 1365 O VAL A 85 -1.355 3.510 -8.780 1.00 41.14 O ATOM 1366 CB VAL A 85 -1.277 3.783 -5.652 1.00 5.13 C ATOM 1367 CG1 VAL A 85 -0.387 3.107 -4.605 1.00 50.04 C ATOM 1368 CG2 VAL A 85 -0.436 4.843 -6.413 1.00 32.55 C ATOM 0 H VAL A 85 -0.162 1.739 -7.321 1.00 54.21 H new ATOM 0 HA VAL A 85 -2.806 2.360 -6.112 1.00 33.14 H new ATOM 0 HB VAL A 85 -2.114 4.309 -5.193 1.00 5.13 H new ATOM 0 HG11 VAL A 85 0.042 3.864 -3.949 1.00 50.04 H new ATOM 0 HG12 VAL A 85 -0.984 2.411 -4.015 1.00 50.04 H new ATOM 0 HG13 VAL A 85 0.415 2.564 -5.105 1.00 50.04 H new ATOM 0 HG21 VAL A 85 -0.046 5.574 -5.705 1.00 32.55 H new ATOM 0 HG22 VAL A 85 0.394 4.352 -6.922 1.00 32.55 H new ATOM 0 HG23 VAL A 85 -1.064 5.348 -7.147 1.00 32.55 H new ATOM 1378 N GLU A 86 -3.537 3.309 -8.228 1.00 74.44 N ATOM 1379 CA GLU A 86 -4.037 3.748 -9.533 1.00 64.25 C ATOM 1380 C GLU A 86 -4.963 4.942 -9.402 1.00 40.21 C ATOM 1381 O GLU A 86 -5.831 4.978 -8.532 1.00 1.22 O ATOM 1382 CB GLU A 86 -4.813 2.608 -10.196 1.00 73.23 C ATOM 1383 CG GLU A 86 -5.925 2.131 -9.259 1.00 21.42 C ATOM 1384 CD GLU A 86 -6.548 0.848 -9.801 1.00 24.03 C ATOM 1385 OE1 GLU A 86 -6.209 0.471 -10.911 1.00 20.02 O ATOM 1386 OE2 GLU A 86 -7.356 0.263 -9.098 1.00 42.40 O ATOM 0 H GLU A 86 -4.268 3.076 -7.556 1.00 74.44 H new ATOM 0 HA GLU A 86 -3.176 4.034 -10.137 1.00 64.25 H new ATOM 0 HB2 GLU A 86 -5.239 2.946 -11.140 1.00 73.23 H new ATOM 0 HB3 GLU A 86 -4.140 1.783 -10.428 1.00 73.23 H new ATOM 0 HG2 GLU A 86 -5.522 1.956 -8.262 1.00 21.42 H new ATOM 0 HG3 GLU A 86 -6.688 2.904 -9.163 1.00 21.42 H new ATOM 1393 N VAL A 87 -4.776 5.917 -10.279 1.00 1.04 N ATOM 1394 CA VAL A 87 -5.607 7.109 -10.247 1.00 71.31 C ATOM 1395 C VAL A 87 -7.080 6.749 -10.462 1.00 43.10 C ATOM 1396 O VAL A 87 -7.549 6.630 -11.593 1.00 5.40 O ATOM 1397 CB VAL A 87 -5.137 8.092 -11.333 1.00 4.05 C ATOM 1398 CG1 VAL A 87 -4.775 7.314 -12.602 1.00 21.34 C ATOM 1399 CG2 VAL A 87 -6.243 9.115 -11.652 1.00 45.42 C ATOM 0 H VAL A 87 -4.066 5.907 -11.012 1.00 1.04 H new ATOM 0 HA VAL A 87 -5.512 7.578 -9.268 1.00 71.31 H new ATOM 0 HB VAL A 87 -4.262 8.628 -10.967 1.00 4.05 H new ATOM 0 HG11 VAL A 87 -4.442 8.009 -13.372 1.00 21.34 H new ATOM 0 HG12 VAL A 87 -3.975 6.608 -12.380 1.00 21.34 H new ATOM 0 HG13 VAL A 87 -5.650 6.771 -12.958 1.00 21.34 H new ATOM 0 HG21 VAL A 87 -5.892 9.802 -12.422 1.00 45.42 H new ATOM 0 HG22 VAL A 87 -7.130 8.592 -12.009 1.00 45.42 H new ATOM 0 HG23 VAL A 87 -6.490 9.676 -10.751 1.00 45.42 H new ATOM 1409 N LEU A 88 -7.798 6.599 -9.354 1.00 5.13 N ATOM 1410 CA LEU A 88 -9.224 6.280 -9.394 1.00 14.04 C ATOM 1411 C LEU A 88 -10.001 7.589 -9.448 1.00 60.34 C ATOM 1412 O LEU A 88 -11.164 7.645 -9.847 1.00 4.54 O ATOM 1413 CB LEU A 88 -9.608 5.469 -8.139 1.00 42.12 C ATOM 1414 CG LEU A 88 -10.710 4.444 -8.457 1.00 42.32 C ATOM 1415 CD1 LEU A 88 -11.928 5.158 -9.049 1.00 72.52 C ATOM 1416 CD2 LEU A 88 -10.191 3.384 -9.448 1.00 14.00 C ATOM 0 H LEU A 88 -7.416 6.693 -8.413 1.00 5.13 H new ATOM 0 HA LEU A 88 -9.460 5.678 -10.272 1.00 14.04 H new ATOM 0 HB2 LEU A 88 -8.729 4.954 -7.752 1.00 42.12 H new ATOM 0 HB3 LEU A 88 -9.951 6.145 -7.356 1.00 42.12 H new ATOM 0 HG LEU A 88 -10.999 3.944 -7.533 1.00 42.32 H new ATOM 0 HD11 LEU A 88 -12.705 4.427 -9.272 1.00 72.52 H new ATOM 0 HD12 LEU A 88 -12.308 5.884 -8.331 1.00 72.52 H new ATOM 0 HD13 LEU A 88 -11.639 5.671 -9.966 1.00 72.52 H new ATOM 0 HD21 LEU A 88 -10.984 2.667 -9.662 1.00 14.00 H new ATOM 0 HD22 LEU A 88 -9.883 3.871 -10.373 1.00 14.00 H new ATOM 0 HD23 LEU A 88 -9.339 2.863 -9.011 1.00 14.00 H new ATOM 1428 N ASP A 89 -9.306 8.643 -9.055 1.00 63.45 N ATOM 1429 CA ASP A 89 -9.836 9.996 -9.042 1.00 52.10 C ATOM 1430 C ASP A 89 -8.719 10.897 -8.537 1.00 22.01 C ATOM 1431 O ASP A 89 -8.205 10.689 -7.437 1.00 32.14 O ATOM 1432 CB ASP A 89 -11.070 10.099 -8.128 1.00 0.24 C ATOM 1433 CG ASP A 89 -12.055 11.128 -8.679 1.00 3.14 C ATOM 1434 OD1 ASP A 89 -12.838 10.766 -9.541 1.00 3.45 O ATOM 1435 OD2 ASP A 89 -12.011 12.262 -8.230 1.00 22.13 O ATOM 0 H ASP A 89 -8.341 8.581 -8.730 1.00 63.45 H new ATOM 0 HA ASP A 89 -10.159 10.292 -10.040 1.00 52.10 H new ATOM 0 HB2 ASP A 89 -11.556 9.126 -8.051 1.00 0.24 H new ATOM 0 HB3 ASP A 89 -10.763 10.383 -7.122 1.00 0.24 H new ATOM 1440 N THR A 90 -8.309 11.869 -9.340 1.00 61.52 N ATOM 1441 CA THR A 90 -7.213 12.741 -8.937 1.00 2.42 C ATOM 1442 C THR A 90 -7.393 14.148 -9.505 1.00 13.23 C ATOM 1443 O THR A 90 -7.497 14.337 -10.717 1.00 1.21 O ATOM 1444 CB THR A 90 -5.883 12.098 -9.397 1.00 74.32 C ATOM 1445 OG1 THR A 90 -4.824 12.392 -8.485 1.00 32.24 O ATOM 1446 CG2 THR A 90 -5.502 12.590 -10.798 1.00 23.33 C ATOM 0 H THR A 90 -8.709 12.072 -10.256 1.00 61.52 H new ATOM 0 HA THR A 90 -7.201 12.848 -7.852 1.00 2.42 H new ATOM 0 HB THR A 90 -6.032 11.019 -9.422 1.00 74.32 H new ATOM 0 HG1 THR A 90 -4.003 12.578 -8.986 1.00 32.24 H new ATOM 0 HG21 THR A 90 -4.564 12.127 -11.104 1.00 23.33 H new ATOM 0 HG22 THR A 90 -6.287 12.320 -11.504 1.00 23.33 H new ATOM 0 HG23 THR A 90 -5.384 13.673 -10.783 1.00 23.33 H new ATOM 1454 N ASP A 91 -7.411 15.129 -8.612 1.00 74.13 N ATOM 1455 CA ASP A 91 -7.555 16.522 -9.017 1.00 21.22 C ATOM 1456 C ASP A 91 -6.192 17.071 -9.401 1.00 33.12 C ATOM 1457 O ASP A 91 -6.075 17.964 -10.239 1.00 15.43 O ATOM 1458 CB ASP A 91 -8.133 17.348 -7.873 1.00 40.13 C ATOM 1459 CG ASP A 91 -8.506 18.741 -8.371 1.00 21.25 C ATOM 1460 OD1 ASP A 91 -7.957 19.155 -9.379 1.00 24.44 O ATOM 1461 OD2 ASP A 91 -9.338 19.371 -7.739 1.00 51.45 O ATOM 0 H ASP A 91 -7.328 14.987 -7.605 1.00 74.13 H new ATOM 0 HA ASP A 91 -8.233 16.580 -9.869 1.00 21.22 H new ATOM 0 HB2 ASP A 91 -9.013 16.852 -7.464 1.00 40.13 H new ATOM 0 HB3 ASP A 91 -7.405 17.425 -7.065 1.00 40.13 H new ATOM 1466 N TYR A 92 -5.163 16.506 -8.781 1.00 32.54 N ATOM 1467 CA TYR A 92 -3.791 16.909 -9.052 1.00 12.11 C ATOM 1468 C TYR A 92 -3.566 18.380 -8.707 1.00 0.24 C ATOM 1469 O TYR A 92 -2.580 18.971 -9.147 1.00 12.25 O ATOM 1470 CB TYR A 92 -3.465 16.663 -10.545 1.00 43.41 C ATOM 1471 CG TYR A 92 -2.485 15.518 -10.700 1.00 55.33 C ATOM 1472 CD1 TYR A 92 -2.670 14.327 -9.985 1.00 31.44 C ATOM 1473 CD2 TYR A 92 -1.394 15.649 -11.568 1.00 71.13 C ATOM 1474 CE1 TYR A 92 -1.764 13.274 -10.136 1.00 43.34 C ATOM 1475 CE2 TYR A 92 -0.489 14.594 -11.718 1.00 15.14 C ATOM 1476 CZ TYR A 92 -0.673 13.407 -11.003 1.00 41.01 C ATOM 1477 OH TYR A 92 0.222 12.372 -11.151 1.00 3.13 O ATOM 0 H TYR A 92 -5.255 15.766 -8.086 1.00 32.54 H new ATOM 0 HA TYR A 92 -3.128 16.312 -8.426 1.00 12.11 H new ATOM 0 HB2 TYR A 92 -4.382 16.439 -11.090 1.00 43.41 H new ATOM 0 HB3 TYR A 92 -3.046 17.568 -10.984 1.00 43.41 H new ATOM 0 HD1 TYR A 92 -3.513 14.223 -9.317 1.00 31.44 H new ATOM 0 HD2 TYR A 92 -1.252 16.565 -12.122 1.00 71.13 H new ATOM 0 HE1 TYR A 92 -1.906 12.357 -9.583 1.00 43.34 H new ATOM 0 HE2 TYR A 92 0.353 14.696 -12.387 1.00 15.14 H new ATOM 0 HH TYR A 92 0.748 12.274 -10.330 1.00 3.13 H new ATOM 1487 N LYS A 93 -4.466 18.984 -7.928 1.00 72.45 N ATOM 1488 CA LYS A 93 -4.306 20.388 -7.570 1.00 2.32 C ATOM 1489 C LYS A 93 -5.033 20.704 -6.263 1.00 43.41 C ATOM 1490 O LYS A 93 -4.628 21.601 -5.523 1.00 54.34 O ATOM 1491 CB LYS A 93 -4.874 21.272 -8.681 1.00 54.15 C ATOM 1492 CG LYS A 93 -3.977 21.197 -9.921 1.00 14.21 C ATOM 1493 CD LYS A 93 -4.334 22.335 -10.881 1.00 4.50 C ATOM 1494 CE LYS A 93 -5.776 22.168 -11.372 1.00 33.33 C ATOM 1495 NZ LYS A 93 -6.716 22.683 -10.337 1.00 22.14 N ATOM 0 H LYS A 93 -5.295 18.532 -7.542 1.00 72.45 H new ATOM 0 HA LYS A 93 -3.242 20.586 -7.440 1.00 2.32 H new ATOM 0 HB2 LYS A 93 -5.884 20.949 -8.933 1.00 54.15 H new ATOM 0 HB3 LYS A 93 -4.945 22.303 -8.336 1.00 54.15 H new ATOM 0 HG2 LYS A 93 -2.929 21.269 -9.629 1.00 14.21 H new ATOM 0 HG3 LYS A 93 -4.105 20.235 -10.417 1.00 14.21 H new ATOM 0 HD2 LYS A 93 -4.220 23.296 -10.379 1.00 4.50 H new ATOM 0 HD3 LYS A 93 -3.649 22.336 -11.729 1.00 4.50 H new ATOM 0 HE2 LYS A 93 -5.918 22.708 -12.308 1.00 33.33 H new ATOM 0 HE3 LYS A 93 -5.983 21.117 -11.576 1.00 33.33 H new ATOM 0 HZ1 LYS A 93 -7.179 21.883 -9.860 1.00 22.14 H new ATOM 0 HZ2 LYS A 93 -6.189 23.245 -9.638 1.00 22.14 H new ATOM 0 HZ3 LYS A 93 -7.437 23.281 -10.789 1.00 22.14 H new ATOM 1509 N SER A 94 -6.121 19.977 -5.992 1.00 53.35 N ATOM 1510 CA SER A 94 -6.910 20.206 -4.777 1.00 43.51 C ATOM 1511 C SER A 94 -6.963 18.959 -3.895 1.00 32.43 C ATOM 1512 O SER A 94 -6.529 18.987 -2.743 1.00 70.12 O ATOM 1513 CB SER A 94 -8.334 20.616 -5.158 1.00 31.12 C ATOM 1514 OG SER A 94 -8.283 21.534 -6.241 1.00 62.14 O ATOM 0 H SER A 94 -6.474 19.231 -6.592 1.00 53.35 H new ATOM 0 HA SER A 94 -6.427 21.002 -4.211 1.00 43.51 H new ATOM 0 HB2 SER A 94 -8.915 19.737 -5.438 1.00 31.12 H new ATOM 0 HB3 SER A 94 -8.835 21.071 -4.304 1.00 31.12 H new ATOM 0 HG SER A 94 -8.597 21.094 -7.058 1.00 62.14 H new ATOM 1520 N TYR A 95 -7.500 17.867 -4.437 1.00 15.34 N ATOM 1521 CA TYR A 95 -7.605 16.620 -3.681 1.00 5.52 C ATOM 1522 C TYR A 95 -7.662 15.431 -4.632 1.00 54.54 C ATOM 1523 O TYR A 95 -7.969 15.591 -5.812 1.00 1.12 O ATOM 1524 CB TYR A 95 -8.866 16.641 -2.817 1.00 44.14 C ATOM 1525 CG TYR A 95 -10.047 17.040 -3.667 1.00 23.33 C ATOM 1526 CD1 TYR A 95 -10.690 16.085 -4.464 1.00 54.52 C ATOM 1527 CD2 TYR A 95 -10.500 18.365 -3.662 1.00 23.14 C ATOM 1528 CE1 TYR A 95 -11.785 16.455 -5.254 1.00 52.44 C ATOM 1529 CE2 TYR A 95 -11.594 18.735 -4.452 1.00 51.23 C ATOM 1530 CZ TYR A 95 -12.237 17.780 -5.249 1.00 65.22 C ATOM 1531 OH TYR A 95 -13.316 18.145 -6.028 1.00 65.12 O ATOM 0 H TYR A 95 -7.866 17.820 -5.388 1.00 15.34 H new ATOM 0 HA TYR A 95 -6.728 16.524 -3.041 1.00 5.52 H new ATOM 0 HB2 TYR A 95 -9.036 15.658 -2.377 1.00 44.14 H new ATOM 0 HB3 TYR A 95 -8.744 17.343 -1.992 1.00 44.14 H new ATOM 0 HD1 TYR A 95 -10.341 15.063 -4.469 1.00 54.52 H new ATOM 0 HD2 TYR A 95 -10.004 19.102 -3.048 1.00 23.14 H new ATOM 0 HE1 TYR A 95 -12.281 15.718 -5.868 1.00 52.44 H new ATOM 0 HE2 TYR A 95 -11.942 19.757 -4.447 1.00 51.23 H new ATOM 0 HH TYR A 95 -13.499 19.100 -5.906 1.00 65.12 H new ATOM 1541 N ALA A 96 -7.353 14.237 -4.129 1.00 1.44 N ATOM 1542 CA ALA A 96 -7.370 13.050 -4.981 1.00 22.30 C ATOM 1543 C ALA A 96 -7.751 11.793 -4.207 1.00 13.33 C ATOM 1544 O ALA A 96 -7.356 11.606 -3.057 1.00 32.15 O ATOM 1545 CB ALA A 96 -5.986 12.845 -5.606 1.00 34.42 C ATOM 0 H ALA A 96 -7.093 14.067 -3.157 1.00 1.44 H new ATOM 0 HA ALA A 96 -8.122 13.215 -5.753 1.00 22.30 H new ATOM 0 HB1 ALA A 96 -6.001 11.959 -6.241 1.00 34.42 H new ATOM 0 HB2 ALA A 96 -5.725 13.717 -6.206 1.00 34.42 H new ATOM 0 HB3 ALA A 96 -5.246 12.713 -4.816 1.00 34.42 H new ATOM 1551 N VAL A 97 -8.494 10.916 -4.880 1.00 41.15 N ATOM 1552 CA VAL A 97 -8.907 9.638 -4.297 1.00 53.33 C ATOM 1553 C VAL A 97 -8.292 8.535 -5.138 1.00 34.43 C ATOM 1554 O VAL A 97 -8.497 8.493 -6.351 1.00 45.11 O ATOM 1555 CB VAL A 97 -10.438 9.506 -4.286 1.00 73.01 C ATOM 1556 CG1 VAL A 97 -10.864 8.525 -3.187 1.00 52.51 C ATOM 1557 CG2 VAL A 97 -11.067 10.879 -4.023 1.00 45.23 C ATOM 0 H VAL A 97 -8.824 11.067 -5.833 1.00 41.15 H new ATOM 0 HA VAL A 97 -8.569 9.572 -3.263 1.00 53.33 H new ATOM 0 HB VAL A 97 -10.776 9.131 -5.252 1.00 73.01 H new ATOM 0 HG11 VAL A 97 -11.950 8.434 -3.182 1.00 52.51 H new ATOM 0 HG12 VAL A 97 -10.419 7.549 -3.378 1.00 52.51 H new ATOM 0 HG13 VAL A 97 -10.526 8.894 -2.219 1.00 52.51 H new ATOM 0 HG21 VAL A 97 -12.153 10.786 -4.015 1.00 45.23 H new ATOM 0 HG22 VAL A 97 -10.728 11.256 -3.058 1.00 45.23 H new ATOM 0 HG23 VAL A 97 -10.768 11.573 -4.809 1.00 45.23 H new ATOM 1567 N ILE A 98 -7.492 7.680 -4.516 1.00 64.01 N ATOM 1568 CA ILE A 98 -6.800 6.629 -5.249 1.00 32.23 C ATOM 1569 C ILE A 98 -7.029 5.263 -4.620 1.00 22.44 C ATOM 1570 O ILE A 98 -7.221 5.144 -3.410 1.00 0.24 O ATOM 1571 CB ILE A 98 -5.307 6.957 -5.246 1.00 42.23 C ATOM 1572 CG1 ILE A 98 -5.126 8.465 -5.496 1.00 5.33 C ATOM 1573 CG2 ILE A 98 -4.591 6.162 -6.340 1.00 35.45 C ATOM 1574 CD1 ILE A 98 -3.646 8.830 -5.415 1.00 53.14 C ATOM 0 H ILE A 98 -7.307 7.693 -3.513 1.00 64.01 H new ATOM 0 HA ILE A 98 -7.189 6.587 -6.266 1.00 32.23 H new ATOM 0 HB ILE A 98 -4.878 6.688 -4.281 1.00 42.23 H new ATOM 0 HG12 ILE A 98 -5.522 8.730 -6.476 1.00 5.33 H new ATOM 0 HG13 ILE A 98 -5.691 9.035 -4.759 1.00 5.33 H new ATOM 0 HG21 ILE A 98 -3.528 6.403 -6.329 1.00 35.45 H new ATOM 0 HG22 ILE A 98 -4.723 5.095 -6.160 1.00 35.45 H new ATOM 0 HG23 ILE A 98 -5.011 6.420 -7.312 1.00 35.45 H new ATOM 0 HD11 ILE A 98 -3.525 9.899 -5.593 1.00 53.14 H new ATOM 0 HD12 ILE A 98 -3.264 8.581 -4.425 1.00 53.14 H new ATOM 0 HD13 ILE A 98 -3.092 8.271 -6.169 1.00 53.14 H new ATOM 1586 N TYR A 99 -7.013 4.235 -5.461 1.00 12.11 N ATOM 1587 CA TYR A 99 -7.227 2.870 -4.996 1.00 44.33 C ATOM 1588 C TYR A 99 -5.886 2.187 -4.740 1.00 11.43 C ATOM 1589 O TYR A 99 -5.167 1.827 -5.672 1.00 12.40 O ATOM 1590 CB TYR A 99 -8.014 2.090 -6.057 1.00 52.14 C ATOM 1591 CG TYR A 99 -8.700 0.900 -5.428 1.00 72.42 C ATOM 1592 CD1 TYR A 99 -9.989 1.036 -4.898 1.00 23.34 C ATOM 1593 CD2 TYR A 99 -8.051 -0.339 -5.381 1.00 23.22 C ATOM 1594 CE1 TYR A 99 -10.628 -0.067 -4.322 1.00 31.33 C ATOM 1595 CE2 TYR A 99 -8.690 -1.442 -4.804 1.00 21.51 C ATOM 1596 CZ TYR A 99 -9.980 -1.306 -4.274 1.00 43.45 C ATOM 1597 OH TYR A 99 -10.610 -2.394 -3.706 1.00 3.02 O ATOM 0 H TYR A 99 -6.855 4.320 -6.465 1.00 12.11 H new ATOM 0 HA TYR A 99 -7.793 2.892 -4.065 1.00 44.33 H new ATOM 0 HB2 TYR A 99 -8.754 2.741 -6.523 1.00 52.14 H new ATOM 0 HB3 TYR A 99 -7.341 1.756 -6.847 1.00 52.14 H new ATOM 0 HD1 TYR A 99 -10.490 1.992 -4.934 1.00 23.34 H new ATOM 0 HD2 TYR A 99 -7.057 -0.444 -5.790 1.00 23.22 H new ATOM 0 HE1 TYR A 99 -11.622 0.038 -3.914 1.00 31.33 H new ATOM 0 HE2 TYR A 99 -8.189 -2.398 -4.767 1.00 21.51 H new ATOM 0 HH TYR A 99 -10.301 -3.215 -4.142 1.00 3.02 H new ATOM 1607 N ALA A 100 -5.561 2.022 -3.459 1.00 60.31 N ATOM 1608 CA ALA A 100 -4.302 1.391 -3.063 1.00 51.13 C ATOM 1609 C ALA A 100 -4.541 -0.048 -2.639 1.00 41.03 C ATOM 1610 O ALA A 100 -5.507 -0.347 -1.937 1.00 31.34 O ATOM 1611 CB ALA A 100 -3.662 2.157 -1.902 1.00 1.40 C ATOM 0 H ALA A 100 -6.150 2.315 -2.679 1.00 60.31 H new ATOM 0 HA ALA A 100 -3.630 1.409 -3.921 1.00 51.13 H new ATOM 0 HB1 ALA A 100 -2.726 1.674 -1.620 1.00 1.40 H new ATOM 0 HB2 ALA A 100 -3.463 3.184 -2.209 1.00 1.40 H new ATOM 0 HB3 ALA A 100 -4.341 2.159 -1.049 1.00 1.40 H new ATOM 1617 N THR A 101 -3.654 -0.938 -3.070 1.00 24.01 N ATOM 1618 CA THR A 101 -3.775 -2.349 -2.732 1.00 73.20 C ATOM 1619 C THR A 101 -2.408 -2.959 -2.451 1.00 43.22 C ATOM 1620 O THR A 101 -1.481 -2.841 -3.251 1.00 4.25 O ATOM 1621 CB THR A 101 -4.453 -3.108 -3.877 1.00 75.11 C ATOM 1622 OG1 THR A 101 -4.459 -4.498 -3.583 1.00 62.23 O ATOM 1623 CG2 THR A 101 -3.692 -2.863 -5.181 1.00 74.44 C ATOM 0 H THR A 101 -2.848 -0.708 -3.651 1.00 24.01 H new ATOM 0 HA THR A 101 -4.384 -2.432 -1.832 1.00 73.20 H new ATOM 0 HB THR A 101 -5.478 -2.755 -3.989 1.00 75.11 H new ATOM 0 HG1 THR A 101 -4.751 -4.635 -2.658 1.00 62.23 H new ATOM 0 HG21 THR A 101 -4.177 -3.405 -5.993 1.00 74.44 H new ATOM 0 HG22 THR A 101 -3.690 -1.797 -5.406 1.00 74.44 H new ATOM 0 HG23 THR A 101 -2.665 -3.213 -5.074 1.00 74.44 H new ATOM 1631 N ARG A 102 -2.305 -3.626 -1.308 1.00 61.03 N ATOM 1632 CA ARG A 102 -1.068 -4.284 -0.904 1.00 5.41 C ATOM 1633 C ARG A 102 -1.362 -5.752 -0.647 1.00 54.23 C ATOM 1634 O ARG A 102 -2.330 -6.080 0.046 1.00 15.34 O ATOM 1635 CB ARG A 102 -0.517 -3.631 0.368 1.00 60.00 C ATOM 1636 CG ARG A 102 0.862 -4.209 0.698 1.00 14.52 C ATOM 1637 CD ARG A 102 1.239 -3.839 2.134 1.00 72.51 C ATOM 1638 NE ARG A 102 2.545 -4.392 2.472 1.00 20.24 N ATOM 1639 CZ ARG A 102 3.668 -3.788 2.094 1.00 30.11 C ATOM 1640 NH1 ARG A 102 3.612 -2.679 1.409 1.00 54.53 N ATOM 1641 NH2 ARG A 102 4.824 -4.304 2.409 1.00 50.21 N ATOM 0 H ARG A 102 -3.069 -3.726 -0.640 1.00 61.03 H new ATOM 0 HA ARG A 102 -0.322 -4.187 -1.693 1.00 5.41 H new ATOM 0 HB2 ARG A 102 -0.445 -2.552 0.231 1.00 60.00 H new ATOM 0 HB3 ARG A 102 -1.201 -3.802 1.200 1.00 60.00 H new ATOM 0 HG2 ARG A 102 0.852 -5.293 0.581 1.00 14.52 H new ATOM 0 HG3 ARG A 102 1.607 -3.821 0.003 1.00 14.52 H new ATOM 0 HD2 ARG A 102 1.256 -2.755 2.245 1.00 72.51 H new ATOM 0 HD3 ARG A 102 0.486 -4.219 2.824 1.00 72.51 H new ATOM 0 HE ARG A 102 2.598 -5.258 3.008 1.00 20.24 H new ATOM 0 HH11 ARG A 102 2.708 -2.276 1.164 1.00 54.53 H new ATOM 0 HH12 ARG A 102 4.473 -2.215 1.119 1.00 54.53 H new ATOM 0 HH21 ARG A 102 4.867 -5.171 2.945 1.00 50.21 H new ATOM 0 HH22 ARG A 102 5.685 -3.841 2.119 1.00 50.21 H new ATOM 1655 N VAL A 103 -0.556 -6.641 -1.224 1.00 61.31 N ATOM 1656 CA VAL A 103 -0.783 -8.075 -1.052 1.00 22.05 C ATOM 1657 C VAL A 103 0.418 -8.748 -0.400 1.00 4.11 C ATOM 1658 O VAL A 103 1.505 -8.801 -0.972 1.00 23.25 O ATOM 1659 CB VAL A 103 -1.060 -8.719 -2.415 1.00 35.21 C ATOM 1660 CG1 VAL A 103 0.128 -8.488 -3.357 1.00 4.22 C ATOM 1661 CG2 VAL A 103 -1.286 -10.223 -2.233 1.00 62.12 C ATOM 0 H VAL A 103 0.247 -6.400 -1.805 1.00 61.31 H new ATOM 0 HA VAL A 103 -1.645 -8.209 -0.398 1.00 22.05 H new ATOM 0 HB VAL A 103 -1.951 -8.266 -2.849 1.00 35.21 H new ATOM 0 HG11 VAL A 103 -0.078 -8.949 -4.323 1.00 4.22 H new ATOM 0 HG12 VAL A 103 0.283 -7.417 -3.492 1.00 4.22 H new ATOM 0 HG13 VAL A 103 1.025 -8.933 -2.927 1.00 4.22 H new ATOM 0 HG21 VAL A 103 -1.483 -10.681 -3.202 1.00 62.12 H new ATOM 0 HG22 VAL A 103 -0.397 -10.674 -1.793 1.00 62.12 H new ATOM 0 HG23 VAL A 103 -2.139 -10.386 -1.575 1.00 62.12 H new ATOM 1671 N LYS A 104 0.201 -9.276 0.801 1.00 3.15 N ATOM 1672 CA LYS A 104 1.255 -9.966 1.533 1.00 32.13 C ATOM 1673 C LYS A 104 1.156 -11.462 1.257 1.00 22.11 C ATOM 1674 O LYS A 104 0.167 -11.930 0.693 1.00 10.01 O ATOM 1675 CB LYS A 104 1.115 -9.690 3.042 1.00 14.51 C ATOM 1676 CG LYS A 104 2.501 -9.624 3.704 1.00 2.35 C ATOM 1677 CD LYS A 104 3.086 -8.216 3.553 1.00 64.04 C ATOM 1678 CE LYS A 104 4.414 -8.129 4.308 1.00 0.02 C ATOM 1679 NZ LYS A 104 5.213 -9.361 4.049 1.00 4.41 N ATOM 0 H LYS A 104 -0.695 -9.239 1.287 1.00 3.15 H new ATOM 0 HA LYS A 104 2.229 -9.602 1.205 1.00 32.13 H new ATOM 0 HB2 LYS A 104 0.585 -8.751 3.199 1.00 14.51 H new ATOM 0 HB3 LYS A 104 0.519 -10.475 3.508 1.00 14.51 H new ATOM 0 HG2 LYS A 104 2.422 -9.883 4.760 1.00 2.35 H new ATOM 0 HG3 LYS A 104 3.167 -10.355 3.246 1.00 2.35 H new ATOM 0 HD2 LYS A 104 3.240 -7.986 2.499 1.00 64.04 H new ATOM 0 HD3 LYS A 104 2.386 -7.477 3.942 1.00 64.04 H new ATOM 0 HE2 LYS A 104 4.970 -7.248 3.988 1.00 0.02 H new ATOM 0 HE3 LYS A 104 4.231 -8.019 5.377 1.00 0.02 H new