USER MOD reduce.3.24.130724 H: found=0, std=0, add=1214, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 1212 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 93 TYR OH : rot 30:sc= -2.1! USER MOD Set 1.2: A 131 ASN : amide:sc= 1.14 K(o=-0.95,f=-2.8) USER MOD Set 2.1: A 103 MET CE :methyl 174:sc= -2.39! (180deg=-2.87!) USER MOD Set 2.2: A 117 MET CE :methyl -107:sc= -0.189 (180deg=-2.62!) USER MOD Set 3.1: A 77 TYR OH : rot -125:sc= 1.18 USER MOD Set 3.2: A 79 TYR OH : rot 86:sc= 0.592 USER MOD Set 3.3: A 106 HIS : no HE2:sc= 0.178 K(o=3.9,f=-9.6!) USER MOD Set 3.4: A 107 CYS SG : rot 71:sc= 0.213 USER MOD Set 3.5: A 110 ASN : amide:sc= 1.69 K(o=3.9,f=-0.2) USER MOD Set 4.1: A 84 LYS NZ :NH3+ -131:sc= 0.248 (180deg=0) USER MOD Set 4.2: A 92 THR OG1 : rot -170:sc= -0.631 USER MOD Set 4.3: A 95 ASN : amide:sc= -3.55! C(o=-3.9!,f=-8.1!) USER MOD Set 5.1: A 38 CYS SG : rot 46:sc= 0.887 USER MOD Set 5.2: A 63 LYS NZ :NH3+ -119:sc= 2.16 (180deg=-0.986!) USER MOD Set 6.1: A 24 CYS SG : rot -52:sc= 3.19 USER MOD Set 6.2: A 116 SER OG : rot 154:sc= 1.05 USER MOD Set 7.1: A 6 ASN : amide:sc= -0.0696 K(o=-0.07,f=-1.8!) USER MOD Set 7.2: A 27 THR OG1 : rot 170:sc= 0 USER MOD Single : A 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0.00284 USER MOD Single : A 4 SER OG : rot 46:sc= 0.36 USER MOD Single : A 12 SER OG : rot 180:sc= -0.0372 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0.703 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0.0242 USER MOD Single : A 32 HIS : no HD1:sc= -1.99 K(o=-2,f=-2.9!) USER MOD Single : A 33 CYS SG : rot 28:sc= -0.0214 USER MOD Single : A 35 SER OG : rot 180:sc= 0.0457 USER MOD Single : A 40 MET CE :methyl -153:sc= 0 (180deg=-0.509) USER MOD Single : A 49 LYS NZ :NH3+ -169:sc= -0.0169 (180deg=-0.169) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -167:sc=-0.00336 (180deg=-0.193) USER MOD Single : A 56 GLN : amide:sc= -0.443 X(o=-0.44,f=-0.44) USER MOD Single : A 60 ASN : amide:sc= 1.26 K(o=1.3,f=-0.065) USER MOD Single : A 61 GLN : amide:sc= 0.0586 X(o=0.059,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 64 LYS NZ :NH3+ -170:sc= -0.0112 (180deg=-0.117) USER MOD Single : A 65 SER OG : rot 160:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.0078 USER MOD Single : A 85 LYS NZ :NH3+ 176:sc= 1.03 (180deg=0.968) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 HIS : no HD1:sc= -3.37! C(o=-3.4!,f=-3.8!) USER MOD Single : A 90 LYS NZ :NH3+ 168:sc= -0.0305 (180deg=-0.247) USER MOD Single : A 97 GLN : amide:sc= -0.444 K(o=-0.44,f=-4!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot -24:sc= 1.25 USER MOD Single : A 104 LYS NZ :NH3+ 178:sc= 1.28 (180deg=1.23) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 THR OG1 : rot 14:sc= 0.991 USER MOD Single : A 122 CYS SG : rot 12:sc= -1.22! USER MOD Single : A 128 GLN : amide:sc= -0.894 K(o=-0.89,f=-6.7!) USER MOD Single : A 133 SER OG : rot -75:sc= 0.381 USER MOD Single : A 135 MET CE :methyl -167:sc= -0.974 (180deg=-1.32) USER MOD Single : A 143 THR OG1 : rot -45:sc= 1.29 USER MOD Single : A 146 LYS NZ :NH3+ -176:sc= -0.593! (180deg=-0.794!) USER MOD Single : A 148 THR OG1 : rot 180:sc= -1.34 USER MOD Single : A 150 TYR OH : rot 150:sc= -0.1 USER MOD Single : A 151 THR OG1 : rot 180:sc= 0.00419 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -18.735 -27.362 1.812 1.00 73.45 N ATOM 2 CA GLU A 1 -19.122 -26.031 1.503 1.00 1.11 C ATOM 3 C GLU A 1 -17.882 -25.291 1.049 1.00 53.12 C ATOM 4 O GLU A 1 -17.183 -24.668 1.853 1.00 22.14 O ATOM 5 CB GLU A 1 -19.726 -25.349 2.726 1.00 44.31 C ATOM 6 CG GLU A 1 -20.298 -23.970 2.471 1.00 52.21 C ATOM 7 CD GLU A 1 -20.770 -23.318 3.741 1.00 3.25 C ATOM 8 OE1 GLU A 1 -21.739 -23.827 4.362 1.00 74.33 O ATOM 9 OE2 GLU A 1 -20.190 -22.289 4.146 1.00 51.41 O ATOM 0 H1 GLU A 1 -19.566 -27.901 2.129 1.00 73.45 H new ATOM 0 H2 GLU A 1 -18.333 -27.812 0.965 1.00 73.45 H new ATOM 0 H3 GLU A 1 -18.022 -27.349 2.569 1.00 73.45 H new ATOM 0 HA GLU A 1 -19.880 -26.030 0.719 1.00 1.11 H new ATOM 0 HB2 GLU A 1 -20.516 -25.985 3.126 1.00 44.31 H new ATOM 0 HB3 GLU A 1 -18.959 -25.271 3.496 1.00 44.31 H new ATOM 0 HG2 GLU A 1 -19.540 -23.343 2.001 1.00 52.21 H new ATOM 0 HG3 GLU A 1 -21.129 -24.045 1.770 1.00 52.21 H new ATOM 16 N ALA A 2 -17.550 -25.462 -0.194 1.00 72.12 N ATOM 17 CA ALA A 2 -16.414 -24.815 -0.758 1.00 60.33 C ATOM 18 C ALA A 2 -16.866 -23.809 -1.766 1.00 70.44 C ATOM 19 O ALA A 2 -17.033 -24.115 -2.960 1.00 44.31 O ATOM 20 CB ALA A 2 -15.447 -25.818 -1.361 1.00 3.23 C ATOM 0 H ALA A 2 -18.063 -26.057 -0.845 1.00 72.12 H new ATOM 0 HA ALA A 2 -15.871 -24.298 0.033 1.00 60.33 H new ATOM 0 HB1 ALA A 2 -14.591 -25.290 -1.783 1.00 3.23 H new ATOM 0 HB2 ALA A 2 -15.104 -26.504 -0.586 1.00 3.23 H new ATOM 0 HB3 ALA A 2 -15.950 -26.381 -2.148 1.00 3.23 H new ATOM 26 N SER A 3 -17.133 -22.643 -1.284 1.00 31.02 N ATOM 27 CA SER A 3 -17.593 -21.578 -2.085 1.00 4.32 C ATOM 28 C SER A 3 -16.426 -20.775 -2.617 1.00 72.13 C ATOM 29 O SER A 3 -15.524 -20.372 -1.866 1.00 43.42 O ATOM 30 CB SER A 3 -18.561 -20.708 -1.275 1.00 1.10 C ATOM 31 OG SER A 3 -17.980 -20.295 -0.040 1.00 52.14 O ATOM 0 H SER A 3 -17.033 -22.406 -0.297 1.00 31.02 H new ATOM 0 HA SER A 3 -18.132 -21.974 -2.946 1.00 4.32 H new ATOM 0 HB2 SER A 3 -18.840 -19.831 -1.859 1.00 1.10 H new ATOM 0 HB3 SER A 3 -19.477 -21.265 -1.080 1.00 1.10 H new ATOM 0 HG SER A 3 -18.620 -19.741 0.453 1.00 52.14 H new ATOM 37 N SER A 4 -16.415 -20.580 -3.895 1.00 73.31 N ATOM 38 CA SER A 4 -15.411 -19.805 -4.513 1.00 33.30 C ATOM 39 C SER A 4 -15.877 -18.369 -4.590 1.00 64.11 C ATOM 40 O SER A 4 -16.699 -18.012 -5.442 1.00 44.43 O ATOM 41 CB SER A 4 -15.089 -20.379 -5.890 1.00 50.23 C ATOM 42 OG SER A 4 -16.270 -20.524 -6.687 1.00 52.21 O ATOM 0 H SER A 4 -17.111 -20.960 -4.537 1.00 73.31 H new ATOM 0 HA SER A 4 -14.492 -19.833 -3.928 1.00 33.30 H new ATOM 0 HB2 SER A 4 -14.382 -19.726 -6.401 1.00 50.23 H new ATOM 0 HB3 SER A 4 -14.604 -21.348 -5.777 1.00 50.23 H new ATOM 0 HG SER A 4 -16.808 -19.707 -6.626 1.00 52.21 H new ATOM 48 N LEU A 5 -15.417 -17.555 -3.679 1.00 71.41 N ATOM 49 CA LEU A 5 -15.862 -16.199 -3.665 1.00 1.23 C ATOM 50 C LEU A 5 -14.722 -15.235 -3.724 1.00 75.22 C ATOM 51 O LEU A 5 -13.686 -15.411 -3.082 1.00 75.45 O ATOM 52 CB LEU A 5 -16.836 -15.863 -2.503 1.00 64.23 C ATOM 53 CG LEU A 5 -16.316 -15.898 -1.052 1.00 23.04 C ATOM 54 CD1 LEU A 5 -17.398 -15.390 -0.129 1.00 14.04 C ATOM 55 CD2 LEU A 5 -15.902 -17.297 -0.626 1.00 33.31 C ATOM 0 H LEU A 5 -14.747 -17.805 -2.952 1.00 71.41 H new ATOM 0 HA LEU A 5 -16.447 -16.083 -4.578 1.00 1.23 H new ATOM 0 HB2 LEU A 5 -17.232 -14.864 -2.686 1.00 64.23 H new ATOM 0 HB3 LEU A 5 -17.675 -16.556 -2.568 1.00 64.23 H new ATOM 0 HG LEU A 5 -15.432 -15.263 -0.996 1.00 23.04 H new ATOM 0 HD11 LEU A 5 -17.038 -15.411 0.900 1.00 14.04 H new ATOM 0 HD12 LEU A 5 -17.658 -14.367 -0.401 1.00 14.04 H new ATOM 0 HD13 LEU A 5 -18.280 -16.024 -0.218 1.00 14.04 H new ATOM 0 HD21 LEU A 5 -15.543 -17.273 0.403 1.00 33.31 H new ATOM 0 HD22 LEU A 5 -16.759 -17.967 -0.695 1.00 33.31 H new ATOM 0 HD23 LEU A 5 -15.107 -17.656 -1.280 1.00 33.31 H new ATOM 67 N ASN A 6 -14.912 -14.254 -4.522 1.00 60.53 N ATOM 68 CA ASN A 6 -13.982 -13.193 -4.728 1.00 4.03 C ATOM 69 C ASN A 6 -14.820 -11.991 -5.012 1.00 71.12 C ATOM 70 O ASN A 6 -15.642 -12.038 -5.928 1.00 41.31 O ATOM 71 CB ASN A 6 -13.086 -13.530 -5.936 1.00 63.14 C ATOM 72 CG ASN A 6 -12.041 -12.475 -6.242 1.00 62.12 C ATOM 73 OD1 ASN A 6 -10.935 -12.507 -5.694 1.00 72.13 O ATOM 74 ND2 ASN A 6 -12.360 -11.566 -7.132 1.00 11.23 N ATOM 0 H ASN A 6 -15.760 -14.157 -5.081 1.00 60.53 H new ATOM 0 HA ASN A 6 -13.329 -13.030 -3.871 1.00 4.03 H new ATOM 0 HB2 ASN A 6 -12.585 -14.480 -5.750 1.00 63.14 H new ATOM 0 HB3 ASN A 6 -13.716 -13.669 -6.815 1.00 63.14 H new ATOM 0 HD21 ASN A 6 -11.683 -10.850 -7.395 1.00 11.23 H new ATOM 0 HD22 ASN A 6 -13.285 -11.575 -7.561 1.00 11.23 H new ATOM 81 N GLU A 7 -14.683 -10.942 -4.227 1.00 41.03 N ATOM 82 CA GLU A 7 -15.544 -9.799 -4.408 1.00 63.21 C ATOM 83 C GLU A 7 -15.254 -9.085 -5.721 1.00 72.45 C ATOM 84 O GLU A 7 -14.102 -9.026 -6.182 1.00 43.23 O ATOM 85 CB GLU A 7 -15.579 -8.871 -3.188 1.00 41.20 C ATOM 86 CG GLU A 7 -14.285 -8.177 -2.848 1.00 4.41 C ATOM 87 CD GLU A 7 -14.385 -7.420 -1.536 1.00 23.12 C ATOM 88 OE1 GLU A 7 -14.791 -6.235 -1.541 1.00 2.24 O ATOM 89 OE2 GLU A 7 -14.076 -8.011 -0.476 1.00 40.44 O ATOM 0 H GLU A 7 -13.999 -10.859 -3.475 1.00 41.03 H new ATOM 0 HA GLU A 7 -16.564 -10.175 -4.486 1.00 63.21 H new ATOM 0 HB2 GLU A 7 -16.342 -8.111 -3.356 1.00 41.20 H new ATOM 0 HB3 GLU A 7 -15.894 -9.453 -2.322 1.00 41.20 H new ATOM 0 HG2 GLU A 7 -13.483 -8.912 -2.784 1.00 4.41 H new ATOM 0 HG3 GLU A 7 -14.021 -7.486 -3.648 1.00 4.41 H new ATOM 96 N ASP A 8 -16.295 -8.568 -6.300 1.00 32.43 N ATOM 97 CA ASP A 8 -16.274 -8.054 -7.653 1.00 50.11 C ATOM 98 C ASP A 8 -15.919 -6.588 -7.701 1.00 21.41 C ATOM 99 O ASP A 8 -16.638 -5.739 -7.160 1.00 2.43 O ATOM 100 CB ASP A 8 -17.639 -8.280 -8.340 1.00 74.52 C ATOM 101 CG ASP A 8 -18.010 -9.745 -8.462 1.00 62.53 C ATOM 102 OD1 ASP A 8 -18.581 -10.320 -7.495 1.00 12.33 O ATOM 103 OD2 ASP A 8 -17.734 -10.355 -9.507 1.00 74.35 O ATOM 0 H ASP A 8 -17.204 -8.486 -5.844 1.00 32.43 H new ATOM 0 HA ASP A 8 -15.499 -8.603 -8.188 1.00 50.11 H new ATOM 0 HB2 ASP A 8 -18.413 -7.761 -7.775 1.00 74.52 H new ATOM 0 HB3 ASP A 8 -17.617 -7.833 -9.334 1.00 74.52 H new ATOM 108 N PRO A 9 -14.790 -6.263 -8.318 1.00 64.12 N ATOM 109 CA PRO A 9 -14.382 -4.904 -8.520 1.00 64.42 C ATOM 110 C PRO A 9 -14.744 -4.432 -9.939 1.00 35.44 C ATOM 111 O PRO A 9 -15.472 -5.131 -10.680 1.00 45.22 O ATOM 112 CB PRO A 9 -12.869 -5.008 -8.365 1.00 24.01 C ATOM 113 CG PRO A 9 -12.521 -6.366 -8.916 1.00 75.11 C ATOM 114 CD PRO A 9 -13.783 -7.208 -8.844 1.00 51.20 C ATOM 0 HA PRO A 9 -14.854 -4.195 -7.841 1.00 64.42 H new ATOM 0 HB2 PRO A 9 -12.359 -4.216 -8.913 1.00 24.01 H new ATOM 0 HB3 PRO A 9 -12.571 -4.916 -7.321 1.00 24.01 H new ATOM 0 HG2 PRO A 9 -12.168 -6.287 -9.944 1.00 75.11 H new ATOM 0 HG3 PRO A 9 -11.718 -6.823 -8.338 1.00 75.11 H new ATOM 0 HD2 PRO A 9 -14.066 -7.594 -9.823 1.00 51.20 H new ATOM 0 HD3 PRO A 9 -13.656 -8.068 -8.187 1.00 51.20 H new ATOM 122 N GLU A 10 -14.270 -3.265 -10.309 1.00 30.40 N ATOM 123 CA GLU A 10 -14.467 -2.771 -11.651 1.00 74.23 C ATOM 124 C GLU A 10 -13.340 -3.300 -12.539 1.00 15.40 C ATOM 125 O GLU A 10 -13.520 -4.280 -13.275 1.00 62.34 O ATOM 126 CB GLU A 10 -14.585 -1.216 -11.637 1.00 61.43 C ATOM 127 CG GLU A 10 -14.969 -0.528 -12.962 1.00 4.44 C ATOM 128 CD GLU A 10 -13.891 -0.558 -14.019 1.00 33.13 C ATOM 129 OE1 GLU A 10 -13.007 0.299 -13.977 1.00 54.43 O ATOM 130 OE2 GLU A 10 -13.919 -1.439 -14.893 1.00 43.15 O ATOM 0 H GLU A 10 -13.745 -2.640 -9.698 1.00 30.40 H new ATOM 0 HA GLU A 10 -15.405 -3.134 -12.072 1.00 74.23 H new ATOM 0 HB2 GLU A 10 -15.325 -0.940 -10.886 1.00 61.43 H new ATOM 0 HB3 GLU A 10 -13.629 -0.807 -11.308 1.00 61.43 H new ATOM 0 HG2 GLU A 10 -15.863 -1.007 -13.360 1.00 4.44 H new ATOM 0 HG3 GLU A 10 -15.229 0.510 -12.756 1.00 4.44 H new ATOM 137 N GLY A 11 -12.191 -2.696 -12.426 1.00 24.52 N ATOM 138 CA GLY A 11 -11.050 -3.135 -13.196 1.00 14.24 C ATOM 139 C GLY A 11 -10.396 -2.008 -13.968 1.00 12.34 C ATOM 140 O GLY A 11 -10.289 -2.061 -15.197 1.00 32.14 O ATOM 0 H GLY A 11 -12.015 -1.901 -11.812 1.00 24.52 H new ATOM 0 HA2 GLY A 11 -10.317 -3.585 -12.527 1.00 14.24 H new ATOM 0 HA3 GLY A 11 -11.364 -3.912 -13.893 1.00 14.24 H new ATOM 144 N SER A 12 -9.965 -1.003 -13.256 1.00 10.13 N ATOM 145 CA SER A 12 -9.281 0.119 -13.837 1.00 52.34 C ATOM 146 C SER A 12 -7.914 0.214 -13.159 1.00 54.31 C ATOM 147 O SER A 12 -7.519 -0.717 -12.431 1.00 43.12 O ATOM 148 CB SER A 12 -10.112 1.403 -13.599 1.00 74.33 C ATOM 149 OG SER A 12 -9.525 2.547 -14.205 1.00 1.25 O ATOM 0 H SER A 12 -10.080 -0.940 -12.245 1.00 10.13 H new ATOM 0 HA SER A 12 -9.153 0.000 -14.913 1.00 52.34 H new ATOM 0 HB2 SER A 12 -11.117 1.261 -13.995 1.00 74.33 H new ATOM 0 HB3 SER A 12 -10.213 1.574 -12.527 1.00 74.33 H new ATOM 0 HG SER A 12 -10.084 3.333 -14.030 1.00 1.25 H new ATOM 155 N ARG A 13 -7.189 1.296 -13.394 1.00 33.41 N ATOM 156 CA ARG A 13 -5.926 1.509 -12.718 1.00 72.12 C ATOM 157 C ARG A 13 -6.232 1.793 -11.285 1.00 44.03 C ATOM 158 O ARG A 13 -5.931 1.002 -10.418 1.00 42.54 O ATOM 159 CB ARG A 13 -5.119 2.658 -13.349 1.00 63.43 C ATOM 160 CG ARG A 13 -4.723 2.400 -14.784 1.00 70.41 C ATOM 161 CD ARG A 13 -3.794 1.200 -14.886 1.00 10.12 C ATOM 162 NE ARG A 13 -3.587 0.805 -16.279 1.00 15.13 N ATOM 163 CZ ARG A 13 -3.784 -0.429 -16.769 1.00 13.02 C ATOM 164 NH1 ARG A 13 -4.259 -1.410 -15.986 1.00 32.43 N ATOM 165 NH2 ARG A 13 -3.524 -0.673 -18.039 1.00 41.43 N ATOM 0 H ARG A 13 -7.454 2.035 -14.045 1.00 33.41 H new ATOM 0 HA ARG A 13 -5.303 0.619 -12.812 1.00 72.12 H new ATOM 0 HB2 ARG A 13 -5.708 3.574 -13.302 1.00 63.43 H new ATOM 0 HB3 ARG A 13 -4.219 2.827 -12.757 1.00 63.43 H new ATOM 0 HG2 ARG A 13 -5.615 2.226 -15.385 1.00 70.41 H new ATOM 0 HG3 ARG A 13 -4.230 3.282 -15.193 1.00 70.41 H new ATOM 0 HD2 ARG A 13 -2.835 1.440 -14.427 1.00 10.12 H new ATOM 0 HD3 ARG A 13 -4.214 0.364 -14.327 1.00 10.12 H new ATOM 0 HE ARG A 13 -3.268 1.523 -16.929 1.00 15.13 H new ATOM 0 HH11 ARG A 13 -4.475 -1.222 -15.007 1.00 32.43 H new ATOM 0 HH12 ARG A 13 -4.404 -2.344 -16.370 1.00 32.43 H new ATOM 0 HH21 ARG A 13 -3.176 0.073 -18.641 1.00 41.43 H new ATOM 0 HH22 ARG A 13 -3.671 -1.608 -18.419 1.00 41.43 H new ATOM 179 N ILE A 14 -6.878 2.891 -11.050 1.00 30.10 N ATOM 180 CA ILE A 14 -7.321 3.219 -9.740 1.00 52.24 C ATOM 181 C ILE A 14 -8.820 3.071 -9.709 1.00 64.32 C ATOM 182 O ILE A 14 -9.524 3.644 -10.526 1.00 64.30 O ATOM 183 CB ILE A 14 -6.972 4.668 -9.356 1.00 74.31 C ATOM 184 CG1 ILE A 14 -5.466 4.927 -9.463 1.00 2.23 C ATOM 185 CG2 ILE A 14 -7.464 4.964 -7.948 1.00 72.43 C ATOM 186 CD1 ILE A 14 -5.069 6.353 -9.148 1.00 4.54 C ATOM 0 H ILE A 14 -7.111 3.582 -11.763 1.00 30.10 H new ATOM 0 HA ILE A 14 -6.825 2.554 -9.033 1.00 52.24 H new ATOM 0 HB ILE A 14 -7.472 5.336 -10.057 1.00 74.31 H new ATOM 0 HG12 ILE A 14 -4.942 4.255 -8.784 1.00 2.23 H new ATOM 0 HG13 ILE A 14 -5.135 4.682 -10.472 1.00 2.23 H new ATOM 0 HG21 ILE A 14 -7.213 5.991 -7.683 1.00 72.43 H new ATOM 0 HG22 ILE A 14 -8.545 4.832 -7.905 1.00 72.43 H new ATOM 0 HG23 ILE A 14 -6.987 4.281 -7.245 1.00 72.43 H new ATOM 0 HD11 ILE A 14 -3.989 6.460 -9.245 1.00 4.54 H new ATOM 0 HD12 ILE A 14 -5.564 7.031 -9.843 1.00 4.54 H new ATOM 0 HD13 ILE A 14 -5.368 6.597 -8.129 1.00 4.54 H new ATOM 198 N THR A 15 -9.287 2.286 -8.818 1.00 40.40 N ATOM 199 CA THR A 15 -10.686 2.112 -8.625 1.00 60.13 C ATOM 200 C THR A 15 -11.023 2.645 -7.239 1.00 54.43 C ATOM 201 O THR A 15 -10.446 2.199 -6.246 1.00 75.13 O ATOM 202 CB THR A 15 -11.051 0.622 -8.734 1.00 11.24 C ATOM 203 OG1 THR A 15 -10.529 0.110 -9.982 1.00 40.21 O ATOM 204 CG2 THR A 15 -12.563 0.430 -8.710 1.00 72.13 C ATOM 0 H THR A 15 -8.705 1.734 -8.188 1.00 40.40 H new ATOM 0 HA THR A 15 -11.253 2.649 -9.386 1.00 60.13 H new ATOM 0 HB THR A 15 -10.621 0.088 -7.886 1.00 11.24 H new ATOM 0 HG1 THR A 15 -10.753 -0.841 -10.065 1.00 40.21 H new ATOM 0 HG21 THR A 15 -12.796 -0.632 -8.788 1.00 72.13 H new ATOM 0 HG22 THR A 15 -12.965 0.822 -7.776 1.00 72.13 H new ATOM 0 HG23 THR A 15 -13.011 0.963 -9.549 1.00 72.13 H new ATOM 212 N TYR A 16 -11.905 3.607 -7.178 1.00 42.33 N ATOM 213 CA TYR A 16 -12.263 4.225 -5.920 1.00 53.01 C ATOM 214 C TYR A 16 -13.466 3.552 -5.337 1.00 11.03 C ATOM 215 O TYR A 16 -14.528 3.509 -5.964 1.00 73.20 O ATOM 216 CB TYR A 16 -12.547 5.715 -6.095 1.00 42.05 C ATOM 217 CG TYR A 16 -11.387 6.501 -6.644 1.00 65.21 C ATOM 218 CD1 TYR A 16 -10.320 6.846 -5.836 1.00 71.23 C ATOM 219 CD2 TYR A 16 -11.363 6.901 -7.972 1.00 12.31 C ATOM 220 CE1 TYR A 16 -9.261 7.565 -6.335 1.00 14.22 C ATOM 221 CE2 TYR A 16 -10.308 7.620 -8.480 1.00 22.03 C ATOM 222 CZ TYR A 16 -9.260 7.949 -7.659 1.00 21.35 C ATOM 223 OH TYR A 16 -8.197 8.663 -8.160 1.00 3.51 O ATOM 0 H TYR A 16 -12.394 3.985 -7.989 1.00 42.33 H new ATOM 0 HA TYR A 16 -11.417 4.112 -5.242 1.00 53.01 H new ATOM 0 HB2 TYR A 16 -13.401 5.835 -6.761 1.00 42.05 H new ATOM 0 HB3 TYR A 16 -12.833 6.135 -5.131 1.00 42.05 H new ATOM 0 HD1 TYR A 16 -10.319 6.546 -4.798 1.00 71.23 H new ATOM 0 HD2 TYR A 16 -12.189 6.643 -8.618 1.00 12.31 H new ATOM 0 HE1 TYR A 16 -8.433 7.828 -5.693 1.00 14.22 H new ATOM 0 HE2 TYR A 16 -10.304 7.923 -9.517 1.00 22.03 H new ATOM 0 HH TYR A 16 -8.350 8.855 -9.109 1.00 3.51 H new ATOM 233 N VAL A 17 -13.309 3.025 -4.161 1.00 52.04 N ATOM 234 CA VAL A 17 -14.381 2.353 -3.477 1.00 3.44 C ATOM 235 C VAL A 17 -14.406 2.835 -2.045 1.00 62.33 C ATOM 236 O VAL A 17 -13.364 3.040 -1.451 1.00 63.15 O ATOM 237 CB VAL A 17 -14.181 0.800 -3.468 1.00 1.51 C ATOM 238 CG1 VAL A 17 -15.358 0.093 -2.816 1.00 13.22 C ATOM 239 CG2 VAL A 17 -13.948 0.254 -4.864 1.00 31.55 C ATOM 0 H VAL A 17 -12.431 3.047 -3.643 1.00 52.04 H new ATOM 0 HA VAL A 17 -15.313 2.577 -3.997 1.00 3.44 H new ATOM 0 HB VAL A 17 -13.288 0.601 -2.875 1.00 1.51 H new ATOM 0 HG11 VAL A 17 -15.187 -0.983 -2.826 1.00 13.22 H new ATOM 0 HG12 VAL A 17 -15.462 0.434 -1.786 1.00 13.22 H new ATOM 0 HG13 VAL A 17 -16.270 0.321 -3.368 1.00 13.22 H new ATOM 0 HG21 VAL A 17 -13.814 -0.827 -4.814 1.00 31.55 H new ATOM 0 HG22 VAL A 17 -14.808 0.484 -5.493 1.00 31.55 H new ATOM 0 HG23 VAL A 17 -13.055 0.711 -5.289 1.00 31.55 H new ATOM 249 N LYS A 18 -15.566 3.067 -1.511 1.00 32.54 N ATOM 250 CA LYS A 18 -15.665 3.391 -0.122 1.00 64.13 C ATOM 251 C LYS A 18 -15.640 2.114 0.709 1.00 2.02 C ATOM 252 O LYS A 18 -16.247 1.101 0.334 1.00 60.12 O ATOM 253 CB LYS A 18 -16.870 4.335 0.175 1.00 51.21 C ATOM 254 CG LYS A 18 -18.253 3.881 -0.323 1.00 3.21 C ATOM 255 CD LYS A 18 -18.819 2.702 0.450 1.00 23.34 C ATOM 256 CE LYS A 18 -20.151 2.258 -0.120 1.00 53.31 C ATOM 257 NZ LYS A 18 -20.715 1.120 0.626 1.00 62.32 N ATOM 0 H LYS A 18 -16.453 3.038 -2.013 1.00 32.54 H new ATOM 0 HA LYS A 18 -14.794 3.973 0.177 1.00 64.13 H new ATOM 0 HB2 LYS A 18 -16.929 4.479 1.254 1.00 51.21 H new ATOM 0 HB3 LYS A 18 -16.654 5.308 -0.266 1.00 51.21 H new ATOM 0 HG2 LYS A 18 -18.948 4.718 -0.254 1.00 3.21 H new ATOM 0 HG3 LYS A 18 -18.181 3.613 -1.377 1.00 3.21 H new ATOM 0 HD2 LYS A 18 -18.113 1.872 0.420 1.00 23.34 H new ATOM 0 HD3 LYS A 18 -18.943 2.977 1.497 1.00 23.34 H new ATOM 0 HE2 LYS A 18 -20.853 3.092 -0.095 1.00 53.31 H new ATOM 0 HE3 LYS A 18 -20.024 1.979 -1.166 1.00 53.31 H new ATOM 0 HZ1 LYS A 18 -21.626 0.846 0.205 1.00 62.32 H new ATOM 0 HZ2 LYS A 18 -20.057 0.316 0.582 1.00 62.32 H new ATOM 0 HZ3 LYS A 18 -20.861 1.394 1.619 1.00 62.32 H new ATOM 271 N GLY A 19 -14.922 2.143 1.789 1.00 23.23 N ATOM 272 CA GLY A 19 -14.773 0.959 2.603 1.00 34.12 C ATOM 273 C GLY A 19 -13.654 1.110 3.599 1.00 23.12 C ATOM 274 O GLY A 19 -13.491 2.189 4.183 1.00 71.53 O ATOM 0 H GLY A 19 -14.428 2.967 2.133 1.00 23.23 H new ATOM 0 HA2 GLY A 19 -15.706 0.759 3.130 1.00 34.12 H new ATOM 0 HA3 GLY A 19 -14.578 0.099 1.963 1.00 34.12 H new ATOM 278 N ASP A 20 -12.873 0.059 3.793 1.00 2.15 N ATOM 279 CA ASP A 20 -11.784 0.092 4.769 1.00 4.01 C ATOM 280 C ASP A 20 -10.632 -0.790 4.275 1.00 71.14 C ATOM 281 O ASP A 20 -10.839 -1.671 3.448 1.00 62.03 O ATOM 282 CB ASP A 20 -12.293 -0.421 6.127 1.00 52.45 C ATOM 283 CG ASP A 20 -11.334 -0.174 7.272 1.00 63.10 C ATOM 284 OD1 ASP A 20 -10.396 -0.959 7.457 1.00 13.40 O ATOM 285 OD2 ASP A 20 -11.528 0.809 8.013 1.00 43.14 O ATOM 0 H ASP A 20 -12.968 -0.825 3.293 1.00 2.15 H new ATOM 0 HA ASP A 20 -11.428 1.116 4.886 1.00 4.01 H new ATOM 0 HB2 ASP A 20 -13.245 0.059 6.353 1.00 52.45 H new ATOM 0 HB3 ASP A 20 -12.486 -1.491 6.051 1.00 52.45 H new ATOM 290 N LEU A 21 -9.440 -0.566 4.789 1.00 4.31 N ATOM 291 CA LEU A 21 -8.265 -1.308 4.363 1.00 62.23 C ATOM 292 C LEU A 21 -7.971 -2.519 5.217 1.00 72.43 C ATOM 293 O LEU A 21 -7.175 -3.371 4.850 1.00 11.42 O ATOM 294 CB LEU A 21 -7.085 -0.415 4.276 1.00 54.00 C ATOM 295 CG LEU A 21 -7.154 0.601 3.165 1.00 72.33 C ATOM 296 CD1 LEU A 21 -5.973 1.457 3.229 1.00 3.34 C ATOM 297 CD2 LEU A 21 -7.218 -0.084 1.814 1.00 13.01 C ATOM 0 H LEU A 21 -9.256 0.131 5.510 1.00 4.31 H new ATOM 0 HA LEU A 21 -8.491 -1.695 3.369 1.00 62.23 H new ATOM 0 HB2 LEU A 21 -6.971 0.109 5.225 1.00 54.00 H new ATOM 0 HB3 LEU A 21 -6.192 -1.025 4.139 1.00 54.00 H new ATOM 0 HG LEU A 21 -8.056 1.200 3.287 1.00 72.33 H new ATOM 0 HD11 LEU A 21 -6.015 2.195 2.428 1.00 3.34 H new ATOM 0 HD12 LEU A 21 -5.945 1.967 4.192 1.00 3.34 H new ATOM 0 HD13 LEU A 21 -5.076 0.848 3.115 1.00 3.34 H new ATOM 0 HD21 LEU A 21 -7.267 0.668 1.027 1.00 13.01 H new ATOM 0 HD22 LEU A 21 -6.328 -0.697 1.675 1.00 13.01 H new ATOM 0 HD23 LEU A 21 -8.105 -0.716 1.768 1.00 13.01 H new ATOM 309 N PHE A 22 -8.583 -2.599 6.356 1.00 52.52 N ATOM 310 CA PHE A 22 -8.471 -3.801 7.152 1.00 25.22 C ATOM 311 C PHE A 22 -9.573 -4.755 6.760 1.00 21.25 C ATOM 312 O PHE A 22 -9.564 -5.935 7.120 1.00 4.12 O ATOM 313 CB PHE A 22 -8.473 -3.529 8.665 1.00 72.21 C ATOM 314 CG PHE A 22 -7.211 -2.874 9.183 1.00 30.14 C ATOM 315 CD1 PHE A 22 -6.046 -3.613 9.283 1.00 2.00 C ATOM 316 CD2 PHE A 22 -7.187 -1.542 9.586 1.00 55.13 C ATOM 317 CE1 PHE A 22 -4.890 -3.048 9.765 1.00 53.11 C ATOM 318 CE2 PHE A 22 -6.027 -0.979 10.065 1.00 4.54 C ATOM 319 CZ PHE A 22 -4.881 -1.730 10.155 1.00 70.11 C ATOM 0 H PHE A 22 -9.161 -1.862 6.760 1.00 52.52 H new ATOM 0 HA PHE A 22 -7.501 -4.252 6.943 1.00 25.22 H new ATOM 0 HB2 PHE A 22 -9.324 -2.892 8.906 1.00 72.21 H new ATOM 0 HB3 PHE A 22 -8.621 -4.472 9.191 1.00 72.21 H new ATOM 0 HD1 PHE A 22 -6.045 -4.649 8.978 1.00 2.00 H new ATOM 0 HD2 PHE A 22 -8.086 -0.946 9.522 1.00 55.13 H new ATOM 0 HE1 PHE A 22 -3.989 -3.639 9.837 1.00 53.11 H new ATOM 0 HE2 PHE A 22 -6.018 0.057 10.371 1.00 4.54 H new ATOM 0 HZ PHE A 22 -3.972 -1.285 10.532 1.00 70.11 H new ATOM 329 N ALA A 23 -10.521 -4.232 6.000 1.00 44.22 N ATOM 330 CA ALA A 23 -11.626 -5.011 5.510 1.00 15.32 C ATOM 331 C ALA A 23 -11.520 -5.230 4.000 1.00 70.13 C ATOM 332 O ALA A 23 -12.451 -5.748 3.376 1.00 62.14 O ATOM 333 CB ALA A 23 -12.937 -4.330 5.858 1.00 63.32 C ATOM 0 H ALA A 23 -10.538 -3.254 5.710 1.00 44.22 H new ATOM 0 HA ALA A 23 -11.596 -5.988 5.991 1.00 15.32 H new ATOM 0 HB1 ALA A 23 -13.768 -4.927 5.483 1.00 63.32 H new ATOM 0 HB2 ALA A 23 -13.020 -4.232 6.940 1.00 63.32 H new ATOM 0 HB3 ALA A 23 -12.966 -3.341 5.401 1.00 63.32 H new ATOM 339 N CYS A 24 -10.391 -4.854 3.410 1.00 21.01 N ATOM 340 CA CYS A 24 -10.224 -5.033 1.980 1.00 22.24 C ATOM 341 C CYS A 24 -9.811 -6.475 1.674 1.00 14.02 C ATOM 342 O CYS A 24 -9.190 -7.138 2.523 1.00 33.33 O ATOM 343 CB CYS A 24 -9.232 -4.009 1.377 1.00 33.42 C ATOM 344 SG CYS A 24 -7.535 -4.092 1.977 1.00 33.54 S ATOM 0 H CYS A 24 -9.596 -4.433 3.890 1.00 21.01 H new ATOM 0 HA CYS A 24 -11.185 -4.843 1.501 1.00 22.24 H new ATOM 0 HB2 CYS A 24 -9.219 -4.141 0.295 1.00 33.42 H new ATOM 0 HB3 CYS A 24 -9.615 -3.007 1.571 1.00 33.42 H new ATOM 0 HG CYS A 24 -7.532 -4.051 3.276 1.00 33.54 H new ATOM 350 N PRO A 25 -10.189 -6.993 0.484 1.00 24.03 N ATOM 351 CA PRO A 25 -9.905 -8.370 0.067 1.00 1.51 C ATOM 352 C PRO A 25 -8.433 -8.759 0.182 1.00 62.41 C ATOM 353 O PRO A 25 -7.535 -7.965 -0.107 1.00 60.11 O ATOM 354 CB PRO A 25 -10.347 -8.406 -1.406 1.00 31.43 C ATOM 355 CG PRO A 25 -10.522 -6.983 -1.794 1.00 15.51 C ATOM 356 CD PRO A 25 -10.939 -6.279 -0.556 1.00 1.14 C ATOM 0 HA PRO A 25 -10.424 -9.081 0.710 1.00 1.51 H new ATOM 0 HB2 PRO A 25 -9.599 -8.895 -2.030 1.00 31.43 H new ATOM 0 HB3 PRO A 25 -11.276 -8.964 -1.525 1.00 31.43 H new ATOM 0 HG2 PRO A 25 -9.594 -6.567 -2.188 1.00 15.51 H new ATOM 0 HG3 PRO A 25 -11.274 -6.880 -2.576 1.00 15.51 H new ATOM 0 HD2 PRO A 25 -10.683 -5.220 -0.586 1.00 1.14 H new ATOM 0 HD3 PRO A 25 -12.015 -6.343 -0.396 1.00 1.14 H new ATOM 364 N LYS A 26 -8.205 -10.004 0.563 1.00 40.14 N ATOM 365 CA LYS A 26 -6.870 -10.552 0.747 1.00 62.02 C ATOM 366 C LYS A 26 -6.230 -10.786 -0.599 1.00 65.04 C ATOM 367 O LYS A 26 -5.021 -10.966 -0.706 1.00 44.54 O ATOM 368 CB LYS A 26 -6.894 -11.893 1.517 1.00 21.54 C ATOM 369 CG LYS A 26 -7.512 -11.866 2.916 1.00 11.22 C ATOM 370 CD LYS A 26 -9.030 -11.721 2.893 1.00 5.51 C ATOM 371 CE LYS A 26 -9.615 -11.745 4.289 1.00 71.34 C ATOM 372 NZ LYS A 26 -11.085 -11.620 4.260 1.00 52.22 N ATOM 0 H LYS A 26 -8.951 -10.672 0.756 1.00 40.14 H new ATOM 0 HA LYS A 26 -6.300 -9.829 1.330 1.00 62.02 H new ATOM 0 HB2 LYS A 26 -7.440 -12.621 0.917 1.00 21.54 H new ATOM 0 HB3 LYS A 26 -5.870 -12.255 1.604 1.00 21.54 H new ATOM 0 HG2 LYS A 26 -7.248 -12.784 3.442 1.00 11.22 H new ATOM 0 HG3 LYS A 26 -7.082 -11.039 3.482 1.00 11.22 H new ATOM 0 HD2 LYS A 26 -9.299 -10.786 2.402 1.00 5.51 H new ATOM 0 HD3 LYS A 26 -9.464 -12.528 2.302 1.00 5.51 H new ATOM 0 HE2 LYS A 26 -9.337 -12.675 4.785 1.00 71.34 H new ATOM 0 HE3 LYS A 26 -9.191 -10.931 4.877 1.00 71.34 H new ATOM 0 HZ1 LYS A 26 -11.454 -11.640 5.232 1.00 52.22 H new ATOM 0 HZ2 LYS A 26 -11.348 -10.721 3.808 1.00 52.22 H new ATOM 0 HZ3 LYS A 26 -11.490 -12.411 3.720 1.00 52.22 H new ATOM 386 N THR A 27 -7.054 -10.769 -1.615 1.00 44.43 N ATOM 387 CA THR A 27 -6.658 -10.993 -2.954 1.00 14.23 C ATOM 388 C THR A 27 -5.919 -9.754 -3.506 1.00 53.44 C ATOM 389 O THR A 27 -5.172 -9.840 -4.488 1.00 44.15 O ATOM 390 CB THR A 27 -7.943 -11.229 -3.762 1.00 75.35 C ATOM 391 OG1 THR A 27 -8.711 -12.281 -3.137 1.00 32.43 O ATOM 392 CG2 THR A 27 -7.628 -11.626 -5.160 1.00 1.12 C ATOM 0 H THR A 27 -8.053 -10.591 -1.513 1.00 44.43 H new ATOM 0 HA THR A 27 -5.983 -11.846 -3.021 1.00 14.23 H new ATOM 0 HB THR A 27 -8.513 -10.300 -3.782 1.00 75.35 H new ATOM 0 HG1 THR A 27 -9.599 -12.326 -3.549 1.00 32.43 H new ATOM 0 HG21 THR A 27 -8.555 -11.787 -5.710 1.00 1.12 H new ATOM 0 HG22 THR A 27 -7.053 -10.836 -5.642 1.00 1.12 H new ATOM 0 HG23 THR A 27 -7.045 -12.547 -5.154 1.00 1.12 H new ATOM 400 N ASP A 28 -6.068 -8.647 -2.824 1.00 60.43 N ATOM 401 CA ASP A 28 -5.403 -7.413 -3.183 1.00 1.54 C ATOM 402 C ASP A 28 -4.357 -7.133 -2.157 1.00 32.03 C ATOM 403 O ASP A 28 -4.668 -7.090 -0.970 1.00 31.51 O ATOM 404 CB ASP A 28 -6.398 -6.222 -3.217 1.00 60.52 C ATOM 405 CG ASP A 28 -7.403 -6.265 -4.351 1.00 1.55 C ATOM 406 OD1 ASP A 28 -8.278 -7.151 -4.368 1.00 62.43 O ATOM 407 OD2 ASP A 28 -7.354 -5.381 -5.235 1.00 20.03 O ATOM 0 H ASP A 28 -6.659 -8.573 -1.996 1.00 60.43 H new ATOM 0 HA ASP A 28 -4.969 -7.524 -4.177 1.00 1.54 H new ATOM 0 HB2 ASP A 28 -6.939 -6.192 -2.271 1.00 60.52 H new ATOM 0 HB3 ASP A 28 -5.830 -5.294 -3.289 1.00 60.52 H new ATOM 412 N SER A 29 -3.116 -6.945 -2.573 1.00 3.12 N ATOM 413 CA SER A 29 -2.081 -6.616 -1.622 1.00 63.52 C ATOM 414 C SER A 29 -2.304 -5.198 -1.137 1.00 64.53 C ATOM 415 O SER A 29 -3.078 -4.457 -1.738 1.00 63.35 O ATOM 416 CB SER A 29 -0.684 -6.832 -2.206 1.00 41.45 C ATOM 417 OG SER A 29 -0.458 -8.208 -2.497 1.00 4.25 O ATOM 0 H SER A 29 -2.810 -7.014 -3.543 1.00 3.12 H new ATOM 0 HA SER A 29 -2.139 -7.289 -0.767 1.00 63.52 H new ATOM 0 HB2 SER A 29 -0.571 -6.241 -3.115 1.00 41.45 H new ATOM 0 HB3 SER A 29 0.067 -6.478 -1.500 1.00 41.45 H new ATOM 0 HG SER A 29 0.441 -8.320 -2.871 1.00 4.25 H new ATOM 423 N LEU A 30 -1.665 -4.793 -0.093 1.00 31.10 N ATOM 424 CA LEU A 30 -2.005 -3.515 0.446 1.00 13.11 C ATOM 425 C LEU A 30 -0.766 -2.657 0.456 1.00 30.20 C ATOM 426 O LEU A 30 0.302 -3.130 0.764 1.00 22.33 O ATOM 427 CB LEU A 30 -2.553 -3.728 1.863 1.00 3.35 C ATOM 428 CG LEU A 30 -3.620 -2.757 2.380 1.00 62.14 C ATOM 