ATOM 0 HZ1 LYS A 104 6.217 -9.171 4.245 1.00 4.41 H new ATOM 0 HZ2 LYS A 104 4.878 -10.128 4.667 1.00 4.41 H new ATOM 0 HZ3 LYS A 104 5.102 -9.644 3.054 1.00 4.41 H new ATOM 1693 N ASP A 105 2.178 -12.210 1.644 1.00 4.52 N ATOM 1694 CA ASP A 105 2.173 -13.647 1.412 1.00 33.04 C ATOM 1695 C ASP A 105 0.974 -14.299 2.096 1.00 40.01 C ATOM 1696 O ASP A 105 0.944 -14.445 3.318 1.00 25.42 O ATOM 1697 CB ASP A 105 3.466 -14.266 1.946 1.00 54.53 C ATOM 1698 CG ASP A 105 4.653 -13.789 1.117 1.00 72.43 C ATOM 1699 OD1 ASP A 105 4.424 -13.226 0.059 1.00 31.34 O ATOM 1700 OD2 ASP A 105 5.775 -13.993 1.552 1.00 4.54 O ATOM 0 H ASP A 105 3.010 -11.853 2.113 1.00 4.52 H new ATOM 0 HA ASP A 105 2.102 -13.822 0.338 1.00 33.04 H new ATOM 0 HB2 ASP A 105 3.607 -13.989 2.991 1.00 54.53 H new ATOM 0 HB3 ASP A 105 3.400 -15.353 1.910 1.00 54.53 H new ATOM 1705 N GLY A 106 -0.004 -14.711 1.289 1.00 64.04 N ATOM 1706 CA GLY A 106 -1.198 -15.374 1.812 1.00 22.21 C ATOM 1707 C GLY A 106 -2.316 -14.385 2.149 1.00 71.13 C ATOM 1708 O GLY A 106 -3.446 -14.799 2.409 1.00 62.32 O ATOM 0 H GLY A 106 0.007 -14.598 0.275 1.00 64.04 H new ATOM 0 HA2 GLY A 106 -1.562 -16.093 1.078 1.00 22.21 H new ATOM 0 HA3 GLY A 106 -0.934 -15.938 2.707 1.00 22.21 H new ATOM 1712 N ARG A 107 -2.004 -13.087 2.162 1.00 52.25 N ATOM 1713 CA ARG A 107 -3.013 -12.072 2.494 1.00 30.51 C ATOM 1714 C ARG A 107 -3.130 -11.011 1.401 1.00 45.05 C ATOM 1715 O ARG A 107 -2.127 -10.525 0.877 1.00 5.05 O ATOM 1716 CB ARG A 107 -2.649 -11.393 3.815 1.00 72.11 C ATOM 1717 CG ARG A 107 -2.406 -12.456 4.888 1.00 50.40 C ATOM 1718 CD ARG A 107 -2.143 -11.773 6.232 1.00 41.32 C ATOM 1719 NE ARG A 107 -1.068 -10.797 6.101 1.00 31.44 N ATOM 1720 CZ ARG A 107 -0.899 -9.834 7.001 1.00 60.31 C ATOM 1721 NH1 ARG A 107 -1.704 -9.751 8.026 1.00 52.42 N ATOM 1722 NH2 ARG A 107 0.070 -8.971 6.861 1.00 73.55 N ATOM 0 H ARG A 107 -1.078 -12.716 1.951 1.00 52.25 H new ATOM 0 HA ARG A 107 -3.974 -12.579 2.582 1.00 30.51 H new ATOM 0 HB2 ARG A 107 -1.757 -10.780 3.687 1.00 72.11 H new ATOM 0 HB3 ARG A 107 -3.452 -10.725 4.126 1.00 72.11 H new ATOM 0 HG2 ARG A 107 -3.271 -13.114 4.966 1.00 50.40 H new ATOM 0 HG3 ARG A 107 -1.555 -13.079 4.612 1.00 50.40 H new ATOM 0 HD2 ARG A 107 -3.050 -11.280 6.581 1.00 41.32 H new ATOM 0 HD3 ARG A 107 -1.877 -12.519 6.981 1.00 41.32 H new ATOM 0 HE ARG A 107 -0.434 -10.854 5.304 1.00 31.44 H new ATOM 0 HH11 ARG A 107 -2.462 -10.425 8.135 1.00 52.42 H new ATOM 0 HH12 ARG A 107 -1.575 -9.012 8.717 1.00 52.42 H new ATOM 0 HH21 ARG A 107 0.698 -9.035 6.060 1.00 73.55 H new ATOM 0 HH22 ARG A 107 0.199 -8.232 7.552 1.00 73.55 H new ATOM 1736 N THR A 108 -4.373 -10.650 1.076 1.00 4.34 N ATOM 1737 CA THR A 108 -4.649 -9.633 0.057 1.00 63.42 C ATOM 1738 C THR A 108 -5.630 -8.601 0.605 1.00 41.25 C ATOM 1739 O THR A 108 -6.597 -8.955 1.279 1.00 23.14 O ATOM 1740 CB THR A 108 -5.242 -10.293 -1.191 1.00 61.41 C ATOM 1741 OG1 THR A 108 -4.383 -11.338 -1.626 1.00 42.34 O ATOM 1742 CG2 THR A 108 -5.386 -9.252 -2.302 1.00 65.12 C ATOM 0 H THR A 108 -5.208 -11.048 1.505 1.00 4.34 H new ATOM 0 HA THR A 108 -3.716 -9.136 -0.208 1.00 63.42 H new ATOM 0 HB THR A 108 -6.223 -10.704 -0.953 1.00 61.41 H new ATOM 0 HG1 THR A 108 -3.953 -11.079 -2.468 1.00 42.34 H new ATOM 0 HG21 THR A 108 -5.808 -9.723 -3.190 1.00 65.12 H new ATOM 0 HG22 THR A 108 -6.046 -8.452 -1.967 1.00 65.12 H new ATOM 0 HG23 THR A 108 -4.407 -8.838 -2.542 1.00 65.12 H new ATOM 1750 N LEU A 109 -5.389 -7.323 0.309 1.00 43.23 N ATOM 1751 CA LEU A 109 -6.292 -6.275 0.790 1.00 64.43 C ATOM 1752 C LEU A 109 -6.281 -5.037 -0.075 1.00 14.32 C ATOM 1753 O LEU A 109 -5.311 -4.747 -0.775 1.00 21.44 O ATOM 1754 CB LEU A 109 -5.934 -5.872 2.220 1.00 3.33 C ATOM 1755 CG LEU A 109 -4.710 -4.925 2.242 1.00 55.33 C ATOM 1756 CD1 LEU A 109 -5.162 -3.449 2.266 1.00 64.01 C ATOM 1757 CD2 LEU A 109 -3.866 -5.218 3.492 1.00 13.03 C ATOM 0 H LEU A 109 -4.599 -6.994 -0.246 1.00 43.23 H new ATOM 0 HA LEU A 109 -7.293 -6.704 0.750 1.00 64.43 H new ATOM 0 HB2 LEU A 109 -6.787 -5.380 2.687 1.00 3.33 H new ATOM 0 HB3 LEU A 109 -5.719 -6.763 2.809 1.00 3.33 H new ATOM 0 HG LEU A 109 -4.120 -5.095 1.342 1.00 55.33 H new ATOM 0 HD11 LEU A 109 -4.286 -2.800 2.281 1.00 64.01 H new ATOM 0 HD12 LEU A 109 -5.756 -3.236 1.377 1.00 64.01 H new ATOM 0 HD13 LEU A 109 -5.764 -3.267 3.157 1.00 64.01 H new ATOM 0 HD21 LEU A 109 -3.002 -4.553 3.512 1.00 13.03 H new ATOM 0 HD22 LEU A 109 -4.470 -5.056 4.385 1.00 13.03 H new ATOM 0 HD23 LEU A 109 -3.526 -6.253 3.467 1.00 13.03 H new ATOM 1769 N HIS A 110 -7.371 -4.290 0.031 1.00 4.52 N ATOM 1770 CA HIS A 110 -7.507 -3.041 -0.690 1.00 62.11 C ATOM 1771 C HIS A 110 -7.871 -1.928 0.288 1.00 21.10 C ATOM 1772 O HIS A 110 -8.394 -2.200 1.369 1.00 1.34 O ATOM 1773 CB HIS A 110 -8.573 -3.161 -1.780 1.00 64.31 C ATOM 1774 CG HIS A 110 -9.778 -3.869 -1.228 1.00 54.24 C ATOM 1775 ND1 HIS A 110 -9.859 -5.252 -1.163 1.00 13.34 N ATOM 1776 CD2 HIS A 110 -10.962 -3.401 -0.712 1.00 63.31 C ATOM 1777 CE1 HIS A 110 -11.052 -5.564 -0.625 1.00 5.01 C ATOM 1778 NE2 HIS A 110 -11.764 -4.474 -0.332 1.00 62.11 N ATOM 0 H HIS A 110 -8.174 -4.532 0.612 1.00 4.52 H new ATOM 0 HA HIS A 110 -6.558 -2.803 -1.170 1.00 62.11 H new ATOM 0 HB2 HIS A 110 -8.853 -2.171 -2.140 1.00 64.31 H new ATOM 0 HB3 HIS A 110 -8.175 -3.710 -2.634 1.00 64.31 H new ATOM 0 HD2 HIS A 110 -11.230 -2.359 -0.616 1.00 63.31 H new ATOM 0 HE1 HIS A 110 -11.392 -6.574 -0.451 1.00 5.01 H new ATOM 0 HE2 HIS A 110 -12.696 -4.435 0.082 1.00 62.11 H new ATOM 1786 N MET A 111 -7.594 -0.677 -0.077 1.00 60.55 N ATOM 1787 CA MET A 111 -7.903 0.445 0.804 1.00 21.20 C ATOM 1788 C MET A 111 -8.024 1.748 0.014 1.00 44.45 C ATOM 1789 O MET A 111 -7.392 1.906 -1.031 1.00 23.21 O ATOM 1790 CB MET A 111 -6.807 0.584 1.867 1.00 70.05 C ATOM 1791 CG MET A 111 -5.508 1.067 1.215 1.00 54.42 C ATOM 1792 SD MET A 111 -4.158 0.952 2.415 1.00 4.41 S ATOM 1793 CE MET A 111 -3.121 2.265 1.724 1.00 62.20 C ATOM 0 H MET A 111 -7.162 -0.418 -0.964 1.00 60.55 H new ATOM 0 HA MET A 111 -8.860 0.248 1.286 1.00 21.20 H new ATOM 0 HB2 MET A 111 -7.122 1.289 2.637 1.00 70.05 H new ATOM 0 HB3 MET A 111 -6.643 -0.374 2.360 1.00 70.05 H new ATOM 0 HG2 MET A 111 -5.282 0.462 0.337 1.00 54.42 H new ATOM 0 HG3 MET A 111 -5.620 2.096 0.873 1.00 54.42 H new ATOM 0 HE1 MET A 111 -2.269 2.440 2.381 1.00 62.20 H new ATOM 0 HE2 MET A 111 -2.764 1.966 0.739 1.00 62.20 H new ATOM 0 HE3 MET A 111 -3.705 3.181 1.636 1.00 62.20 H new ATOM 1803 N MET A 112 -8.812 2.693 0.532 1.00 1.24 N ATOM 1804 CA MET A 112 -8.967 3.991 -0.131 1.00 41.25 C ATOM 1805 C MET A 112 -8.092 5.013 0.581 1.00 62.23 C ATOM 1806 O MET A 112 -8.001 5.007 1.806 1.00 24.34 O ATOM 1807 CB MET A 112 -10.421 4.505 -0.084 1.00 1.31 C ATOM 1808 CG MET A 112 -11.433 3.357 -0.091 1.00 72.30 C ATOM 1809 SD MET A 112 -11.585 2.692 -1.770 1.00 21.22 S ATOM 1810 CE MET A 112 -12.348 4.147 -2.544 1.00 60.13 C ATOM 0 H MET A 112 -9.345 2.588 1.395 1.00 1.24 H new ATOM 0 HA MET A 112 -8.680 3.860 -1.174 1.00 41.25 H new ATOM 0 HB2 MET A 112 -10.564 5.109 0.812 1.00 1.31 H new ATOM 0 HB3 MET A 112 -10.604 5.155 -0.939 1.00 1.31 H new ATOM 0 HG2 MET A 112 -11.113 2.572 0.594 1.00 72.30 H new ATOM 0 HG3 MET A 112 -12.402 3.711 0.260 1.00 72.30 H new ATOM 0 HE1 MET A 112 -13.212 3.836 -3.131 1.00 60.13 H new ATOM 0 HE2 MET A 112 -12.667 4.845 -1.770 1.00 60.13 H new ATOM 0 HE3 MET A 112 -11.623 4.635 -3.196 1.00 60.13 H new ATOM 1820 N ARG A 113 -7.454 5.889 -0.183 1.00 24.51 N ATOM 1821 CA ARG A 113 -6.595 6.910 0.407 1.00 61.01 C ATOM 1822 C ARG A 113 -6.976 8.286 -0.116 1.00 42.32 C ATOM 1823 O ARG A 113 -7.104 8.492 -1.323 1.00 50.01 O ATOM 1824 CB ARG A 113 -5.133 6.598 0.062 1.00 13.15 C ATOM 1825 CG ARG A 113 -4.217 7.776 0.457 1.00 5.41 C ATOM 1826 CD ARG A 113 -3.894 8.650 -0.765 1.00 24.14 C ATOM 1827 NE ARG A 113 -2.703 9.449 -0.500 1.00 43.44 N ATOM 1828 CZ ARG A 113 -2.088 10.112 -1.472 1.00 42.21 C ATOM 1829 NH1 ARG A 113 -2.556 10.073 -2.689 1.00 24.31 N ATOM 1830 NH2 ARG A 113 -1.015 10.807 -1.208 1.00 10.22 N ATOM 0 H ARG A 113 -7.512 5.915 -1.201 1.00 24.51 H new ATOM 0 HA ARG A 113 -6.721 6.908 1.490 1.00 61.01 H new ATOM 0 HB2 ARG A 113 -4.816 5.694 0.582 1.00 13.15 H new ATOM 0 HB3 ARG A 113 -5.040 6.401 -1.006 1.00 13.15 H new ATOM 0 HG2 ARG A 113 -4.704 8.380 1.223 1.00 5.41 H new ATOM 0 HG3 ARG A 113 -3.293 7.394 0.891 1.00 5.41 H new ATOM 0 HD2 ARG A 113 -3.734 8.021 -1.641 1.00 24.14 H new ATOM 0 HD3 ARG A 113 -4.738 9.302 -0.990 1.00 24.14 H new ATOM 0 HE ARG A 113 -2.336 9.499 0.450 1.00 43.44 H new ATOM 0 HH11 ARG A 113 -3.396 9.532 -2.895 1.00 24.31 H new ATOM 0 HH12 ARG A 113 -2.082 10.583 -3.434 1.00 24.31 H new ATOM 0 HH21 ARG A 113 -0.650 10.840 -0.256 1.00 10.22 H new ATOM 0 HH22 ARG A 113 -0.541 11.317 -1.954 1.00 10.22 H new ATOM 1844 N LEU A 114 -7.161 9.228 0.808 1.00 44.05 N ATOM 1845 CA LEU A 114 -7.538 10.592 0.454 1.00 33.01 C ATOM 1846 C LEU A 114 -6.433 11.551 0.858 1.00 22.40 C ATOM 1847 O LEU A 114 -5.989 11.557 2.018 1.00 63.31 O ATOM 1848 CB LEU A 114 -8.828 10.969 1.179 1.00 60.50 C ATOM 1849 CG LEU A 114 -9.222 12.423 0.871 1.00 65.24 C ATOM 1850 CD1 LEU A 114 -9.398 12.611 -0.640 1.00 31.23 C ATOM 1851 CD2 LEU A 114 -10.541 12.746 1.585 1.00 32.04 C ATOM 0 H LEU A 114 -7.055 9.069 1.810 1.00 44.05 H new ATOM 0 HA LEU A 114 -7.693 10.654 -0.623 1.00 33.01 H new ATOM 0 HB2 LEU A 114 -9.631 10.298 0.875 1.00 60.50 H new ATOM 0 HB3 LEU A 114 -8.697 10.843 2.254 1.00 60.50 H new ATOM 0 HG LEU A 114 -8.437 13.093 1.221 1.00 65.24 H new ATOM 0 HD11 LEU A 114 -9.677 13.644 -0.848 1.00 31.23 H new ATOM 0 HD12 LEU A 114 -8.461 12.379 -1.147 1.00 31.23 H new ATOM 0 HD13 LEU A 114 -10.181 11.944 -1.001 1.00 31.23 H new ATOM 0 HD21 LEU A 114 -10.828 13.776 1.372 1.00 32.04 H new ATOM 0 HD22 LEU A 114 -11.321 12.072 1.231 1.00 32.04 H new ATOM 0 HD23 LEU A 114 -10.413 12.620 2.660 1.00 32.04 H new ATOM 1863 N TYR A 115 -5.986 12.345 -0.114 1.00 44.23 N ATOM 1864 CA TYR A 115 -4.914 13.304 0.113 1.00 40.14 C ATOM 1865 C TYR A 115 -5.380 14.730 -0.195 1.00 22.21 C ATOM 1866 O TYR A 115 -6.344 14.939 -0.933 1.00 31.11 O ATOM 1867 CB TYR A 115 -3.702 12.913 -0.771 1.00 72.13 C ATOM 1868 CG TYR A 115 -3.473 13.931 -1.876 1.00 45.11 C ATOM 1869 CD1 TYR A 115 -4.491 14.198 -2.798 1.00 0.14 C ATOM 1870 CD2 TYR A 115 -2.245 14.598 -1.977 1.00 5.33 C ATOM 1871 CE1 TYR A 115 -4.283 15.132 -3.821 1.00 24.35 C ATOM 1872 CE2 TYR A 115 -2.039 15.533 -3.000 1.00 60.25 C ATOM 1873 CZ TYR A 115 -3.058 15.800 -3.921 1.00 33.12 C ATOM 1874 OH TYR A 115 -2.853 16.721 -4.929 1.00 75.14 O ATOM 0 H TYR A 115 -6.352 12.341 -1.066 1.00 44.23 H new ATOM 0 HA TYR A 115 -4.621 13.281 1.163 1.00 40.14 H new ATOM 0 HB2 TYR A 115 -2.808 12.837 -0.153 1.00 72.13 H new ATOM 0 HB3 TYR A 115 -3.871 11.929 -1.209 1.00 72.13 H new ATOM 0 HD1 TYR A 115 -5.438 13.684 -2.721 1.00 0.14 H new ATOM 0 HD2 TYR A 115 -1.458 14.392 -1.267 1.00 5.33 H new ATOM 0 HE1 TYR A 115 -5.069 15.337 -4.533 1.00 24.35 H new ATOM 0 HE2 TYR A 115 -1.093 16.048 -3.078 1.00 60.25 H new ATOM 0 HH TYR A 115 -3.384 16.471 -5.714 1.00 75.14 H new ATOM 1884 N SER A 116 -4.666 15.704 0.364 1.00 70.41 N ATOM 1885 CA SER A 116 -4.975 17.117 0.143 1.00 12.03 C ATOM 1886 C SER A 116 -3.739 17.834 -0.386 1.00 55.25 C ATOM 1887 O SER A 116 -2.615 17.482 -0.032 1.00 2.11 O ATOM 1888 CB SER A 116 -5.425 17.775 1.449 1.00 21.23 C ATOM 1889 OG SER A 116 -5.600 19.169 1.232 1.00 45.04 O ATOM 0 H SER A 116 -3.866 15.541 0.976 1.00 70.41 H new ATOM 0 HA SER A 116 -5.782 17.189 -0.586 1.00 12.03 H new ATOM 0 HB2 SER A 116 -6.358 17.328 1.793 1.00 21.23 H new ATOM 0 HB3 SER A 116 -4.684 17.606 2.230 1.00 21.23 H new ATOM 0 HG SER A 116 -5.546 19.643 2.088 1.00 45.04 H new ATOM 1895 N ARG A 117 -3.942 18.838 -1.230 1.00 43.54 N ATOM 1896 CA ARG A 117 -2.821 19.587 -1.789 1.00 25.41 C ATOM 1897 C ARG A 117 -2.298 20.580 -0.768 1.00 54.24 C ATOM 1898 O ARG A 117 -1.140 20.999 -0.819 1.00 55.14 O ATOM 1899 CB ARG A 117 -3.281 20.341 -3.036 1.00 32.42 C ATOM 1900 CG ARG A 117 -2.128 21.171 -3.620 1.00 15.50 C ATOM 1901 CD ARG A 117 -0.920 20.275 -3.916 1.00 50.14 C ATOM 1902 NE ARG A 117 -0.054 20.906 -4.903 1.00 63.53 N ATOM 1903 CZ ARG A 117 0.673 21.976 -4.596 1.00 63.54 C ATOM 1904 NH1 ARG A 117 0.608 22.484 -3.396 1.00 72.23 N ATOM 1905 NH2 ARG A 117 1.451 22.518 -5.492 1.00 71.13 N ATOM 0 H ARG A 117 -4.862 19.151 -1.541 1.00 43.54 H new ATOM 0 HA ARG A 117 -2.025 18.890 -2.052 1.00 25.41 H new ATOM 0 HB2 ARG A 117 -3.642 19.634 -3.783 1.00 32.42 H new ATOM 0 HB3 ARG A 117 -4.117 20.995 -2.785 1.00 32.42 H new ATOM 0 HG2 ARG A 117 -2.455 21.666 -4.535 1.00 15.50 H new ATOM 0 HG3 ARG A 117 -1.844 21.955 -2.918 1.00 15.50 H new ATOM 0 HD2 ARG A 117 -0.362 20.090 -2.998 1.00 50.14 H new ATOM 0 HD3 ARG A 117 -1.258 19.307 -4.285 1.00 50.14 H new ATOM 0 HE ARG A 117 -0.005 20.520 -5.846 1.00 63.53 H new ATOM 0 HH11 ARG A 117 0.000 22.060 -2.695 1.00 72.23 H new ATOM 0 HH12 ARG A 117 1.165 23.305 -3.159 1.00 72.23 H new ATOM 0 HH21 ARG A 117 1.502 22.121 -6.430 1.00 71.13 H new ATOM 0 HH22 ARG A 117 2.008 23.339 -5.254 1.00 71.13 H new ATOM 1919 N SER A 118 -3.168 20.951 0.158 1.00 24.42 N ATOM 1920 CA SER A 118 -2.819 21.903 1.208 1.00 34.12 C ATOM 1921 C SER A 118 -3.188 21.331 2.580 1.00 61.40 C ATOM 1922 O SER A 118 -4.194 20.635 2.710 1.00 0.21 O ATOM 1923 CB SER A 118 -3.575 23.211 0.976 1.00 11.54 C ATOM 1924 OG SER A 118 -3.242 24.143 1.996 1.00 62.22 O ATOM 0 H SER A 118 -4.127 20.607 0.206 1.00 24.42 H new ATOM 0 HA SER A 118 -1.746 22.090 1.181 1.00 34.12 H new ATOM 0 HB2 SER A 118 -3.321 23.621 -0.002 1.00 11.54 H new ATOM 0 HB3 SER A 118 -4.649 23.026 0.975 1.00 11.54 H new ATOM 0 HG SER A 118 -3.727 24.981 1.844 1.00 62.22 H new ATOM 1930 N PRO A 119 -2.406 21.606 3.598 1.00 14.32 N ATOM 1931 CA PRO A 119 -2.675 21.104 4.975 1.00 30.02 C ATOM 1932 C PRO A 119 -4.168 21.067 5.301 1.00 14.44 C ATOM 1933 O PRO A 119 -4.603 20.310 6.169 1.00 34.41 O ATOM 1934 CB PRO A 119 -1.941 22.115 5.855 1.00 55.11 C ATOM 1935 CG PRO A 119 -0.776 22.574 5.033 1.00 1.31 C ATOM 1936 CD PRO A 119 -1.176 22.419 3.559 1.00 1.25 C ATOM 0 HA PRO A 119 -2.342 20.076 5.117 1.00 30.02 H new ATOM 0 HB2 PRO A 119 -2.589 22.950 6.121 1.00 55.11 H new ATOM 0 HB3 PRO A 119 -1.610 21.659 6.788 1.00 55.11 H new ATOM 0 HG2 PRO A 119 -0.530 23.612 5.259 1.00 1.31 H new ATOM 0 HG3 PRO A 119 0.111 21.981 5.256 1.00 1.31 H new ATOM 0 HD2 PRO A 119 -1.354 23.387 3.091 1.00 1.25 H new ATOM 0 HD3 PRO A 119 -0.392 21.927 2.984 1.00 1.25 H new ATOM 1944 N GLU A 120 -4.946 21.887 4.599 1.00 24.15 N ATOM 1945 CA GLU A 120 -6.383 21.943 4.816 1.00 14.33 C ATOM 1946 C GLU A 120 -7.100 21.004 3.856 1.00 33.04 C ATOM 1947 O GLU A 120 -6.554 20.616 2.824 1.00 2.01 O ATOM 1948 CB GLU A 120 -6.886 23.368 4.591 1.00 72.33 C ATOM 1949 CG GLU A 120 -5.976 24.354 5.327 1.00 42.31 C ATOM 1950 CD GLU A 120 -6.510 25.774 5.170 1.00 41.13 C ATOM 1951 OE1 GLU A 120 -7.473 25.946 4.442 1.00 41.25 O ATOM 1952 OE2 GLU A 120 -5.947 26.668 5.781 1.00 32.14 O ATOM 0 H GLU A 120 -4.603 22.520 3.876 1.00 24.15 H new ATOM 0 HA GLU A 120 -6.591 21.636 5.841 1.00 14.33 H new ATOM 0 HB2 GLU A 120 -6.900 23.596 3.525 1.00 72.33 H new ATOM 0 HB3 GLU A 120 -7.910 23.464 4.951 1.00 72.33 H new ATOM 0 HG2 GLU A 120 -5.921 24.092 6.384 1.00 42.31 H new ATOM 0 HG3 GLU A 120 -4.963 24.292 4.930 1.00 42.31 H new ATOM 1959 N VAL A 121 -8.326 20.650 4.209 1.00 32.41 N ATOM 1960 CA VAL A 121 -9.138 19.754 3.383 1.00 31.23 C ATOM 1961 C VAL A 121 -10.394 20.469 2.895 1.00 11.20 C ATOM 1962 O VAL A 121 -11.087 21.125 3.672 1.00 54.50 O ATOM 1963 CB VAL A 121 -9.535 18.519 4.192 1.00 24.01 C ATOM 1964 CG1 VAL A 121 -10.211 17.501 3.270 1.00 44.14 C ATOM 1965 CG2 VAL A 121 -8.284 17.893 4.812 1.00 23.14 C ATOM 0 H VAL A 121 -8.786 20.967 5.062 1.00 32.41 H new ATOM 0 HA VAL A 121 -8.547 19.449 2.519 1.00 31.23 H new ATOM 0 HB VAL A 121 -10.227 18.809 4.983 1.00 24.01 H new ATOM 0 HG11 VAL A 121 -10.494 16.620 3.846 1.00 44.14 H new ATOM 0 HG12 VAL A 121 -11.102 17.947 2.827 1.00 44.14 H new ATOM 0 HG13 VAL A 121 -9.519 17.210 2.480 1.00 44.14 H new ATOM 0 HG21 VAL A 121 -8.566 17.012 5.389 1.00 23.14 H new ATOM 0 HG22 VAL A 121 -7.592 17.603 4.021 1.00 23.14 H new ATOM 0 HG23 VAL A 121 -7.802 18.618 5.468 1.00 23.14 H new ATOM 1975 N SER A 122 -10.680 20.337 1.603 1.00 22.43 N ATOM 1976 CA SER A 122 -11.858 20.976 1.021 1.00 34.13 C ATOM 1977 C SER A 122 -13.100 20.101 1.232 1.00 33.32 C ATOM 1978 O SER A 122 -13.099 18.930 0.850 1.00 72.35 O ATOM 1979 CB SER A 122 -11.639 21.187 -0.478 1.00 1.24 C ATOM 1980 OG SER A 122 -11.878 19.964 -1.164 1.00 2.34 O ATOM 0 H SER A 122 -10.118 19.799 0.943 1.00 22.43 H new ATOM 0 HA SER A 122 -12.012 21.937 1.512 1.00 34.13 H new ATOM 0 HB2 SER A 122 -12.309 21.963 -0.850 1.00 1.24 H new ATOM 0 HB3 SER A 122 -10.621 21.529 -0.664 1.00 1.24 H new ATOM 0 HG SER A 122 -11.255 19.884 -1.916 1.00 2.34 H new ATOM 1986 N PRO A 123 -14.155 20.623 1.821 1.00 54.42 N ATOM 1987 CA PRO A 123 -15.401 19.835 2.056 1.00 11.10 C ATOM 1988 C PRO A 123 -15.775 18.969 0.854 1.00 22.23 C ATOM 1989 O PRO A 123 -16.429 17.937 0.999 1.00 75.20 O ATOM 1990 CB PRO A 123 -16.459 20.912 2.308 1.00 22.35 C ATOM 1991 CG PRO A 123 -15.709 22.057 2.909 1.00 22.41 C ATOM 1992 CD PRO A 123 -14.288 22.003 2.330 1.00 4.40 C ATOM 0 HA PRO A 123 -15.294 19.131 2.881 1.00 11.10 H new ATOM 0 HB2 PRO A 123 -16.952 21.206 1.381 1.00 22.35 H new ATOM 0 HB3 PRO A 123 -17.236 20.552 2.982 1.00 22.35 H new ATOM 0 HG2 PRO A 123 -16.190 23.005 2.667 1.00 22.41 H new ATOM 0 HG3 PRO A 123 -15.688 21.978 3.996 1.00 22.41 H new ATOM 0 HD2 PRO A 123 -14.154 22.735 1.534 1.00 4.40 H new ATOM 0 HD3 PRO A 123 -13.539 22.220 3.092 1.00 4.40 H new ATOM 2000 N ALA A 124 -15.356 19.399 -0.333 1.00 61.43 N ATOM 2001 CA ALA A 124 -15.654 18.656 -1.553 1.00 54.43 C ATOM 2002 C ALA A 124 -14.785 17.407 -1.649 1.00 24.52 C ATOM 2003 O ALA A 124 -15.203 16.387 -2.198 1.00 33.51 O ATOM 2004 CB ALA A 124 -15.412 19.543 -2.775 1.00 61.51 C ATOM 0 H ALA A 124 -14.814 20.251 -0.476 1.00 61.43 H new ATOM 0 HA ALA A 124 -16.701 18.353 -1.524 1.00 54.43 H new ATOM 0 HB1 ALA A 124 -15.636 18.982 -3.682 1.00 61.51 H new ATOM 0 HB2 ALA A 124 -16.057 20.420 -2.722 1.00 61.51 H new ATOM 0 HB3 ALA A 124 -14.369 19.860 -2.793 1.00 61.51 H new ATOM 2010 N ALA A 125 -13.572 17.495 -1.114 1.00 63.15 N ATOM 2011 CA ALA A 125 -12.648 16.367 -1.145 1.00 32.45 C ATOM 2012 C ALA A 