429 CD1 LEU A 30 -4.098 -3.218 3.718 1.00 2.43 C ATOM 430 CD2 LEU A 30 -3.119 -1.336 2.466 1.00 75.51 C ATOM 0 H LEU A 30 -0.929 -5.305 0.393 1.00 31.10 H new ATOM 0 HA LEU A 30 -2.765 -3.013 -0.152 1.00 13.11 H new ATOM 0 HB2 LEU A 30 -2.967 -4.735 1.912 1.00 3.35 H new ATOM 0 HB3 LEU A 30 -1.711 -3.696 2.554 1.00 3.35 H new ATOM 0 HG LEU A 30 -4.443 -2.756 1.665 1.00 62.14 H new ATOM 0 HD11 LEU A 30 -4.857 -2.530 4.090 1.00 2.43 H new ATOM 0 HD12 LEU A 30 -4.526 -4.216 3.627 1.00 2.43 H new ATOM 0 HD13 LEU A 30 -3.260 -3.244 4.415 1.00 2.43 H new ATOM 0 HD21 LEU A 30 -3.915 -0.691 2.838 1.00 75.51 H new ATOM 0 HD22 LEU A 30 -2.268 -1.291 3.146 1.00 75.51 H new ATOM 0 HD23 LEU A 30 -2.811 -0.998 1.476 1.00 75.51 H new ATOM 442 N ALA A 31 -0.922 -1.409 0.137 1.00 21.14 N ATOM 443 CA ALA A 31 0.193 -0.499 0.049 1.00 2.15 C ATOM 444 C ALA A 31 -0.111 0.792 0.791 1.00 63.43 C ATOM 445 O ALA A 31 -1.272 1.100 1.071 1.00 3.22 O ATOM 446 CB ALA A 31 0.521 -0.226 -1.410 1.00 25.33 C ATOM 0 H ALA A 31 -1.826 -0.985 -0.071 1.00 21.14 H new ATOM 0 HA ALA A 31 1.063 -0.956 0.520 1.00 2.15 H new ATOM 0 HB1 ALA A 31 1.364 0.462 -1.471 1.00 25.33 H new ATOM 0 HB2 ALA A 31 0.780 -1.162 -1.906 1.00 25.33 H new ATOM 0 HB3 ALA A 31 -0.345 0.217 -1.901 1.00 25.33 H new ATOM 452 N HIS A 32 0.929 1.518 1.152 1.00 33.34 N ATOM 453 CA HIS A 32 0.812 2.780 1.887 1.00 41.11 C ATOM 454 C HIS A 32 1.995 3.630 1.511 1.00 23.30 C ATOM 455 O HIS A 32 2.918 3.129 0.890 1.00 13.00 O ATOM 456 CB HIS A 32 0.946 2.545 3.398 1.00 15.43 C ATOM 457 CG HIS A 32 0.068 1.505 3.980 1.00 5.34 C ATOM 458 ND1 HIS A 32 0.534 0.266 4.368 1.00 13.00 N ATOM 459 CD2 HIS A 32 -1.239 1.519 4.273 1.00 2.13 C ATOM 460 CE1 HIS A 32 -0.449 -0.431 4.872 1.00 64.12 C ATOM 461 NE2 HIS A 32 -1.541 0.306 4.831 1.00 71.33 N ATOM 0 H HIS A 32 1.892 1.253 0.945 1.00 33.34 H new ATOM 0 HA HIS A 32 -0.151 3.234 1.652 1.00 41.11 H new ATOM 0 HB2 HIS A 32 1.981 2.278 3.612 1.00 15.43 H new ATOM 0 HB3 HIS A 32 0.747 3.487 3.910 1.00 15.43 H new ATOM 0 HD2 HIS A 32 -1.926 2.335 4.101 1.00 2.13 H new ATOM 0 HE1 HIS A 32 -0.379 -1.438 5.256 1.00 64.12 H new ATOM 0 HE2 HIS A 32 -2.462 0.019 5.162 1.00 71.33 H new ATOM 470 N CYS A 33 1.986 4.882 1.901 1.00 51.30 N ATOM 471 CA CYS A 33 3.152 5.721 1.725 1.00 30.13 C ATOM 472 C CYS A 33 3.661 6.122 3.108 1.00 14.42 C ATOM 473 O CYS A 33 2.863 6.539 3.973 1.00 0.03 O ATOM 474 CB CYS A 33 2.800 6.958 0.887 1.00 4.12 C ATOM 475 SG CYS A 33 1.481 7.982 1.591 1.00 13.44 S ATOM 0 H CYS A 33 1.189 5.343 2.341 1.00 51.30 H new ATOM 0 HA CYS A 33 3.932 5.178 1.190 1.00 30.13 H new ATOM 0 HB2 CYS A 33 3.695 7.569 0.768 1.00 4.12 H new ATOM 0 HB3 CYS A 33 2.500 6.634 -0.110 1.00 4.12 H new ATOM 0 HG CYS A 33 1.478 7.856 2.885 1.00 13.44 H new ATOM 481 N ILE A 34 4.958 5.998 3.332 1.00 4.12 N ATOM 482 CA ILE A 34 5.551 6.275 4.631 1.00 33.20 C ATOM 483 C ILE A 34 6.924 6.885 4.450 1.00 43.54 C ATOM 484 O ILE A 34 7.448 6.946 3.333 1.00 15.01 O ATOM 485 CB ILE A 34 5.711 5.005 5.539 1.00 11.32 C ATOM 486 CG1 ILE A 34 6.717 4.032 4.938 1.00 54.10 C ATOM 487 CG2 ILE A 34 4.380 4.324 5.780 1.00 62.21 C ATOM 488 CD1 ILE A 34 7.093 2.893 5.861 1.00 42.21 C ATOM 0 H ILE A 34 5.628 5.704 2.622 1.00 4.12 H new ATOM 0 HA ILE A 34 4.862 6.958 5.128 1.00 33.20 H new ATOM 0 HB ILE A 34 6.091 5.336 6.505 1.00 11.32 H new ATOM 0 HG12 ILE A 34 6.304 3.620 4.017 1.00 54.10 H new ATOM 0 HG13 ILE A 34 7.619 4.579 4.666 1.00 54.10 H new ATOM 0 HG21 ILE A 34 4.528 3.449 6.412 1.00 62.21 H new ATOM 0 HG22 ILE A 34 3.700 5.018 6.275 1.00 62.21 H new ATOM 0 HG23 ILE A 34 3.952 4.014 4.827 1.00 62.21 H new ATOM 0 HD11 ILE A 34 7.813 2.243 5.363 1.00 42.21 H new ATOM 0 HD12 ILE A 34 7.537 3.294 6.772 1.00 42.21 H new ATOM 0 HD13 ILE A 34 6.201 2.320 6.114 1.00 42.21 H new ATOM 500 N SER A 35 7.480 7.353 5.526 1.00 71.24 N ATOM 501 CA SER A 35 8.812 7.857 5.528 1.00 33.15 C ATOM 502 C SER A 35 9.815 6.706 5.787 1.00 33.22 C ATOM 503 O SER A 35 9.447 5.685 6.405 1.00 62.13 O ATOM 504 CB SER A 35 8.909 8.963 6.560 1.00 34.14 C ATOM 505 OG SER A 35 8.349 8.573 7.820 1.00 42.01 O ATOM 0 H SER A 35 7.015 7.394 6.433 1.00 71.24 H new ATOM 0 HA SER A 35 9.069 8.279 4.556 1.00 33.15 H new ATOM 0 HB2 SER A 35 9.954 9.239 6.698 1.00 34.14 H new ATOM 0 HB3 SER A 35 8.391 9.849 6.192 1.00 34.14 H new ATOM 0 HG SER A 35 8.433 9.312 8.458 1.00 42.01 H new ATOM 511 N GLU A 36 11.068 6.859 5.317 1.00 42.12 N ATOM 512 CA GLU A 36 12.074 5.788 5.433 1.00 34.51 C ATOM 513 C GLU A 36 12.379 5.486 6.880 1.00 35.01 C ATOM 514 O GLU A 36 12.565 4.333 7.258 1.00 21.23 O ATOM 515 CB GLU A 36 13.378 6.093 4.595 1.00 31.22 C ATOM 516 CG GLU A 36 14.378 7.116 5.153 1.00 34.44 C ATOM 517 CD GLU A 36 15.276 6.573 6.249 1.00 61.11 C ATOM 518 OE1 GLU A 36 15.786 5.448 6.114 1.00 25.14 O ATOM 519 OE2 GLU A 36 15.474 7.265 7.271 1.00 13.11 O ATOM 0 H GLU A 36 11.405 7.705 4.858 1.00 42.12 H new ATOM 0 HA GLU A 36 11.642 4.888 4.996 1.00 34.51 H new ATOM 0 HB2 GLU A 36 13.909 5.152 4.452 1.00 31.22 H new ATOM 0 HB3 GLU A 36 13.067 6.436 3.608 1.00 31.22 H new ATOM 0 HG2 GLU A 36 15.001 7.482 4.336 1.00 34.44 H new ATOM 0 HG3 GLU A 36 13.826 7.972 5.541 1.00 34.44 H new ATOM 526 N ASP A 37 12.350 6.512 7.696 1.00 35.11 N ATOM 527 CA ASP A 37 12.681 6.393 9.104 1.00 14.40 C ATOM 528 C ASP A 37 11.470 5.848 9.886 1.00 42.24 C ATOM 529 O ASP A 37 11.510 5.668 11.105 1.00 34.32 O ATOM 530 CB ASP A 37 13.158 7.762 9.616 1.00 21.10 C ATOM 531 CG ASP A 37 13.825 7.714 10.962 1.00 53.04 C ATOM 532 OD1 ASP A 37 14.803 6.965 11.116 1.00 2.13 O ATOM 533 OD2 ASP A 37 13.445 8.478 11.852 1.00 44.31 O ATOM 0 H ASP A 37 12.096 7.457 7.406 1.00 35.11 H new ATOM 0 HA ASP A 37 13.492 5.680 9.254 1.00 14.40 H new ATOM 0 HB2 ASP A 37 13.854 8.187 8.892 1.00 21.10 H new ATOM 0 HB3 ASP A 37 12.303 8.436 9.670 1.00 21.10 H new ATOM 538 N CYS A 38 10.382 5.588 9.129 1.00 62.53 N ATOM 539 CA CYS A 38 9.146 4.961 9.612 1.00 1.41 C ATOM 540 C CYS A 38 8.494 5.712 10.762 1.00 11.14 C ATOM 541 O CYS A 38 7.696 5.157 11.510 1.00 52.23 O ATOM 542 CB CYS A 38 9.402 3.491 9.942 1.00 2.11 C ATOM 543 SG CYS A 38 9.934 2.540 8.494 1.00 51.21 S ATOM 0 H CYS A 38 10.345 5.818 8.136 1.00 62.53 H new ATOM 0 HA CYS A 38 8.416 5.012 8.804 1.00 1.41 H new ATOM 0 HB2 CYS A 38 10.165 3.423 10.718 1.00 2.11 H new ATOM 0 HB3 CYS A 38 8.493 3.049 10.349 1.00 2.11 H new ATOM 0 HG CYS A 38 10.843 3.207 7.847 1.00 51.21 H new ATOM 549 N ARG A 39 8.788 6.993 10.840 1.00 31.52 N ATOM 550 CA ARG A 39 8.223 7.853 11.858 1.00 21.55 C ATOM 551 C ARG A 39 6.722 7.967 11.684 1.00 40.24 C ATOM 552 O ARG A 39 5.990 7.982 12.661 1.00 21.00 O ATOM 553 CB ARG A 39 8.907 9.219 11.838 1.00 63.15 C ATOM 554 CG ARG A 39 10.368 9.144 12.194 1.00 10.24 C ATOM 555 CD ARG A 39 10.540 8.735 13.635 1.00 1.24 C ATOM 556 NE ARG A 39 11.914 8.366 13.942 1.00 52.30 N ATOM 557 CZ ARG A 39 