125 -13.178 15.214 -0.298 1.00 51.42 C ATOM 2013 O ALA A 125 -13.110 14.054 -0.698 1.00 53.31 O ATOM 2014 CB ALA A 125 -11.282 16.800 -0.614 1.00 71.13 C ATOM 0 H ALA A 125 -13.207 18.330 -0.656 1.00 63.15 H new ATOM 0 HA ALA A 125 -12.551 16.031 -2.177 1.00 32.45 H new ATOM 0 HB1 ALA A 125 -10.596 15.953 -0.640 1.00 71.13 H new ATOM 0 HB2 ALA A 125 -10.888 17.604 -1.235 1.00 71.13 H new ATOM 0 HB3 ALA A 125 -11.385 17.152 0.412 1.00 71.13 H new ATOM 2020 N THR A 126 -13.710 15.546 0.871 1.00 42.04 N ATOM 2021 CA THR A 126 -14.260 14.534 1.765 1.00 3.13 C ATOM 2022 C THR A 126 -15.601 14.020 1.238 1.00 51.41 C ATOM 2023 O THR A 126 -15.968 12.867 1.465 1.00 54.21 O ATOM 2024 CB THR A 126 -14.423 15.098 3.184 1.00 62.31 C ATOM 2025 OG1 THR A 126 -13.344 15.981 3.462 1.00 4.54 O ATOM 2026 CG2 THR A 126 -14.426 13.957 4.215 1.00 2.32 C ATOM 0 H THR A 126 -13.773 16.502 1.221 1.00 42.04 H new ATOM 0 HA THR A 126 -13.562 13.698 1.804 1.00 3.13 H new ATOM 0 HB THR A 126 -15.370 15.634 3.248 1.00 62.31 H new ATOM 0 HG1 THR A 126 -13.444 16.345 4.366 1.00 4.54 H new ATOM 0 HG21 THR A 126 -14.542 14.372 5.216 1.00 2.32 H new ATOM 0 HG22 THR A 126 -15.253 13.279 4.005 1.00 2.32 H new ATOM 0 HG23 THR A 126 -13.485 13.411 4.156 1.00 2.32 H new ATOM 2034 N ALA A 127 -16.354 14.883 0.562 1.00 65.22 N ATOM 2035 CA ALA A 127 -17.661 14.499 0.039 1.00 34.13 C ATOM 2036 C ALA A 127 -17.551 13.620 -1.204 1.00 11.24 C ATOM 2037 O ALA A 127 -18.188 12.570 -1.282 1.00 55.12 O ATOM 2038 CB ALA A 127 -18.445 15.751 -0.310 1.00 60.02 C ATOM 0 H ALA A 127 -16.084 15.847 0.365 1.00 65.22 H new ATOM 0 HA ALA A 127 -18.169 13.922 0.812 1.00 34.13 H new ATOM 0 HB1 ALA A 127 -19.423 15.471 -0.701 1.00 60.02 H new ATOM 0 HB2 ALA A 127 -18.573 16.361 0.584 1.00 60.02 H new ATOM 0 HB3 ALA A 127 -17.902 16.322 -1.064 1.00 60.02 H new ATOM 2044 N ILE A 128 -16.725 14.029 -2.167 1.00 55.13 N ATOM 2045 CA ILE A 128 -16.546 13.231 -3.365 1.00 51.22 C ATOM 2046 C ILE A 128 -16.055 11.862 -2.923 1.00 20.04 C ATOM 2047 O ILE A 128 -16.474 10.819 -3.427 1.00 2.22 O ATOM 2048 CB ILE A 128 -15.539 13.938 -4.289 1.00 23.31 C ATOM 2049 CG1 ILE A 128 -15.782 13.533 -5.742 1.00 74.21 C ATOM 2050 CG2 ILE A 128 -14.092 13.603 -3.898 1.00 20.33 C ATOM 2051 CD1 ILE A 128 -15.720 12.009 -5.896 1.00 35.30 C ATOM 0 H ILE A 128 -16.182 14.892 -2.137 1.00 55.13 H new ATOM 0 HA ILE A 128 -17.473 13.113 -3.925 1.00 51.22 H new ATOM 0 HB ILE A 128 -15.686 15.013 -4.180 1.00 23.31 H new ATOM 0 HG12 ILE A 128 -16.756 13.897 -6.069 1.00 74.21 H new ATOM 0 HG13 ILE A 128 -15.035 13.999 -6.385 1.00 74.21 H new ATOM 0 HG21 ILE A 128 -13.405 14.118 -4.570 1.00 20.33 H new ATOM 0 HG22 ILE A 128 -13.908 13.926 -2.873 1.00 20.33 H new ATOM 0 HG23 ILE A 128 -13.935 12.527 -3.973 1.00 20.33 H new ATOM 0 HD11 ILE A 128 -15.896 11.741 -6.938 1.00 35.30 H new ATOM 0 HD12 ILE A 128 -14.736 11.652 -5.590 1.00 35.30 H new ATOM 0 HD13 ILE A 128 -16.484 11.549 -5.269 1.00 35.30 H new ATOM 2063 N PHE A 129 -15.178 11.911 -1.937 1.00 13.41 N ATOM 2064 CA PHE A 129 -14.615 10.713 -1.350 1.00 54.25 C ATOM 2065 C PHE A 129 -15.727 9.732 -0.983 1.00 74.13 C ATOM 2066 O PHE A 129 -15.610 8.528 -1.203 1.00 74.52 O ATOM 2067 CB PHE A 129 -13.849 11.074 -0.089 1.00 73.20 C ATOM 2068 CG PHE A 129 -13.264 9.817 0.491 1.00 44.02 C ATOM 2069 CD1 PHE A 129 -14.029 9.025 1.353 1.00 2.04 C ATOM 2070 CD2 PHE A 129 -11.963 9.434 0.156 1.00 32.52 C ATOM 2071 CE1 PHE A 129 -13.489 7.852 1.885 1.00 3.25 C ATOM 2072 CE2 PHE A 129 -11.421 8.260 0.689 1.00 60.31 C ATOM 2073 CZ PHE A 129 -12.186 7.469 1.554 1.00 71.35 C ATOM 0 H PHE A 129 -14.838 12.779 -1.523 1.00 13.41 H new ATOM 0 HA PHE A 129 -13.946 10.251 -2.076 1.00 54.25 H new ATOM 0 HB2 PHE A 129 -13.059 11.789 -0.318 1.00 73.20 H new ATOM 0 HB3 PHE A 129 -14.512 11.551 0.633 1.00 73.20 H new ATOM 0 HD1 PHE A 129 -15.036 9.320 1.607 1.00 2.04 H new ATOM 0 HD2 PHE A 129 -11.376 10.044 -0.514 1.00 32.52 H new ATOM 0 HE1 PHE A 129 -14.078 7.241 2.552 1.00 3.25 H new ATOM 0 HE2 PHE A 129 -10.414 7.964 0.434 1.00 60.31 H new ATOM 0 HZ PHE A 129 -11.769 6.562 1.966 1.00 71.35 H new ATOM 2083 N ARG A 130 -16.800 10.268 -0.405 1.00 22.32 N ATOM 2084 CA ARG A 130 -17.934 9.449 0.016 1.00 74.31 C ATOM 2085 C ARG A 130 -18.712 8.893 -1.180 1.00 62.24 C ATOM 2086 O ARG A 130 -19.192 7.760 -1.138 1.00 75.33 O ATOM 2087 CB ARG A 130 -18.873 10.284 0.895 1.00 71.01 C ATOM 2088 CG ARG A 130 -20.175 9.516 1.146 1.00 0.54 C ATOM 2089 CD ARG A 130 -20.927 10.151 2.317 1.00 74.22 C ATOM 2090 NE ARG A 130 -22.141 9.397 2.607 1.00 34.41 N ATOM 2091 CZ ARG A 130 -23.094 9.899 3.386 1.00 42.40 C ATOM 2092 NH1 ARG A 130 -22.951 11.088 3.906 1.00 72.53 N ATOM 2093 NH2 ARG A 130 -24.171 9.204 3.630 1.00 73.43 N ATOM 0 H ARG A 130 -16.908 11.265 -0.218 1.00 22.32 H new ATOM 0 HA ARG A 130 -17.542 8.603 0.581 1.00 74.31 H new ATOM 0 HB2 ARG A 130 -18.388 10.514 1.844 1.00 71.01 H new ATOM 0 HB3 ARG A 130 -19.090 11.235 0.409 1.00 71.01 H new ATOM 0 HG2 ARG A 130 -20.796 9.531 0.251 1.00 0.54 H new ATOM 0 HG3 ARG A 130 -19.956 8.471 1.365 1.00 0.54 H new ATOM 0 HD2 ARG A 130 -20.287 10.176 3.199 1.00 74.22 H new ATOM 0 HD3 ARG A 130 -21.181 11.184 2.078 1.00 74.22 H new ATOM 0 HE ARG A 130 -22.261 8.467 2.205 1.00 34.41 H new ATOM 0 HH11 ARG A 130 -22.109 11.631 3.714 1.00 72.53 H new ATOM 0 HH12 ARG A 130 -23.682 11.474 4.504 1.00 72.53 H new ATOM 0 HH21 ARG A 130 -24.282 8.275 3.223 1.00 73.43 H new ATOM 0 HH22 ARG A 130 -24.902 9.589 4.228 1.00 73.43 H new ATOM 2107 N LYS A 131 -18.862 9.697 -2.230 1.00 53.31 N ATOM 2108 CA LYS A 131 -19.619 9.261 -3.402 1.00 0.30 C ATOM 2109 C LYS A 131 -19.151 7.893 -3.890 1.00 22.32 C ATOM 2110 O LYS A 131 -19.934 6.943 -3.935 1.00 55.33 O ATOM 2111 CB LYS A 131 -19.464 10.283 -4.529 1.00 73.30 C ATOM 2112 CG LYS A 131 -20.442 9.952 -5.659 1.00 45.43 C ATOM 2113 CD LYS A 131 -20.247 10.940 -6.810 1.00 3.23 C ATOM 2114 CE LYS A 131 -21.288 10.671 -7.896 1.00 41.33 C ATOM 2115 NZ LYS A 131 -22.654 10.897 -7.344 1.00 70.02 N ATOM 0 H LYS A 131 -18.477 10.639 -2.295 1.00 53.31 H new ATOM 0 HA LYS A 131 -20.667 9.182 -3.113 1.00 0.30 H new ATOM 0 HB2 LYS A 131 -19.655 11.288 -4.152 1.00 73.30 H new ATOM 0 HB3 LYS A 131 -18.441 10.273 -4.905 1.00 73.30 H new ATOM 0 HG2 LYS A 131 -20.278 8.933 -6.009 1.00 45.43 H new ATOM 0 HG3 LYS A 131 -21.467 10.002 -5.293 1.00 45.43 H new ATOM 0 HD2 LYS A 131 -20.343 11.963 -6.445 1.00 3.23 H new ATOM 0 HD3 LYS A 131 -19.243 10.841 -7.222 1.00 3.23 H new ATOM 0 HE2 LYS A 131 -21.116 11.327 -8.749 1.00 41.33 H new ATOM 0 HE3 LYS A 131 -21.195 9.647 -8.257 1.00 41.33 H new ATOM 0 HZ1 LYS A 131 -23.310 11.116 -8.120 1.00 70.02 H new ATOM 0 HZ2 LYS A 131 -22.975 10.040 -6.851 1.00 70.02 H new ATOM 0 HZ3 LYS A 131 -22.631 11.693 -6.675 1.00 70.02 H new ATOM 2129 N LEU A 132 -17.878 7.791 -4.256 1.00 1.15 N ATOM 2130 CA LEU A 132 -17.344 6.521 -4.736 1.00 21.42 C ATOM 2131 C LEU A 132 -17.401 5.471 -3.632 1.00 35.51 C ATOM 2132 O LEU A 132 -17.739 4.310 -3.875 1.00 10.52 O ATOM 2133 CB LEU A 132 -15.897 6.694 -5.221 1.00 63.20 C ATOM 2134 CG LEU A 132 -15.070 7.506 -4.192 1.00 22.31 C ATOM 2135 CD1 LEU A 132 -14.070 6.588 -3.481 1.00 35.34 C ATOM 2136 CD2 LEU A 132 -14.302 8.627 -4.907 1.00 60.02 C ATOM 0 H LEU A 132 -17.206 8.558 -4.231 1.00 1.15 H new ATOM 0 HA LEU A 132 -17.956 6.186 -5.574 1.00 21.42 H new ATOM 0 HB2 LEU A 132 -15.439 5.716 -5.373 1.00 63.20 H new ATOM 0 HB3 LEU A 132 -15.889 7.203 -6.185 1.00 63.20 H new ATOM 0 HG LEU A 132 -15.751 7.938 -3.459 1.00 22.31 H new ATOM 0 HD11 LEU A 132 -13.493 7.167 -2.760 1.00 35.34 H new ATOM 0 HD12 LEU A 132 -14.609 5.796 -2.962 1.00 35.34 H new ATOM 0 HD13 LEU A 132 -13.395 6.147 -4.215 1.00 35.34 H new ATOM 0 HD21 LEU A 132 -13.723 9.194 -4.178 1.00 60.02 H new ATOM 0 HD22 LEU A 132 -13.629 8.193 -5.646 1.00 60.02 H new ATOM 0 HD23 LEU A 132 -15.008 9.291 -5.405 1.00 60.02 H new ATOM 2148 N ALA A 133 -17.082 5.886 -2.414 1.00 22.32 N ATOM 2149 CA ALA A 133 -17.113 4.968 -1.287 1.00 1.31 C ATOM 2150 C ALA A 133 -18.509 4.382 -1.122 1.00 12.12 C ATOM 2151 O ALA A 133 -18.660 3.198 -0.819 1.00 70.21 O ATOM 2152 CB ALA A 133 -16.707 5.688 -0.007 1.00 51.15 C ATOM 0 H ALA A 133 -16.802 6.840 -2.184 1.00 22.32 H new ATOM 0 HA ALA A 133 -16.407 4.161 -1.481 1.00 1.31 H new ATOM 0 HB1 ALA A 133 -16.735 4.988 0.828 1.00 51.15 H new ATOM 0 HB2 ALA A 133 -15.697 6.083 -0.116 1.00 51.15 H new ATOM 0 HB3 ALA A 133 -17.399 6.509 0.184 1.00 51.15 H new ATOM 2158 N GLY A 134 -19.533 5.206 -1.341 1.00 74.41 N ATOM 2159 CA GLY A 134 -20.905 4.731 -1.230 1.00 60.30 C ATOM 2160 C GLY A 134 -21.164 3.677 -2.291 1.00 32.05 C ATOM 2161 O GLY A 134 -21.842 2.679 -2.045 1.00 34.25 O ATOM 0 H GLY A 134 -19.438 6.190 -1.592 1.00 74.41 H new ATOM 0 HA2 GLY A 134 -21.077 4.313 -0.238 1.00 60.30 H new ATOM 0 HA3 GLY A 134 -21.600 5.562 -1.351 1.00 60.30 H new ATOM 2165 N GLU A 135 -20.595 3.901 -3.471 1.00 35.20 N ATOM 2166 CA GLU A 135 -20.742 2.958 -4.567 1.00 1.00 C ATOM 2167 C GLU A 135 -20.082 1.641 -4.188 1.00 44.10 C ATOM 2168 O GLU A 135 -20.344 0.603 -4.797 1.00 3.04 O ATOM 2169 CB GLU A 135 -20.101 3.524 -5.839 1.00 54.22 C ATOM 2170 CG GLU A 135 -20.357 2.580 -7.023 1.00 44.15 C ATOM 2171 CD GLU A 135 -19.330 1.449 -7.033 1.00 12.12 C ATOM 2172 OE1 GLU A 135 -18.176 1.720 -6.745 1.00 21.12 O ATOM 2173 OE2 GLU A 135 -19.715 0.330 -7.326 1.00 52.33 O ATOM 0 H GLU A 135 -20.032 4.723 -3.689 1.00 35.20 H new ATOM 0 HA GLU A 135 -21.801 2.789 -4.760 1.00 1.00 H new ATOM 0 HB2 GLU A 135 -20.512 4.510 -6.055 1.00 54.22 H new ATOM 0 HB3 GLU A 135 -19.029 3.651 -5.690 1.00 54.22 H new ATOM 0 HG2 GLU A 135 -21.363 2.166 -6.955 1.00 44.15 H new ATOM 0 HG3 GLU A 135 -20.304 3.137 -7.959 1.00 44.15 H new ATOM 2180 N ARG A 136 -19.236 1.687 -3.156 1.00 13.41 N ATOM 2181 CA ARG A 136 -18.552 0.489 -2.673 1.00 71.42 C ATOM 2182 C ARG A 136 -19.269 -0.055 -1.437 1.00 10.43 C ATOM 2183 O ARG A 136 -18.784 -0.975 -0.778 1.00 13.02 O ATOM 2184 CB ARG A 136 -17.096 0.830 -2.325 1.00 10.13 C ATOM 2185 CG ARG A 136 -16.245 -0.445 -2.332 1.00 20.53 C ATOM 2186 CD ARG A 136 -14.785 -0.083 -2.056 1.00 21.34 C ATOM 2187 NE ARG A 136 -13.955 -1.282 -2.081 1.00 13.15 N ATOM 2188 CZ ARG A 136 -13.698 -1.916 -3.221 1.00 61.11 C ATOM 2189 NH1 ARG A 136 -14.189 -1.466 -4.343 1.00 43.34 N ATOM 2190 NH2 ARG A 136 -12.954 -2.988 -3.217 1.00 30.20 N ATOM 0 H ARG A 136 -19.010 2.538 -2.642 1.00 13.41 H new ATOM 0 HA ARG A 136 -18.565 -0.271 -3.454 1.00 71.42 H new ATOM 0 HB2 ARG A 136 -16.699 1.546 -3.044 1.00 10.13 H new ATOM 0 HB3 ARG A 136 -17.049 1.304 -1.344 1.00 10.13 H new ATOM 0 HG2 ARG A 136 -16.608 -1.142 -1.576 1.00 20.53 H new ATOM 0 HG3 ARG A 136 -16.331 -0.947 -3.296 1.00 20.53 H new ATOM 0 HD2 ARG A 136 -14.432 0.628 -2.803 1.00 21.34 H new ATOM 0 HD3 ARG A 136 -14.701 0.406 -1.085 1.00 21.34 H new ATOM 0 HE ARG A 136 -13.565 -1.640 -1.209 1.00 13.15 H new ATOM 0 HH11 ARG A 136 -14.770 -0.628 -4.346 1.00 43.34 H new ATOM 0 HH12 ARG A 136 -13.992 -1.953 -5.218 1.00 43.34 H new ATOM 0 HH21 ARG A 136 -12.570 -3.339 -2.340 1.00 30.20 H new ATOM 0 HH22 ARG A 136 -12.756 -3.475 -4.091 1.00 30.20 H new ATOM 2204 N ASN A 137 -20.438 0.513 -1.146 1.00 22.44 N ATOM 2205 CA ASN A 137 -21.241 0.075 -0.005 1.00 43.04 C ATOM 2206 C ASN A 137 -20.447 0.119 1.294 1.00 65.41 C ATOM 2207 O ASN A 137 -20.591 -0.754 2.150 1.00 70.42 O ATOM 2208 CB ASN A 137 -21.687 -1.349 -0.238 1.00 74.52 C ATOM 2209 CG ASN A 137 -22.436 -1.455 -1.559 1.00 13.34 C ATOM 2210 OD1 ASN A 137 -23.564 -0.978 -1.675 1.00 22.05 O ATOM 2211 ND2 ASN A 137 -21.873 -2.056 -2.568 1.00 54.24 N ATOM 0 H ASN A 137 -20.850 1.276 -1.683 1.00 22.44 H new ATOM 0 HA ASN A 137 -22.092 0.750 0.085 1.00 43.04 H new ATOM 0 HB2 ASN A 137 -20.822 -2.012 -0.248 1.00 74.52 H new ATOM 0 HB3 ASN A 137 -22.329 -1.675 0.580 1.00 74.52 H new ATOM 0 HD21 ASN A 137 -22.367 -2.132 -3.457 1.00 54.24 H new ATOM 0 HD22 ASN A 137 -20.938 -2.451 -2.469 1.00 54.24 H new ATOM 2218 N TYR A 138 -19.621 1.134 1.438 1.00 42.33 N ATOM 2219 CA TYR A 138 -18.810 1.289 2.645 1.00 30.14 C ATOM 2220 C TYR A 138 -19.601 2.015 3.740 1.00 24.33 C ATOM 2221 O TYR A 138 -20.662 2.583 3.476 1.00 2.51 O ATOM 2222 CB TYR A 138 -17.535 2.080 2.309 1.00 0.24 C ATOM 2223 CG TYR A 138 -17.790 3.561 2.484 1.00 13.53 C ATOM 2224 CD1 TYR A 138 -18.960 4.136 1.967 1.00 30.15 C ATOM 2225 CD2 TYR A 138 -16.869 4.354 3.173 1.00 52.31 C ATOM 2226 CE1 TYR A 138 -19.206 5.502 2.144 1.00 15.32 C ATOM 2227 CE2 TYR A 138 -17.113 5.718 3.344 1.00 51.14 C ATOM 2228 CZ TYR A 138 -18.280 6.294 2.832 1.00 1.13 C ATOM 2229 OH TYR A 138 -18.519 7.641 3.010 1.00 0.33 O ATOM 0 H TYR A 138 -19.488 1.867 0.741 1.00 42.33 H new ATOM 0 HA TYR A 138 -18.540 0.300 3.015 1.00 30.14 H new ATOM 0 HB2 TYR A 138 -16.718 1.763 2.957 1.00 0.24 H new ATOM 0 HB3 TYR A 138 -17.227 1.873 1.284 1.00 0.24 H new ATOM 0 HD1 TYR A 138 -19.671 3.524 1.432 1.00 30.15 H new ATOM 0 HD2 TYR A 138 -15.969 3.912 3.573 1.00 52.31 H new ATOM 0 HE1 TYR A 138 -20.109 5.944 1.750 1.00 15.32 H new ATOM 0 HE2 TYR A 138 -16.398 6.330 3.873 1.00 51.14 H new ATOM 0 HH TYR A 138 -17.777 8.042 3.509 1.00 0.33 H new ATOM 2239 N THR A 139 -19.061 2.016 4.960 1.00 50.00 N ATOM 2240 CA THR A 139 -19.706 2.702 6.089 1.00 34.14 C ATOM 2241 C THR A 139 -18.754 3.753 6.669 1.00 42.01 C ATOM 2242 O THR A 139 -17.540 3.656 6.511 1.00 15.42 O ATOM 2243 CB THR A 139 -20.099 1.692 7.188 1.00 60.30 C ATOM 2244 OG1 THR A 139 -19.147 1.742 8.242 1.00 62.35 O ATOM 2245 CG2 THR A 139 -20.148 0.269 6.615 1.00 3.22 C ATOM 0 H THR A 139 -18.183 1.553 5.194 1.00 50.00 H new ATOM 0 HA THR A 139 -20.611 3.190 5.727 1.00 34.14 H new ATOM 0 HB THR A 139 -21.086 1.955 7.568 1.00 60.30 H new ATOM 0 HG1 THR A 139 -18.730 0.861 8.349 1.00 62.35 H new ATOM 0 HG21 THR A 139 -20.427 -0.431 7.403 1.00 3.22 H new ATOM 0 HG22 THR A 139 -20.885 0.225 5.813 1.00 3.22 H new ATOM 0 HG23 THR A 139 -19.167 0.001 6.222 1.00 3.22 H new ATOM 2253 N ASP A 140 -19.302 4.782 7.304 1.00 40.41 N ATOM 2254 CA ASP A 140 -18.463 5.847 7.849 1.00 14.13 C ATOM 2255 C ASP A 140 -17.259 5.289 8.606 1.00 14.22 C ATOM 2256 O ASP A 140 -16.127 5.696 8.349 1.00 11.03 O ATOM 2257 CB ASP A 140 -19.289 6.733 8.784 1.00 54.23 C ATOM 2258 CG ASP A 140 -18.486 7.970 9.175 1.00 51.04 C ATOM 2259 OD1 ASP A 140 -18.443 8.897 8.383 1.00 5.21 O ATOM 2260 OD2 ASP A 140 -17.928 7.970 10.259 1.00 15.14 O ATOM 0 H ASP A 140 -20.304 4.903 7.454 1.00 40.41 H new ATOM 0 HA ASP A 140 -18.091 6.436 7.011 1.00 14.13 H new ATOM 0 HB2 ASP A 140 -20.215 7.031 8.292 1.00 54.23 H new ATOM 0 HB3 ASP A 140 -19.568 6.173 9.677 1.00 54.23 H new ATOM 2265 N GLU A 141 -17.487 4.384 9.549 1.00 33.12 N ATOM 2266 CA GLU A 141 -16.383 3.830 10.325 1.00 72.05 C ATOM 2267 C GLU A 141 -15.305 3.254 9.411 1.00 22.20 C ATOM 2268 O GLU A 141 -14.165 3.055 9.833 1.00 54.41 O ATOM 2269 CB GLU A 141 -16.903 2.733 11.257 1.00 44.22 C ATOM 2270 CG GLU A 141 -15.831 2.389 12.293 1.00 43.34 C ATOM 2271 CD GLU A 141 -16.351 1.318 13.246 1.00 64.11 C ATOM 2272 OE1 GLU A 141 -17.476 0.884 13.059 1.00 23.12 O ATOM 2273 OE2 GLU A 141 -15.617 0.948 14.147 1.00 33.43 O ATOM 0 H GLU A 141 -18.409 4.022 9.793 1.00 33.12 H new ATOM 0 HA GLU A 141 -15.943 4.635 10.913 1.00 72.05 H new ATOM 0 HB2 GLU A 141 -17.812 3.067 11.757 1.00 44.22 H new ATOM 0 HB3 GLU A 141 -17.164 1.846 10.680 1.00 44.22 H new ATOM 0 HG2 GLU A 141 -14.930 2.035 11.792 1.00 43.34 H new ATOM 0 HG3 GLU A 141 -15.555 3.282 12.853 1.00 43.34 H new ATOM 2280 N MET A 142 -15.667 2.981 8.163 1.00 62.22 N ATOM 2281 CA MET A 142 -14.713 2.417 7.215 1.00 23.02 C ATOM 2282 C MET A 142 -13.770 3.487 6.688 1.00 24.22 C ATOM 2283 O MET A 142 -12.730 3.173 6.120 1.00 74.13 O ATOM 2284 CB MET A 142 -15.454 1.770 6.051 1.00 34.54 C ATOM 2285 CG MET A 142 -16.569 0.865 6.595 1.00 74.15 C ATOM 2286 SD MET A 142 -16.787 -0.550 5.491 1.00 71.42 S ATOM 2287 CE MET A 142 -15.168 -1.299 5.782 1.00 54.20 C ATOM 0 H MET A 142 -16.602 3.138 7.787 1.00 62.22 H new ATOM 0 HA MET A 142 -14.124 1.663 7.736 1.00 23.02 H new ATOM 0 HB2 MET A 142 -15.877 2.538 5.403 1.00 34.54 H new ATOM 0 HB3 MET A 142 -14.761 1.187 5.444 1.00 34.54 H new ATOM 0 HG2 MET A 142 -16.317 0.522 7.598 1.00 74.15 H new ATOM 0 HG3 MET A 142 -17.501 1.425 6.674 1.00 74.15 H new ATOM 0 HE1 MET A 142 -15.206 -2.358 5.528 1.00 54.20 H new ATOM 0 HE2 MET A 142 -14.421 -0.803 5.162 1.00 54.20 H new ATOM 0 HE3 MET A 142 -14.899 -1.188 6.832 1.00 54.20 H new ATOM 2297 N VAL A 143 -14.123 4.746 6.918 1.00 34.03 N ATOM 2298 CA VAL A 143 -13.273 5.871 6.496 1.00 3.01 C ATOM 2299 C VAL A 143 -12.968 6.764 7.692 1.00 24.33 C ATOM 2300 O VAL A 143 -13.873 7.171 8.421 1.00 31.23 O ATOM 2301 CB VAL A 143 -13.941 6.698 5.379 1.00 62.14 C ATOM 2302 CG1 VAL A 143 -15.192 7.413 5.908 1.00 51.21 C ATOM 2303 CG2 VAL A 143 -12.944 7.743 4.845 1.00 74.23 C ATOM 0 H VAL A 143 -14.984 5.020 7.390 1.00 34.03 H new ATOM 0 HA VAL A 143 -12.345 5.461 6.098 1.00 3.01 H new ATOM 0 HB VAL A 143 -14.236 6.022 4.576 1.00 62.14 H new ATOM 0 HG11 VAL A 143 -15.648 7.991 5.104 1.00 51.21 H new ATOM 0 HG12 VAL A 143 -15.905 6.675 6.274 1.00 51.21 H new ATOM 0 HG13 VAL A 143 -14.912 8.082 6.722 1.00 51.21 H new ATOM 0 HG21 VAL A 143 -13.417 8.327 4.056 1.00 74.23 H new ATOM 0 HG22 VAL A 143 -12.643 8.406 5.656 1.00 74.23 H new ATOM 0 HG23 VAL A 143 -12.066 7.237 4.445 1.00 74.23 H new ATOM 2313 N ALA A 144 -11.684 7.039 7.917 1.00 50.10 N ATOM 2314 CA ALA A 144 -11.283 7.862 9.058 1.00 61.10 C ATOM 2315 C ALA A 144 -10.534 9.123 8.617 1.00 63.34 C ATOM 2316 O ALA A 144 -9.469 9.043 7.996 1.00 73.51 O ATOM 2317 CB ALA A 144 -10.392 7.037 9.991 1.00 1.35 C ATOM 0 H ALA A 144 -10.914 6.710 7.335 1.00 50.10 H new ATOM 0 HA ALA A 144 -12.187 8.177 9.579 1.00 61.10 H new ATOM 0 HB1 ALA A 144 -10.092 7.648 10.842 1.00 1.35 H new ATOM 0 HB2 ALA A 144 -10.944 6.167 10.346 1.00 1.35 H new ATOM 0 HB3 ALA A 144 -9.505 6.708 9.450 1.00 1.35 H new ATOM 2323 N MET A 145 -11.100 10.282 8.968 1.00 5.25 N ATOM 2324 CA MET A 145 -10.530 11.551 8.665 1.00 54.31 C ATOM 2325 C MET A 145 -9.487 11.862 9.744 1.00 61.24 C ATOM 2326 O MET A 145 -9.641 11.438 10.890 1.00 14.51 O ATOM 2327 CB MET A 145 -11.694 12.550 8.663 1.00 10.52 C ATOM 2328 CG MET A 145 -11.186 13.963 8.887 1.00 52.54 C ATOM 2329 SD MET A 145 -11.985 15.106 7.727 1.00 52.11 S ATOM 2330 CE MET A 145 -11.347 14.374 6.197 1.00 14.23 C ATOM 0 H MET A 145 -11.981 10.340 9.478 1.00 5.25 H new ATOM 0 HA MET A 145 -10.025 11.590 7.700 1.00 54.31 H new ATOM 0 HB2 MET A 145 -12.226 12.495 7.713 1.00 10.52 H new ATOM 0 HB3 MET A 145 -12.408 12.286 9.443 1.00 10.52 H new ATOM 0 HG2 MET A 145 -11.389 14.272 9.912 1.00 52.54 H new ATOM 0 HG3 MET A 145 -10.105 13.994 8.753 1.00 52.54 H new ATOM 0 HE1 MET A 145 -11.229 15.152 5.443 1.00 14.23 H new ATOM 0 HE2 MET A 145 -10.381 13.908 6.392 1.00 14.23 H new ATOM 0 HE3 MET A 145 -12.047 13.621 5.835 1.00 14.23 H new ATOM 2340 N LEU A 146 -8.409 12.563 9.375 1.00 73.10 N ATOM 2341 CA LEU A 146 -7.350 12.864 10.310 1.00 72.43 C ATOM 2342 C LEU A 146 -7.140 14.387 10.456 1.00 21.12 C ATOM 2343 O LEU A 146 -7.170 15.116 9.464 1.00 51.00 O ATOM 2344 CB LEU A 146 -6.091 12.172 9.760 1.00 14.35 C ATOM 2345 CG LEU A 146 -5.311 11.484 10.870 1.00 51.13 C ATOM 2346 CD1 LEU A 146 -6.197 10.535 11.696 1.00 53.34 C ATOM 2347 CD2 LEU A 146 -4.176 10.678 10.260 1.00 65.41 C ATOM 0 H LEU A 146 -8.259 12.927 8.434 1.00 73.10 H new ATOM 0 HA LEU A 146 -7.593 12.504 11.310 1.00 72.43 H new ATOM 0 HB2 LEU A 146 -6.376 11.440 9.005 1.00 14.35 H new ATOM 0 HB3 LEU A 146 -5.455 12.907 9.267 1.00 14.35 H new ATOM 0 HG LEU A 146 -4.929 12.260 11.534 1.00 51.13 H new ATOM 0 HD11 LEU A 146 -5.598 10.066 12.477 1.00 53.34 H new ATOM 0 HD12 LEU A 146 -7.010 11.101 12.152 1.00 53.34 H new ATOM 0 HD13 LEU A 146 -6.612 9.765 11.045 1.00 53.34 H new ATOM 0 HD21 LEU A 146 -3.614 10.183 11.052 1.00 65.41 H new ATOM 0 HD22 LEU A 146 -4.585 9.928 9.583 1.00 65.41 H new ATOM 0 HD23 LEU A 146 -3.513 11.344 9.707 1.00 65.41 H new ATOM 2359 N PRO A 147 -6.934 14.879 11.670 1.00 43.31 N ATOM 2360 CA PRO A 147 -6.724 16.343 11.935 1.00 22.33 C ATOM 2361 C PRO A 147 -5.388 16.854 11.391 1.00 64.42 C ATOM 2362 O PRO A 147 -4.450 16.083 11.205 1.00 52.10 O ATOM 2363 CB PRO A 147 -6.760 16.438 13.465 1.00 61.44 C ATOM 2364 CG PRO A 147 -6.308 15.097 13.929 1.00 55.51 C ATOM 2365 CD PRO A 147 -6.879 14.106 12.927 1.00 41.15 C ATOM 0 HA PRO A 147 -7.477 16.957 11.441 1.00 22.33 H new ATOM 0 HB2 PRO A 147 -6.103 17.227 13.830 1.00 61.44 H new ATOM 0 HB3 PRO A 147 -7.763 16.666 13.826 1.00 61.44 H new ATOM 0 HG2 PRO A 147 -5.220 15.039 13.961 1.00 55.51 H new ATOM 0 HG3 PRO A 147 -6.668 14.888 14.936 1.00 55.51 H new ATOM 0 HD2 PRO A 147 -6.245 13.225 12.829 1.00 41.15 H new ATOM 0 HD3 PRO A 147 -7.867 13.756 13.227 1.00 41.15 H new ATOM 2373 N ARG A 148 -5.322 18.160 11.136 1.00 24.45 N ATOM 2374 CA ARG A 148 -4.110 18.782 10.601 1.00 40.13 C ATOM 2375 C ARG A 148 -2.906 18.565 11.516 1.00 1.43 C ATOM 2376 O ARG A 148 -1.762 18.682 11.077 1.00 11.51 O ATOM 2377 CB ARG A 148 -4.340 20.283 10.418 1.00 12.42 C ATOM 2378 CG ARG A 148 -5.431 20.507 9.369 1.00 5.50 C ATOM 2379 CD ARG A 148 -5.516 21.996 9.030 1.00 73.34 C ATOM 2380 NE ARG A 148 -5.744 22.778 10.239 1.00 41.10 N ATOM 2381 CZ ARG A 148 -6.215 24.020 10.176 1.00 22.24 C ATOM 2382 NH1 ARG A 148 -6.481 24.559 9.017 1.00 43.03 N ATOM 2383 NH2 ARG A 148 -6.411 24.701 11.271 1.00 2.03 N ATOM 0 H ARG A 148 -6.094 18.809 11.291 1.00 24.45 H new ATOM 0 HA ARG A 148 -3.894 18.312 9.642 1.00 40.13 H new ATOM 0 HB2 ARG A 148 -4.633 20.735 11.366 1.00 12.42 H new ATOM 0 HB3 ARG A 148 -3.415 20.768 10.106 1.00 12.42 H new ATOM 0 HG2 ARG A 148 -5.210 19.931 8.471 1.00 5.50 H new ATOM 0 HG3 ARG A 148 -6.391 20.154 9.746 1.00 5.50 H new ATOM 0 HD2 ARG A 148 -4.593 22.319 8.548 1.00 73.34 H new ATOM 0 HD3 ARG A 148 -6.324 22.169 8.319 1.00 73.34 H new ATOM 0 HE ARG A 148 -5.539 22.365 11.149 1.00 41.10 H new ATOM 0 HH11 ARG A 148 -6.328 24.027 8.160 1.00 43.03 H new ATOM 0 HH12 ARG A 148 -6.842 25.512 8.968 1.00 43.03 H new ATOM 0 HH21 ARG A 148 -6.203 24.281 12.177 1.00 2.03 H new ATOM 0 HH22 ARG A 148 -6.772 25.654 11.221 1.00 2.03 H new ATOM 2397 N GLN A 149 -3.161 18.255 12.784 1.00 52.04 N ATOM 2398 CA GLN A 149 -2.074 18.035 13.738 1.00 51.24 C ATOM 2399 C GLN A 149 -0.933 17.249 13.092 1.00 22.35 C ATOM 2400 O GLN A 149 -1.166 16.270 12.384 1.00 42.24 O ATOM 2401 CB GLN A 149 -2.597 17.269 14.955 1.00 64.14 C ATOM 2402 CG GLN A 149 -3.663 18.105 15.666 1.00 54.21 C ATOM 2403 CD GLN A 149 -3.022 19.334 16.302 1.00 0.01 C ATOM 2404 OE1 GLN A 149 -3.375 20.464 15.966 1.00 53.34 O ATOM 2405 NE2 GLN A 149 -2.095 19.180 17.208 1.00 65.01 N ATOM 0 H GLN A 149 -4.098 18.151 13.173 1.00 52.04 H new ATOM 0 HA GLN A 149 -1.693 19.007 14.052 1.00 51.24 H new ATOM 0 HB2 GLN A 149 -3.018 16.313 14.643 1.00 64.14 H new ATOM 0 HB3 GLN A 149 -1.777 17.048 15.639 1.00 64.14 H new ATOM 0 HG2 GLN A 149 -4.431 18.411 14.955 1.00 54.21 H new ATOM 0 HG3 GLN A 149 -4.157 17.506 16.430 1.00 54.21 H new ATOM 0 HE21 GLN A 149 -1.804 18.243 17.485 1.00 65.01 H new ATOM 0 HE22 GLN A 149 -1.662 19.997 17.639 1.00 65.01 H new ATOM 2414 N GLU A 150 0.302 17.696 13.325 1.00 14.32 N ATOM 2415 CA GLU A 150 1.478 17.037 12.750 1.00 22.54 C ATOM 2416 C GLU A 150 2.546 16.799 13.815 1.00 35.50 C ATOM 2417 O GLU A 150 2.753 17.631 14.698 1.00 24.24 O ATOM 2418 CB GLU A 150 2.062 17.908 11.635 1.00 54.11 C ATOM 2419 CG GLU A 150 2.583 19.218 12.228 1.00 42.13 C ATOM 2420 CD GLU A 150 2.919 20.198 11.111 1.00 70.14 C ATOM 2421 OE1 GLU A 150 2.834 19.806 9.959 1.00 41.35 O ATOM 2422 OE2 GLU A 150 3.256 21.329 11.423 1.00 23.40 O ATOM 0 H GLU A 150 0.515 18.508 13.905 1.00 14.32 H new ATOM 0 HA GLU A 150 1.167 16.073 12.346 1.00 22.54 H new ATOM 0 HB2 GLU A 150 2.870 17.378 11.131 1.00 54.11 H new ATOM 0 HB3 GLU A 150 1.300 18.115 10.884 1.00 54.11 H new ATOM 0 HG2 GLU A 150 1.833 19.651 12.890 1.00 42.13 H new ATOM 0 HG3 GLU A 150 3.469 19.026 12.833 1.00 42.13 H new ATOM 2429 N GLU A 151 3.237 15.662 13.711 1.00 13.22 N ATOM 2430 CA GLU A 151 4.303 15.320 14.652 1.00 5.20 C ATOM 2431 C GLU A 151 5.580 15.028 13.877 1.00 62.25 C ATOM 2432 O GLU A 151 6.685 15.319 14.336 1.00 35.11 O ATOM 2433 CB GLU A 151 3.907 14.093 15.476 1.00 73.21 C ATOM 2434 CG GLU A 151 2.645 14.403 16.282 1.00 32.44 C ATOM 2435 CD GLU A 151 2.949 15.459 17.341 1.00 42.03 C ATOM 2436 OE1 GLU A 151 4.118 15.688 17.603 1.00 21.23 O ATOM 2437 OE2 GLU A 151 2.007 16.021 17.875 1.00 62.45 O ATOM 0 H GLU A 151 3.077 14.964 12.985 1.00 13.22 H new ATOM 0 HA GLU A 151 4.467 16.158 15.329 1.00 5.20 H new ATOM 0 HB2 GLU A 151 3.731 13.242 14.818 1.00 73.21 H new ATOM 0 HB3 GLU A 151 4.720 13.815 16.147 1.00 73.21 H new ATOM 0 HG2 GLU A 151 1.857 14.758 15.618 1.00 32.44 H new ATOM 0 HG3 GLU A 151 2.275 13.495 16.758 1.00 32.44 H new ATOM 2444 N CYS A 152 5.409 14.460 12.686 1.00 3.20 N ATOM 2445 CA CYS A 152 6.534 14.130 11.816 1.00 62.35 C ATOM 2446 C CYS A 152 6.306 14.725 10.433 1.00 44.42 C ATOM 2447 O CYS A 152 5.170 14.819 9.975 1.00 52.44 O ATOM 2448 CB CYS A 152 6.674 12.615 11.693 1.00 21.15 C ATOM 2449 SG CYS A 152 7.131 11.915 13.297 1.00 44.34 S ATOM 0 H CYS A 152 4.497 14.218 12.300 1.00 3.20 H new ATOM 0 HA CYS A 152 7.445 14.543 12.248 1.00 62.35 H new ATOM 0 HB2 CYS A 152 5.736 12.180 11.349 1.00 21.15 H new ATOM 0 HB3 CYS A 152 7.431 12.369 10.949 1.00 21.15 H new ATOM 2454 N THR A 153 7.387 15.121 9.769 1.00 64.12 N ATOM 2455 CA THR A 153 7.281 15.707 8.434 1.00 72.34 C ATOM 2456 C THR A 153 8.504 15.346 7.593 1.00 62.12 C ATOM 2457 O THR A 153 9.566 15.035 8.130 1.00 12.01 O ATOM 2458 CB THR A 153 7.161 17.230 8.543 1.00 53.15 C ATOM 2459 OG1 THR A 153 8.412 17.774 8.938 1.00 44.01 O ATOM 2460 CG2 THR A 153 6.094 17.594 9.581 1.00 12.22 C ATOM 0 H THR A 153 8.339 15.049 10.128 1.00 64.12 H new ATOM 0 HA THR A 153 6.391 15.307 7.948 1.00 72.34 H new ATOM 0 HB THR A 153 6.873 17.639 7.575 1.00 53.15 H new ATOM 0 HG1 THR A 153 8.338 18.749 9.007 1.00 44.01 H new ATOM 0 HG21 THR A 153 6.013 18.678 9.654 1.00 12.22 H new ATOM 0 HG22 THR A 153 5.134 17.178 9.277 1.00 12.22 H new ATOM 0 HG23 THR A 153 6.376 17.185 10.551 1.00 12.22 H new ATOM 2468 N VAL A 154 8.349 15.398 6.272 1.00 51.52 N ATOM 2469 CA VAL A 154 9.433 15.088 5.374 1.00 60.43 C ATOM 2470 C VAL A 154 10.481 16.185 5.428 1.00 12.12 C ATOM 2471 O VAL A 154 10.207 17.305 5.858 1.00 35.22 O ATOM 2472 CB VAL A 154 8.906 14.960 3.941 1.00 1.14 C ATOM 2473 CG1 VAL A 154 7.632 14.108 3.919 1.00 44.43 C ATOM 2474 CG2 VAL A 154 8.605 16.355 3.375 1.00 71.22 C ATOM 0 H VAL A 154 7.477 15.654 5.809 1.00 51.52 H new ATOM 0 HA VAL A 154 9.882 14.143 5.680 1.00 60.43 H new ATOM 0 HB VAL A 154 9.665 14.475 3.327 1.00 1.14 H new ATOM 0 HG11 VAL A 154 7.268 14.025 2.895 1.00 44.43 H new ATOM 0 HG12 VAL A 154 7.852 13.114 4.308 1.00 44.43 H new ATOM 0 HG13 VAL A 154 6.869 14.579 4.539 1.00 44.43 H new ATOM 0 HG21 VAL A 154 8.230 16.261 2.356 1.00 71.22 H new ATOM 0 HG22 VAL A 154 7.853 16.844 3.994 1.00 71.22 H new ATOM 0 HG23 VAL A 154 9.517 16.951 3.373 1.00 71.22 H new ATOM 2484 N ASP A 155 11.671 15.856 4.972 1.00 24.30 N ATOM 2485 CA ASP A 155 12.757 16.823 4.952 1.00 21.03 C ATOM 2486 C ASP A 155 12.582 17.792 3.800 1.00 14.50 C ATOM 2487 O ASP A 155 11.787 17.573 2.887 1.00 4.23 O ATOM 2488 CB ASP A 155 14.115 16.139 4.833 1.00 61.34 C ATOM 2489 CG ASP A 155 15.220 17.176 4.657 1.00 71.00 C ATOM 2490 OD1 ASP A 155 15.465 17.917 5.596 1.00 62.01 O ATOM 2491 OD2 ASP A 155 15.805 17.215 3.588 1.00 31.41 O ATOM 0 H ASP A 155 11.914 14.933 4.611 1.00 24.30 H new ATOM 0 HA ASP A 155 12.725 17.366 5.897 1.00 21.03 H new ATOM 0 HB2 ASP A 155 14.307 15.541 5.724 1.00 61.34 H new ATOM 0 HB3 ASP A 155 14.111 15.455 3.985 1.00 61.34 H new ATOM 2496 N GLU A 156 13.338 18.861 3.871 1.00 2.41 N ATOM 2497 CA GLU A 156 13.298 19.903 2.849 1.00 53.24 C ATOM 2498 C GLU A 156 13.804 19.370 1.512 1.00 51.24 C ATOM 2499 O GLU A 156 13.503 19.931 0.458 1.00 33.03 O ATOM 2500 CB GLU A 156 14.154 21.094 3.285 1.00 2.32 C ATOM 2501 CG GLU A 156 15.613 20.655 3.420 1.00 20.22 C ATOM 2502 CD GLU A 156 16.440 21.780 4.032 1.00 12.41 C ATOM 2503 OE1 GLU A 156 15.884 22.842 4.258 1.00 14.01 O ATOM 2504 OE2 GLU A 156 17.618 21.563 4.266 1.00 74.02 O ATOM 0 H GLU A 156 13.997 19.041 4.629 1.00 2.41 H new ATOM 0 HA GLU A 156 12.263 20.224 2.727 1.00 53.24 H new ATOM 0 HB2 GLU A 156 14.072 21.900 2.556 1.00 2.32 H new ATOM 0 HB3 GLU A 156 13.792 21.486 4.235 1.00 2.32 H new ATOM 0 HG2 GLU A 156 15.677 19.764 4.044 1.00 20.22 H new ATOM 0 HG3 GLU A 156 16.013 20.388 2.442 1.00 20.22 H new ATOM 2511 N VAL A 157 14.573 18.288 1.561 1.00 61.44 N ATOM 2512 CA VAL A 157 15.115 17.693 0.343 1.00 35.44 C ATOM 2513 C VAL A 157 14.037 17.596 -0.733 1.00 20.22 C ATOM 2514 O VAL A 157 12.870 17.607 -0.378 1.00 63.22 O ATOM 2515 CB VAL A 157 15.667 16.298 0.643 1.00 74.44 C ATOM 2516 CG1 VAL A 157 14.514 15.358 1.007 1.00 13.45 C ATOM 2517 CG2 VAL A 157 16.390 15.760 -0.594 1.00 24.25 C ATOM 2518 OXT VAL A 157 14.396 17.513 -1.896 1.00 63.22 O ATOM 0 H VAL A 157 14.834 17.808 2.422 1.00 61.44 H new ATOM 0 HA VAL A 157 15.920 18.331 -0.022 1.00 35.44 H new ATOM 0 HB VAL A 157 16.365 16.356 1.478 1.00 74.44 H new ATOM 0 HG11 VAL A 157 14.908 14.364 1.221 1.00 13.45 H new ATOM 0 HG12 VAL A 157 13.997 15.740 1.887 1.00 13.45 H new ATOM 0 HG13 VAL A 157 13.815 15.299 0.173 1.00 13.45 H new ATOM 0 HG21 VAL A 157 16.784 14.766 -0.382 1.00 24.25 H new ATOM 0 HG22 VAL A 157 15.691 15.703 -1.428 1.00 24.25 H new ATOM 0 HG23 VAL A 157 17.211 16.428 -0.855 1.00 24.25 H new TER 2528 VAL A 157 HETATM 2529 O6 EB4 A 200 1.672 3.231 3.278 1.00 20.00 O HETATM 2530 O4 EB4 A 200 0.601 1.428 2.420 1.00 20.00 O HETATM 2531 O5 EB4 A 200 2.932 1.518 2.606 1.00 20.00 O HETATM 2532 N1 EB4 A 200 -0.219 -1.919 5.857 1.00 20.00 N HETATM 2533 C5 EB4 A 200 4.006 0.708 2.809 1.00 20.00 C HETATM 2534 C4 EB4 A 200 -0.296 0.407 2.420 1.00 20.00 C HETATM 2535 C1 EB4 A 200 -0.270 -0.374 3.571 1.00 20.00 C HETATM 2536 C2 EB4 A 200 4.159 0.248 4.111 1.00 20.00 C HETATM 2537 C6 EB4 A 200 1.150 4.028 4.249 1.00 20.00 C HETATM 2538 C8 EB4 A 200 4.917 0.331 1.829 1.00 20.00 C HETATM 2539 N2 EB4 A 200 4.344 -0.810 6.559 1.00 20.00 N HETATM 2540 C9 EB4 A 200 0.703 5.330 4.055 1.00 20.00 C HETATM 2541 C10 EB4 A 200 -2.058 -0.975 1.528 1.00 20.00 C HETATM 2542 O3 EB4 A 200 1.496 2.154 5.572 1.00 20.00 O HETATM 2543 N3 EB4 A 200 0.805 2.266 8.005 1.00 20.00 N HETATM 2544 C16 EB4 A 200 -1.138 -1.453 3.699 1.00 20.00 C HETATM 2545 C7 EB4 A 200 -1.192 0.104 1.400 1.00 20.00 C HETATM 2546 C3 EB4 A 200 1.081 3.448 5.511 1.00 20.00 C HETATM 2547 C11 EB4 A 200 5.980 -0.505 2.153 1.00 20.00 C HETATM 2548 O1 EB4 A 200 0.645 0.018 4.497 1.00 20.00 O HETATM 2549 O2 EB4 A 200 3.216 0.674 4.993 1.00 20.00 O HETATM 2550 C12 EB4 A 200 0.219 6.062 5.132 1.00 20.00 C HETATM 2551 C15 EB4 A 200 0.182 5.494 6.400 1.00 20.00 C HETATM 2552 C14 EB4 A 200 6.132 -0.964 3.456 1.00 20.00 C HETATM 2553 C13 EB4 A 200 -2.032 -1.754 2.678 1.00 20.00 C HETATM 2554 O7 EB4 A 200 -1.874 -3.249 5.058 1.00 20.00 O HETATM 2555 C19 EB4 A 200 -1.113 -2.291 4.931 1.00 20.00 C HETATM 2556 C22 EB4 A 200 -0.071 -2.646 7.126 1.00 20.00 C HETATM 2557 C25 EB4 A 200 -0.346 -1.728 8.307 1.00 20.00 C HETATM 2558 O10 EB4 A 200 -0.855 -2.169 9.335 1.00 20.00 O HETATM 2559 O15 EB4 A 200 0.005 -0.424 8.142 1.00 20.00 O HETATM 2560 C30 EB4 A 200 -0.270 0.454 9.244 1.00 20.00 C HETATM 2561 C24 EB4 A 200 0.797 1.534 9.280 1.00 20.00 C HETATM 2562 C21 EB4 A 200 0.572 3.584 7.953 1.00 20.00 C HETATM 2563 C18 EB4 A 200 0.613 4.187 6.591 1.00 20.00 C HETATM 2564 O9 EB4 A 200 0.337 4.277 8.942 1.00 20.00 O HETATM 2565 C27 EB4 A 200 2.137 0.817 9.625 1.00 20.00 C HETATM 2566 O12 EB4 A 200 2.375 0.428 10.767 1.00 20.00 O HETATM 2567 C28 EB4 A 200 1.287 -3.332 7.190 1.00 20.00 C HETATM 2568 O13 EB4 A 200 2.395 -2.424 7.076 1.00 20.00 O HETATM 2569 C26 EB4 A 200 3.136 -2.171 8.188 1.00 20.00 C HETATM 2570 O11 EB4 A 200 2.899 -2.645 9.297 1.00 20.00 O HETATM 2571 C23 EB4 A 200 4.322 -1.228 7.968 1.00 20.00 C HETATM 2572 C29 EB4 A 200 4.211 -0.016 8.879 1.00 20.00 C HETATM 2573 O14 EB4 A 200 2.988 0.667 8.575 1.00 20.00 O HETATM 2574 C20 EB4 A 200 5.376 -1.051 5.739 1.00 20.00 C HETATM 2575 O8 EB4 A 200 6.401 -1.637 6.081 1.00 20.00 O HETATM 2576 C17 EB4 A 200 5.221 -0.588 4.437 1.00 20.00 C HETATM 0 H30A EB4 A 200 -1.258 0.901 9.134 1.00 20.00 H new HETATM 0 H29A EB4 A 200 4.223 -0.325 9.924 1.00 20.00 H new HETATM 0 H28A EB4 A 200 1.367 -3.874 8.132 1.00 20.00 H new HETATM 0 HN3 EB4 A 200 0.992 1.759 7.140 1.00 20.00 H new HETATM 0 HN2 EB4 A 200 3.535 -0.313 6.188 1.00 20.00 H new HETATM 0 HN1 EB4 A 200 0.375 -1.110 5.677 1.00 20.00 H new HETATM 0 H9 EB4 A 200 0.732 5.775 3.061 1.00 20.00 H new HETATM 0 H8 EB4 A 200 4.798 0.691 0.807 1.00 20.00 H new HETATM 0 H7 EB4 A 200 -1.215 0.715 0.498 1.00 20.00 H new HETATM 0 H30 EB4 A 200 -0.275 -0.104 10.180 1.00 20.00 H new HETATM 0 H29 EB4 A 200 5.063 0.648 8.733 1.00 20.00 H new HETATM 0 H28 EB4 A 200 1.350 -4.071 6.391 1.00 20.00 H new HETATM 0 H24 EB4 A 200 0.613 2.296 10.038 1.00 20.00 H new HETATM 0 H23 EB4 A 200 5.250 -1.747 8.208 1.00 20.00 H new HETATM 0 H22 EB4 A 200 -0.818 -3.438 7.181 1.00 20.00 H new HETATM 0 H15 EB4 A 200 -0.186 6.075 7.246 1.00 20.00 H new HETATM 0 H14 EB4 A 200 6.966 -1.619 3.709 1.00 20.00 H new HETATM 0 H13 EB4 A 200 -2.712 -2.600 2.780 1.00 20.00 H new HETATM 0 H12 EB4 A 200 -0.132 7.083 4.982 1.00 20.00 H new HETATM 0 H11 EB4 A 200 6.694 -0.800 1.385 1.00 20.00 H new HETATM 0 H10 EB4 A 200 -2.758 -1.210 0.726 1.00 20.00 H new HETATM 2598 GA GA A 201 1.742 1.408 3.950 1.00 20.00 GA HETATM 2599 C1 ACD A 300 -1.630 9.421 -10.616 1.00 20.00 C HETATM 2600 C2 ACD A 300 -0.138 9.366 -10.951 1.00 20.00 C HETATM 2601 C3 ACD A 300 0.587 8.460 -9.953 1.00 20.00 C HETATM 2602 C4 ACD A 300 0.387 8.994 -8.533 1.00 20.00 C HETATM 2603 C5 ACD A 300 1.168 8.129 -7.543 1.00 20.00 C HETATM 2604 C6 ACD A 300 0.587 7.820 -6.163 1.00 20.00 C HETATM 2605 C7 ACD A 300 -0.783 8.376 -5.768 1.00 20.00 C HETATM 2606 C8 ACD A 300 -0.763 8.840 -4.311 1.00 20.00 C HETATM 2607 C9 ACD A 300 -0.877 7.826 -3.170 1.00 20.00 C HETATM 2608 C10 ACD A 300 -1.014 6.332 -3.468 1.00 20.00 C HETATM 2609 C11 ACD A 300 -1.757 5.660 -2.311 1.00 20.00 C HETATM 2610 C12 ACD A 300 -1.012 5.336 -1.016 1.00 20.00 C HETATM 2611 C13 ACD A 300 0.472 5.686 -0.891 1.00 20.00 C HETATM 2612 C14 ACD A 300 0.733 6.045 0.574 1.00 20.00 C HETATM 2613 C15 ACD A 300 0.830 7.506 1.020 1.00 20.00 C HETATM 2614 C16 ACD A 300 0.670 8.648 0.012 1.00 20.00 C HETATM 2615 C17 ACD A 300 1.769 8.579 -1.050 1.00 20.00 C HETATM 2616 C18 ACD A 300 1.518 9.656 -2.108 1.00 20.00 C HETATM 2617 C19 ACD A 300 2.415 9.384 -3.318 1.00 20.00 C HETATM 2618 C20 ACD A 300 2.045 10.327 -4.464 1.00 20.00 C HETATM 2619 O1 ACD A 300 -2.241 10.473 -10.903 1.00 20.00 O HETATM 2620 O2 ACD A 300 -2.126 8.407 -10.079 1.00 20.00 O HETATM 0 H203 ACD A 300 1.004 10.167 -4.745 1.00 20.00 H new HETATM 0 H202 ACD A 300 2.179 11.360 -4.143 1.00 20.00 H new HETATM 0 H201 ACD A 300 2.688 10.127 -5.321 1.00 20.00 H new HETATM 0 H192 ACD A 300 3.461 9.523 -3.045 1.00 20.00 H new HETATM 0 H191 ACD A 300 2.304 8.348 -3.638 1.00 20.00 H new HETATM 0 H182 ACD A 300 0.470 9.652 -2.408 1.00 20.00 H new HETATM 0 H181 ACD A 300 1.729 10.644 -1.697 1.00 20.00 H new HETATM 0 H172 ACD A 300 2.746 8.726 -0.589 1.00 20.00 H new HETATM 0 H171 ACD A 300 1.781 7.593 -1.514 1.00 20.00 H new HETATM 0 H162 ACD A 300 -0.309 8.587 -0.464 1.00 20.00 H new HETATM 0 H161 ACD A 300 0.714 9.607 0.529 1.00 20.00 H new HETATM 0 H132 ACD A 300 1.093 4.844 -1.197 1.00 20.00 H new HETATM 0 H131 ACD A 300 0.726 6.522 -1.543 1.00 20.00 H new HETATM 0 H102 ACD A 300 -1.557 6.182 -4.401 1.00 20.00 H new HETATM 0 H101 ACD A 300 -0.030 5.882 -3.596 1.00 20.00 H new HETATM 0 HO2 ACD A 300 -2.631 8.673 -9.282 1.00 20.00 H new HETATM 0 H9 ACD A 300 -0.860 8.172 -2.136 1.00 20.00 H new HETATM 0 H8 ACD A 300 -0.667 9.902 -4.083 1.00 20.00 H new HETATM 0 H72 ACD A 300 -1.047 9.209 -6.419 1.00 20.00 H new HETATM 0 H71 ACD A 300 -1.547 7.611 -5.903 1.00 20.00 H new HETATM 0 H6 ACD A 300 1.148 7.204 -5.461 1.00 20.00 H new HETATM 0 H5 ACD A 300 2.143 7.731 -7.822 1.00 20.00 H new HETATM 0 H42 ACD A 300 0.725 10.029 -8.472 1.00 20.00 H new HETATM 0 H41 ACD A 300 -0.673 8.989 -8.278 1.00 20.00 H new HETATM 0 H32 ACD A 300 0.204 7.442 -10.026 1.00 20.00 H new HETATM 0 H31 ACD A 300 1.650 8.419 -10.190 1.00 20.00 H new HETATM 0 H22 ACD A 300 0.002 8.991 -11.965 1.00 20.00 H new HETATM 0 H21 ACD A 300 0.288 10.369 -10.921 1.00 20.00 H new HETATM 0 H15 ACD A 300 1.015 7.737 2.069 1.00 20.00 H new HETATM 0 H14 ACD A 300 0.851 5.249 1.310 1.00 20.00 H new HETATM 0 H12 ACD A 300 -1.535 4.859 -0.187 1.00 20.00 H new HETATM 0 H11 ACD A 300 -2.814 5.413 -2.410 1.00 20.00 H new