12.329 7.846 15.097 1.00 30.12 C ATOM 558 NH1 ARG A 39 11.495 7.753 16.127 1.00 33.43 N ATOM 559 NH2 ARG A 39 13.582 7.420 15.220 1.00 54.20 N ATOM 0 H ARG A 39 9.425 7.467 10.200 1.00 31.52 H new ATOM 0 HA ARG A 39 8.403 7.411 12.838 1.00 21.55 H new ATOM 0 HB2 ARG A 39 8.801 9.659 10.846 1.00 63.15 H new ATOM 0 HB3 ARG A 39 8.401 9.884 12.537 1.00 63.15 H new ATOM 0 HG2 ARG A 39 10.870 8.428 11.544 1.00 10.24 H new ATOM 0 HG3 ARG A 39 10.840 10.112 12.026 1.00 10.24 H new ATOM 0 HD2 ARG A 39 10.233 9.556 14.283 1.00 1.24 H new ATOM 0 HD3 ARG A 39 9.882 7.894 13.853 1.00 1.24 H new ATOM 0 HE ARG A 39 12.614 8.517 13.216 1.00 52.30 H new ATOM 0 HH11 ARG A 39 10.533 8.080 16.036 1.00 33.43 H new ATOM 0 HH12 ARG A 39 11.816 7.354 17.009 1.00 33.43 H new ATOM 0 HH21 ARG A 39 14.225 7.491 14.431 1.00 54.20 H new ATOM 0 HH22 ARG A 39 13.901 7.022 16.103 1.00 54.20 H new ATOM 573 N MET A 40 6.291 8.013 10.407 1.00 65.20 N ATOM 574 CA MET A 40 4.863 8.042 9.993 1.00 25.30 C ATOM 575 C MET A 40 4.073 9.185 10.655 1.00 15.11 C ATOM 576 O MET A 40 3.887 10.251 10.067 1.00 23.44 O ATOM 577 CB MET A 40 4.184 6.689 10.276 1.00 12.45 C ATOM 578 CG MET A 40 4.855 5.518 9.665 1.00 61.45 C ATOM 579 SD MET A 40 4.064 3.997 10.145 1.00 14.10 S ATOM 580 CE MET A 40 5.191 2.872 9.415 1.00 34.21 C ATOM 0 H MET A 40 6.934 8.032 9.615 1.00 65.20 H new ATOM 0 HA MET A 40 4.856 8.229 8.919 1.00 25.30 H new ATOM 0 HB2 MET A 40 4.136 6.541 11.355 1.00 12.45 H new ATOM 0 HB3 MET A 40 3.157 6.731 9.914 1.00 12.45 H new ATOM 0 HG2 MET A 40 4.839 5.612 8.579 1.00 61.45 H new ATOM 0 HG3 MET A 40 5.902 5.497 9.967 1.00 61.45 H new ATOM 0 HE1 MET A 40 4.674 1.942 9.177 1.00 34.21 H new ATOM 0 HE2 MET A 40 5.597 3.305 8.501 1.00 34.21 H new ATOM 0 HE3 MET A 40 6.004 2.667 10.112 1.00 34.21 H new ATOM 590 N GLY A 41 3.618 8.939 11.868 1.00 2.52 N ATOM 591 CA GLY A 41 2.880 9.906 12.658 1.00 41.43 C ATOM 592 C GLY A 41 1.434 10.077 12.227 1.00 54.30 C ATOM 593 O GLY A 41 0.593 10.462 13.037 1.00 11.15 O ATOM 0 H GLY A 41 3.753 8.045 12.341 1.00 2.52 H new ATOM 0 HA2 GLY A 41 2.903 9.600 13.704 1.00 41.43 H new ATOM 0 HA3 GLY A 41 3.384 10.871 12.597 1.00 41.43 H new ATOM 597 N ALA A 42 1.134 9.755 10.987 1.00 14.34 N ATOM 598 CA ALA A 42 -0.211 9.872 10.471 1.00 73.01 C ATOM 599 C ALA A 42 -0.471 8.829 9.409 1.00 61.15 C ATOM 600 O ALA A 42 0.473 8.210 8.882 1.00 53.51 O ATOM 601 CB ALA A 42 -0.452 11.265 9.911 1.00 50.35 C ATOM 0 H ALA A 42 1.814 9.406 10.311 1.00 14.34 H new ATOM 0 HA ALA A 42 -0.904 9.705 11.296 1.00 73.01 H new ATOM 0 HB1 ALA A 42 -1.470 11.332 9.528 1.00 50.35 H new ATOM 0 HB2 ALA A 42 -0.312 12.004 10.700 1.00 50.35 H new ATOM 0 HB3 ALA A 42 0.253 11.459 9.103 1.00 50.35 H new ATOM 607 N GLY A 43 -1.728 8.641 9.096 1.00 63.21 N ATOM 608 CA GLY A 43 -2.114 7.713 8.083 1.00 70.21 C ATOM 609 C GLY A 43 -2.446 6.361 8.653 1.00 42.34 C ATOM 610 O GLY A 43 -2.220 6.098 9.842 1.00 62.30 O ATOM 0 H GLY A 43 -2.506 9.130 9.540 1.00 63.21 H new ATOM 0 HA2 GLY A 43 -2.979 8.102 7.546 1.00 70.21 H new ATOM 0 HA3 GLY A 43 -1.307 7.612 7.357 1.00 70.21 H new ATOM 614 N ILE A 44 -2.958 5.490 7.815 1.00 62.51 N ATOM 615 CA ILE A 44 -3.314 4.142 8.221 1.00 15.54 C ATOM 616 C ILE A 44 -2.052 3.302 8.481 1.00 52.23 C ATOM 617 O ILE A 44 -2.109 2.222 9.056 1.00 60.15 O ATOM 618 CB ILE A 44 -4.270 3.465 7.198 1.00 62.43 C ATOM 619 CG1 ILE A 44 -4.690 2.074 7.665 1.00 71.22 C ATOM 620 CG2 ILE A 44 -3.630 3.390 5.833 1.00 73.41 C ATOM 621 CD1 ILE A 44 -5.778 1.480 6.853 1.00 1.33 C ATOM 0 H ILE A 44 -3.141 5.692 6.832 1.00 62.51 H new ATOM 0 HA ILE A 44 -3.865 4.207 9.159 1.00 15.54 H new ATOM 0 HB ILE A 44 -5.166 4.082 7.128 1.00 62.43 H new ATOM 0 HG12 ILE A 44 -3.824 1.413 7.636 1.00 71.22 H new ATOM 0 HG13 ILE A 44 -5.013 2.131 8.704 1.00 71.22 H new ATOM 0 HG21 ILE A 44 -4.317 2.913 5.135 1.00 73.41 H new ATOM 0 HG22 ILE A 44 -3.399 4.396 5.484 1.00 73.41 H new ATOM 0 HG23 ILE A 44 -2.711 2.807 5.893 1.00 73.41 H new ATOM 0 HD11 ILE A 44 -6.025 0.492 7.242 1.00 1.33 H new ATOM 0 HD12 ILE A 44 -6.659 2.120 6.902 1.00 1.33 H new ATOM 0 HD13 ILE A 44 -5.452 1.391 5.817 1.00 1.33 H new ATOM 633 N ALA A 45 -0.909 3.822 8.064 1.00 22.54 N ATOM 634 CA ALA A 45 0.364 3.183 8.341 1.00 13.42 C ATOM 635 C ALA A 45 0.577 3.088 9.854 1.00 51.22 C ATOM 636 O ALA A 45 1.143 2.121 10.344 1.00 31.35 O ATOM 637 CB ALA A 45 1.490 3.948 7.691 1.00 43.34 C ATOM 0 H ALA A 45 -0.838 4.688 7.530 1.00 22.54 H new ATOM 0 HA ALA A 45 0.355 2.176 7.924 1.00 13.42 H new ATOM 0 HB1 ALA A 45 2.438 3.455 7.909 1.00 43.34 H new ATOM 0 HB2 ALA A 45 1.335 3.977 6.612 1.00 43.34 H new ATOM 0 HB3 ALA A 45 1.512 4.965 8.082 1.00 43.34 H new ATOM 643 N VAL A 46 0.066 4.089 10.583 1.00 4.42 N ATOM 644 CA VAL A 46 0.131 4.104 12.039 1.00 43.31 C ATOM 645 C VAL A 46 -0.675 2.932 12.605 1.00 25.11 C ATOM 646 O VAL A 46 -0.281 2.302 13.589 1.00 52.12 O ATOM 647 CB VAL A 46 -0.377 5.457 12.620 1.00 54.14 C ATOM 648 CG1 VAL A 46 -0.420 5.426 14.142 1.00 10.20 C ATOM 649 CG2 VAL A 46 0.534 6.577 12.159 1.00 25.03 C ATOM 0 H VAL A 46 -0.399 4.902 10.179 1.00 4.42 H new ATOM 0 HA VAL A 46 1.174 3.996 12.337 1.00 43.31 H new ATOM 0 HB VAL A 46 -1.391 5.626 12.257 1.00 54.14 H new ATOM 0 HG11 VAL A 46 -0.779 6.385 14.515 1.00 10.20 H new ATOM 0 HG12 VAL A 46 -1.093 4.634 14.471 1.00 10.20 H new ATOM 0 HG13 VAL A 46 0.581 5.237 14.530 1.00 10.20 H new ATOM 0 HG21 VAL A 46 0.180 7.525 12.565 1.00 25.03 H new ATOM 0 HG22 VAL A 46 1.549 6.389 12.510 1.00 25.03 H new ATOM 0 HG23 VAL A 46 0.530 6.624 11.070 1.00 25.03 H new ATOM 659 N LEU A 47 -1.773 2.623 11.948 1.00 55.13 N ATOM 660 CA LEU A 47 -2.607 1.492 12.313 1.00 43.42 C ATOM 661 C LEU A 47 -1.871 0.173 12.087 1.00 54.22 C ATOM 662 O LEU A 47 -1.999 -0.754 12.877 1.00 1.41 O ATOM 663 CB LEU A 47 -3.943 1.541 11.558 1.00 65.24 C ATOM 664 CG LEU A 47 -4.929 2.620 12.028 1.00 43.14 C ATOM 665 CD1 LEU A 47 -6.068 2.783 11.039 1.00 51.34 C ATOM 666 CD2 LEU A 47 -5.504 2.222 13.368 1.00 33.32 C ATOM 0 H LEU A 47 -2.115 3.149 11.144 1.00 55.13 H new ATOM 0 HA LEU A 47 -2.830 1.555 13.378 1.00 43.42 H new ATOM 0 HB2 LEU A 47 -3.736 1.699 10.499 1.00 65.24 H new ATOM 0 HB3 LEU A 47 -4.427 0.568 11.647 1.00 65.24 H new ATOM 0 HG LEU A 47 -4.391 3.565 12.107 1.00 43.14 H new ATOM 0 HD11 LEU A 47 -6.752 3.553 11.396 1.00 51.34 H new ATOM 0 HD12 LEU A 47 -5.668 3.074 10.068 1.00 51.34 H new ATOM 0 HD13 LEU A 47 -6.604 1.839 10.942 1.00 51.34 H new ATOM 0 HD21 LEU A 47 -6.205 2.986 13.705 1.00 33.32 H new ATOM 0 HD22 LEU A 47 -6.025 1.269 13.272 1.00 33.32 H new ATOM 0 HD23 LEU A 47 -4.698 2.123 14.095 1.00 33.32 H new ATOM 678 N PHE A 48 -1.072 0.109 11.034 1.00 52.14 N ATOM 679 CA PHE A 48 -0.259 -1.079 10.768 1.00 0.11 C ATOM 680 C PHE A 48 0.931 -1.138 11.708 1.00 63.03 C ATOM 681 O PHE A 48 1.412 -2.207 12.045 1.00 24.14 O ATOM 682 CB PHE A 48 0.168 -1.167 9.296 1.00 25.45 C ATOM 683 CG PHE A 48 -0.950 -1.573 8.375 1.00 40.31 C ATOM 684 CD1 PHE A 48 -2.043 -0.756 8.181 1.00 13.34 C ATOM 685 CD2 PHE A 48 -0.905 -2.789 7.708 1.00 23.43 C ATOM 686 CE1 PHE A 48 -3.069 -1.139 7.348 1.00 75.14 C ATOM 687 CE2 PHE A 48 -1.935 -3.172 6.870 1.00 31.14 C ATOM 688 CZ PHE A 48 -3.013 -2.339 6.698 1.00 42.10 C ATOM 0 H PHE A 48 -0.965 0.858 10.350 1.00 52.14 H new ATOM 0 HA PHE A 48 -0.879 -1.954 10.961 1.00 0.11 H new ATOM 0 HB2 PHE A 48 0.557 -0.199 8.979 1.00 25.45 H new ATOM 0 HB3 PHE A 48 0.984 -1.884 9.204 1.00 25.45 H new ATOM 0 HD1 PHE A 48 -2.095 0.196 8.689 1.00 13.34 H new ATOM 0 HD2 PHE A 48 -0.056 -3.443 7.845 1.00 23.43 H new ATOM 0 HE1 PHE A 48 -3.920 -0.489 7.208 1.00 75.14 H new ATOM 0 HE2 PHE A 48 -1.892 -4.120 6.354 1.00 31.14 H new ATOM 0 HZ PHE A 48 -3.821 -2.634 6.045 1.00 42.10 H new ATOM 698 N LYS A 49 1.387 0.011 12.135 1.00 55.11 N ATOM 699 CA LYS A 49 2.436 0.109 13.122 1.00 45.41 C ATOM 700 C LYS A 49 1.910 -0.491 14.428 1.00 25.43 C ATOM 701 O LYS A 49 2.530 -1.369 15.026 1.00 51.42 O ATOM 702 CB LYS A 49 2.844 1.609 13.265 1.00 52.12 C ATOM 703 CG LYS A 49 3.975 1.932 14.247 1.00 24.01 C ATOM 704 CD LYS A 49 3.567 1.890 15.718 1.00 64.30 C ATOM 705 CE LYS A 49 2.564 2.986 16.071 1.00 21.12 C ATOM 706 NZ LYS A 49 3.106 4.350 15.861 1.00 42.14 N ATOM 0 H LYS A 49 1.040 0.912 11.807 1.00 55.11 H new ATOM 0 HA LYS A 49 3.330 -0.444 12.833 1.00 45.41 H new ATOM 0 HB2 LYS A 49 3.135 1.976 12.281 1.00 52.12 H new ATOM 0 HB3 LYS A 49 1.961 2.173 13.568 1.00 52.12 H new ATOM 0 HG2 LYS A 49 4.790 1.225 14.089 1.00 24.01 H new ATOM 0 HG3 LYS A 49 4.365 2.924 14.019 1.00 24.01 H new ATOM 0 HD2 LYS A 49 3.133 0.916 15.945 1.00 64.30 H new ATOM 0 HD3 LYS A 49 4.454 1.997 16.342 1.00 64.30 H new ATOM 0 HE2 LYS A 49 1.666 2.859 15.466 1.00 21.12 H new ATOM 0 HE3 LYS A 49 2.264 2.876 17.113 1.00 21.12 H new ATOM 0 HZ1 LYS A 49 2.463 5.048 16.286 1.00 42.14 H new ATOM 0 HZ2 LYS A 49 4.042 4.424 16.308 1.00 42.14 H new ATOM 0 HZ3 LYS A 49 3.193 4.536 14.841 1.00 42.14 H new ATOM 720 N LYS A 50 0.754 -0.019 14.821 1.00 62.40 N ATOM 721 CA LYS A 50 0.049 -0.496 15.999 1.00 72.14 C ATOM 722 C LYS A 50 -0.330 -1.981 15.943 1.00 64.43 C ATOM 723 O LYS A 50 -0.047 -2.739 16.874 1.00 63.00 O ATOM 724 CB LYS A 50 -1.176 0.357 16.216 1.00 10.32 C ATOM 725 CG LYS A 50 -0.800 1.711 16.737 1.00 62.32 C ATOM 726 CD LYS A 50 -1.908 2.698 16.630 1.00 21.51 C ATOM 727 CE LYS A 50 -3.163 2.300 17.392 1.00 5.14 C ATOM 728 NZ LYS A 50 -4.201 3.355 17.309 1.00 41.44 N ATOM 0 H LYS A 50 0.261 0.723 14.325 1.00 62.40 H new ATOM 0 HA LYS A 50 0.736 -0.407 16.840 1.00 72.14 H new ATOM 0 HB2 LYS A 50 -1.721 0.462 15.278 1.00 10.32 H new ATOM 0 HB3 LYS A 50 -1.846 -0.135 16.921 1.00 10.32 H new ATOM 0 HG2 LYS A 50 -0.498 1.623 17.781 1.00 62.32 H new ATOM 0 HG3 LYS A 50 0.064 2.081 16.185 1.00 62.32 H new ATOM 0 HD2 LYS A 50 -1.560 3.662 17.001 1.00 21.51 H new ATOM 0 HD3 LYS A 50 -2.161 2.833 15.578 1.00 21.51 H new ATOM 0 HE2 LYS A 50 -3.556 1.367 16.987 1.00 5.14 H new ATOM 0 HE3 LYS A 50 -2.913 2.114 18.437 1.00 5.14 H new ATOM 0 HZ1 LYS A 50 -5.044 3.055 17.838 1.00 41.44 H new ATOM 0 HZ2 LYS A 50 -3.832 4.238 17.717 1.00 41.44 H new ATOM 0 HZ3 LYS A 50 -4.455 3.514 16.313 1.00 41.44 H new ATOM 742 N LYS A 51 -0.954 -2.395 14.858 1.00 32.03 N ATOM 743 CA LYS A 51 -1.439 -3.757 14.728 1.00 1.22 C ATOM 744 C LYS A 51 -0.399 -4.786 14.258 1.00 5.34 C ATOM 745 O LYS A 51 -0.381 -5.909 14.748 1.00 72.20 O ATOM 746 CB LYS A 51 -2.650 -3.803 13.829 1.00 11.22 C ATOM 747 CG LYS A 51 -3.858 -3.090 14.390 1.00 13.33 C ATOM 748 CD LYS A 51 -5.008 -3.211 13.436 1.00 11.23 C ATOM 749 CE LYS A 51 -6.271 -2.541 13.962 1.00 33.44 C ATOM 750 NZ LYS A 51 -6.742 -3.161 15.221 1.00 53.04 N ATOM 0 H LYS A 51 -1.139 -1.804 14.048 1.00 32.03 H new ATOM 0 HA LYS A 51 -1.700 -4.055 15.744 1.00 1.22 H new ATOM 0 HB2 LYS A 51 -2.393 -3.359 12.867 1.00 11.22 H new ATOM 0 HB3 LYS A 51 -2.911 -4.844 13.640 1.00 11.22 H new ATOM 0 HG2 LYS A 51 -4.128 -3.518 15.356 1.00 13.33 H new ATOM 0 HG3 LYS A 51 -3.624 -2.039 14.561 1.00 13.33 H new ATOM 0 HD2 LYS A 51 -4.733 -2.763 12.481 1.00 11.23 H new ATOM 0 HD3 LYS A 51 -5.211 -4.265 13.247 1.00 11.23 H new ATOM 0 HE2 LYS A 51 -6.077 -1.482 14.130 1.00 33.44 H new ATOM 0 HE3 LYS A 51 -7.057 -2.606 13.209 1.00 33.44 H new ATOM 0 HZ1 LYS A 51 -7.707 -2.834 15.429 1.00 53.04 H new ATOM 0 HZ2 LYS A 51 -6.741 -4.196 15.120 1.00 53.04 H new ATOM 0 HZ3 LYS A 51 -6.109 -2.889 16.000 1.00 53.04 H new ATOM 764 N PHE A 52 0.450 -4.421 13.312 1.00 62.40 N ATOM 765 CA PHE A 52 1.374 -5.402 12.719 1.00 34.54 C ATOM 766 C PHE A 52 2.768 -5.321 13.326 1.00 2.34 C ATOM 767 O PHE A 52 3.506 -6.316 13.329 1.00 73.54 O ATOM 768 CB PHE A 52 1.460 -5.219 11.178 1.00 61.54 C ATOM 769 CG PHE A 52 0.189 -5.543 10.397 1.00 11.32 C ATOM 770 CD1 PHE A 52 -1.068 -5.267 10.909 1.00 62.41 C ATOM 771 CD2 PHE A 52 0.271 -6.109 9.138 1.00 21.34 C ATOM 772 CE1 PHE A 52 -2.207 -5.549 10.195 1.00 24.11 C ATOM 773 CE2 PHE A 52 -0.872 -6.394 8.415 1.00 51.13 C ATOM 774 CZ PHE A 52 -2.112 -6.113 8.944 1.00 13.23 C ATOM 0 H PHE A 52 0.527 -3.476 12.937 1.00 62.40 H new ATOM 0 HA PHE A 52 0.969 -6.389 12.943 1.00 34.54 H new ATOM 0 HB2 PHE A 52 1.739 -4.186 10.969 1.00 61.54 H new ATOM 0 HB3 PHE A 52 2.266 -5.849 10.801 1.00 61.54 H new ATOM 0 HD1 PHE A 52 -1.154 -4.821 11.889 1.00 62.41 H new ATOM 0 HD2 PHE A 52 1.239 -6.331 8.715 1.00 21.34 H new ATOM 0 HE1 PHE A 52 -3.177 -5.328 10.616 1.00 24.11 H new ATOM 0 HE2 PHE A 52 -0.793 -6.838 7.434 1.00 51.13 H new ATOM 0 HZ PHE A 52 -3.006 -6.334 8.379 1.00 13.23 H new ATOM 784 N GLY A 53 3.106 -4.156 13.875 1.00 13.32 N ATOM 785 CA GLY A 53 4.411 -3.953 14.500 1.00 64.33 C ATOM 786 C GLY A 53 5.575 -4.284 13.579 1.00 63.52 C ATOM 787 O GLY A 53 6.434 -5.103 13.918 1.00 12.23 O ATOM 0 H GLY A 53 2.495 -3.339 13.900 1.00 13.32 H new ATOM 0 HA2 GLY A 53 4.495 -2.915 14.822 1.00 64.33 H new ATOM 0 HA3 GLY A 53 4.478 -4.571 15.395 1.00 64.33 H new ATOM 791 N GLY A 54 5.619 -3.656 12.427 1.00 62.44 N ATOM 792 CA GLY A 54 6.660 -3.965 11.473 1.00 74.15 C ATOM 793 C GLY A 54 7.644 -2.833 11.260 1.00 54.32 C ATOM 794 O GLY A 54 8.258 -2.745 10.204 1.00 50.25 O ATOM 0 H GLY A 54 4.957 -2.939 12.130 1.00 62.44 H new ATOM 0 HA2 GLY A 54 7.202 -4.847 11.813 1.00 74.15 H new ATOM 0 HA3 GLY A 54 6.201 -4.221 10.518 1.00 74.15 H new ATOM 798 N VAL A 55 7.823 -1.982 12.261 1.00 33.13 N ATOM 799 CA VAL A 55 8.714 -0.837 12.123 1.00 22.23 C ATOM 800 C VAL A 55 10.174 -1.276 11.991 1.00 62.23 C ATOM 801 O VAL A 55 10.872 -0.838 11.080 1.00 45.43 O ATOM 802 CB VAL A 55 8.540 0.174 13.282 1.00 44.35 C ATOM 803 CG1 VAL A 55 9.487 1.351 13.123 1.00 41.42 C ATOM 804 CG2 VAL A 55 7.107 0.665 13.325 1.00 23.04 C ATOM 0 H VAL A 55 7.368 -2.061 13.170 1.00 33.13 H new ATOM 0 HA VAL A 55 8.434 -0.327 11.202 1.00 22.23 H new ATOM 0 HB VAL A 55 8.778 -0.332 14.218 1.00 44.35 H new ATOM 0 HG11 VAL A 55 9.345 2.047 13.950 1.00 41.42 H new ATOM 0 HG12 VAL A 55 10.516 0.992 13.123 1.00 41.42 H new ATOM 0 HG13 VAL A 55 9.280 1.860 12.181 1.00 41.42 H new ATOM 0 HG21 VAL A 55 6.990 1.376 14.143 1.00 23.04 H new ATOM 0 HG22 VAL A 55 6.861 1.153 12.382 1.00 23.04 H new ATOM 0 HG23 VAL A 55 6.437 -0.181 13.481 1.00 23.04 H new ATOM 814 N GLN A 56 10.615 -2.174 12.860 1.00 1.14 N ATOM 815 CA GLN A 56 11.970 -2.682 12.819 1.00 65.33 C ATOM 816 C GLN A 56 12.180 -3.501 11.559 1.00 5.42 C ATOM 817 O GLN A 56 13.262 -3.489 10.975 1.00 3.34 O ATOM 818 CB GLN A 56 12.302 -3.530 14.058 1.00 51.11 C ATOM 819 CG GLN A 56 12.437 -2.796 15.408 1.00 13.33 C ATOM 820 CD GLN A 56 11.186 -2.065 15.863 1.00 1.12 C ATOM 821 OE1 GLN A 56 10.325 -2.646 16.524 1.00 11.23 O ATOM 822 NE2 GLN A 56 11.106 -0.786 15.574 1.00 0.43 N ATOM 0 H GLN A 56 10.044 -2.567 13.608 1.00 1.14 H new ATOM 0 HA GLN A 56 12.643 -1.825 12.815 1.00 65.33 H new ATOM 0 HB2 GLN A 56 11.527 -4.289 14.164 1.00 51.11 H new ATOM 0 HB3 GLN A 56 13.238 -4.055 13.865 1.00 51.11 H new ATOM 0 HG2 GLN A 56 12.716 -3.520 16.173 1.00 13.33 H new ATOM 0 HG3 GLN A 56 13.254 -2.078 15.335 1.00 13.33 H new ATOM 0 HE21 GLN A 56 11.840 -0.341 15.024 1.00 0.43 H new ATOM 0 HE22 GLN A 56 10.310 -0.238 15.900 1.00 0.43 H new ATOM 831 N GLU A 57 11.137 -4.186 11.129 1.00 43.04 N ATOM 832 CA GLU A 57 11.195 -4.982 9.921 1.00 62.23 C ATOM 833 C GLU A 57 11.478 -4.101 8.719 1.00 53.13 C ATOM 834 O GLU A 57 12.263 -4.442 7.833 1.00 4.25 O ATOM 835 CB GLU A 57 9.907 -5.717 9.724 1.00 22.33 C ATOM 836 CG GLU A 57 9.602 -6.648 10.858 1.00 63.32 C ATOM 837 CD GLU A 57 10.717 -7.622 11.146 1.00 32.14 C ATOM 838 OE1 GLU A 57 10.885 -8.588 10.383 1.00 41.22 O ATOM 839 OE2 GLU A 57 11.419 -7.454 12.163 1.00 44.12 O ATOM 0 H GLU A 57 10.234 -4.206 11.603 1.00 43.04 H new ATOM 0 HA GLU A 57 12.004 -5.706 10.023 1.00 62.23 H new ATOM 0 HB2 GLU A 57 9.094 -4.998 9.619 1.00 22.33 H new ATOM 0 HB3 GLU A 57 9.954 -6.284 8.794 1.00 22.33 H new ATOM 0 HG2 GLU A 57 9.399 -6.063 11.755 1.00 63.32 H new ATOM 0 HG3 GLU A 57 8.693 -7.204 10.628 1.00 63.32 H new ATOM 846 N LEU A 58 10.843 -2.951 8.713 1.00 72.31 N ATOM 847 CA LEU A 58 11.040 -1.973 7.680 1.00 74.53 C ATOM 848 C LEU A 58 12.395 -1.284 7.835 1.00 32.54 C ATOM 849 O LEU A 58 13.093 -1.046 6.853 1.00 13.20 O ATOM 850 CB LEU A 58 9.919 -0.930 7.712 1.00 51.30 C ATOM 851 CG LEU A 58 8.499 -1.453 7.483 1.00 22.43 C ATOM 852 CD1 LEU A 58 7.489 -0.329 7.620 1.00 63.43 C ATOM 853 CD2 LEU A 58 8.380 -2.107 6.121 1.00 31.31 C ATOM 0 H LEU A 58 10.173 -2.671 9.430 1.00 72.31 H new ATOM 0 HA LEU A 58 11.020 -2.488 6.719 1.00 74.53 H new ATOM 0 HB2 LEU A 58 9.947 -0.428 8.679 1.00 51.30 H new ATOM 0 HB3 LEU A 58 10.132 -0.176 6.955 1.00 51.30 H new ATOM 0 HG LEU A 58 8.287 -2.205 8.244 1.00 22.43 H new ATOM 0 HD11 LEU A 58 6.485 -0.720 7.454 1.00 63.43 H new ATOM 0 HD12 LEU A 58 7.552 0.096 8.622 1.00 63.43 H new ATOM 0 HD13 LEU A 58 7.704 0.445 6.883 1.00 63.43 H new ATOM 0 HD21 LEU A 58 7.362 -2.471 5.980 1.00 31.31 H new ATOM 0 HD22 LEU A 58 8.615 -1.378 5.346 1.00 31.31 H new ATOM 0 HD23 LEU A 58 9.077 -2.943 6.057 1.00 31.31 H new ATOM 865 N LEU A 59 12.755 -0.941 9.062 1.00 14.12 N ATOM 866 CA LEU A 59 14.009 -0.232 9.329 1.00 2.44 C ATOM 867 C LEU A 59 15.239 -1.054 9.006 1.00 34.53 C ATOM 868 O LEU A 59 16.207 -0.515 8.473 1.00 75.23 O ATOM 869 CB LEU A 59 14.065 0.340 10.745 1.00 74.53 C ATOM 870 CG LEU A 59 13.041 1.436 11.057 1.00 73.43 C ATOM 871 CD1 LEU A 59 13.193 1.919 12.478 1.00 41.33 C ATOM 872 CD2 LEU A 59 13.183 2.600 10.092 1.00 62.15 C ATOM 0 H LEU A 59 12.199 -1.140 9.894 1.00 14.12 H new ATOM 0 HA LEU A 59 14.018 0.613 8.641 1.00 2.44 H new ATOM 0 HB2 LEU A 59 13.924 -0.476 11.453 1.00 74.53 H new ATOM 0 HB3 LEU A 59 15.064 0.741 10.916 1.00 74.53 H new ATOM 0 HG LEU A 59 12.046 1.008 10.938 1.00 73.43 H new ATOM 0 HD11 LEU A 59 12.456 2.697 12.679 1.00 41.33 H new ATOM 0 HD12 LEU A 59 13.037 1.086 13.164 1.00 41.33 H new ATOM 0 HD13 LEU A 59 14.195 2.323 12.620 1.00 41.33 H new ATOM 0 HD21 LEU A 59 12.445 3.365 10.334 1.00 62.15 H new ATOM 0 HD22 LEU A 59 14.184 3.022 10.176 1.00 62.15 H new ATOM 0 HD23 LEU A 59 13.021 2.249 9.073 1.00 62.15 H new ATOM 884 N ASN A 60 15.205 -2.347 9.304 1.00 24.02 N ATOM 885 CA ASN A 60 16.331 -3.235 8.949 1.00 3.43 C ATOM 886 C ASN A 60 16.542 -3.332 7.442 1.00 3.11 C ATOM 887 O ASN A 60 17.661 -3.563 6.979 1.00 54.44 O ATOM 888 CB ASN A 60 16.222 -4.642 9.562 1.00 74.41 C ATOM 889 CG ASN A 60 16.563 -4.705 11.046 1.00 1.11 C ATOM 890 OD1 ASN A 60 17.726 -4.897 11.415 1.00 12.55 O ATOM 891 ND2 ASN A 60 15.582 -4.575 11.895 1.00 33.33 N ATOM 0 H ASN A 60 14.430 -2.808 9.781 1.00 24.02 H new ATOM 0 HA ASN A 60 17.207 -2.760 9.390 1.00 3.43 H new ATOM 0 HB2 ASN A 60 15.207 -5.011 9.418 1.00 74.41 H new ATOM 0 HB3 ASN A 60 16.886 -5.315 9.019 1.00 74.41 H new ATOM 0 HD21 ASN A 60 15.764 -4.631 12.897 1.00 33.33 H new ATOM 0 HD22 ASN A 60 14.633 -4.417 11.557 1.00 33.33 H new ATOM 898 N GLN A 61 15.482 -3.144 6.673 1.00 23.03 N ATOM 899 CA GLN A 61 15.602 -3.182 5.219 1.00 74.12 C ATOM 900 C GLN A 61 16.213 -1.886 4.664 1.00 64.31 C ATOM 901 O GLN A 61 16.702 -1.877 3.541 1.00 44.54 O ATOM 902 CB GLN A 61 14.260 -3.498 4.530 1.00 1.22 C ATOM 903 CG GLN A 61 13.704 -4.883 4.857 1.00 51.22 C ATOM 904 CD GLN A 61 12.451 -5.231 4.061 1.00 61.54 C ATOM 905 OE1 GLN A 61 12.534 -5.788 2.967 1.00 34.11 O ATOM 906 NE2 GLN A 61 11.290 -4.923 4.594 1.00 63.43 N ATOM 0 H GLN A 61 14.540 -2.966 7.022 1.00 23.03 H new ATOM 0 HA GLN A 61 16.285 -3.999 4.988 1.00 74.12 H new ATOM 0 HB2 GLN A 61 13.527 -2.746 4.822 1.00 1.22 H new ATOM 0 HB3 GLN A 61 14.389 -3.415 3.451 1.00 1.22 H new ATOM 0 HG2 GLN A 61 14.472 -5.631 4.659 1.00 51.22 H new ATOM 0 HG3 GLN A 61 13.476 -4.934 5.922 1.00 51.22 H new ATOM 0 HE21 GLN A 61 11.252 -4.461 5.503 1.00 63.43 H new ATOM 0 HE22 GLN A 61 10.426 -5.146 4.099 1.00 63.43 H new ATOM 915 N GLN A 62 16.194 -0.813 5.498 1.00 25.10 N ATOM 916 CA GLN A 62 16.680 0.513 5.207 1.00 71.53 C ATOM 917 C GLN A 62 16.347 1.010 3.802 1.00 34.44 C ATOM 918 O GLN A 62 17.017 0.677 2.832 1.00 23.23 O ATOM 919 CB GLN A 62 18.138 0.657 5.505 1.00 41.42 C ATOM 920 CG GLN A 62 18.502 2.088 5.563 1.00 22.54 C ATOM 921 CD GLN A 62 19.961 2.344 5.820 1.00 20.44 C ATOM 922 OE1 GLN A 62 20.637 1.560 6.476 1.00 44.30 O ATOM 923 NE2 GLN A 62 20.452 3.446 5.326 1.00 12.13 N ATOM 0 H GLN A 62 15.811 -0.881 6.441 1.00 25.10 H new ATOM 0 HA GLN A 62 16.130 1.165 5.886 1.00 71.53 H new ATOM 0 HB2 GLN A 62 18.373 0.175 6.454 1.00 41.42 H new ATOM 0 HB3 GLN A 62 18.726 0.154 4.737 1.00 41.42 H new ATOM 0 HG2 GLN A 62 18.222 2.561 4.622 1.00 22.54 H new ATOM 0 HG3 GLN A 62 17.917 2.568 6.347 1.00 22.54 H new ATOM 0 HE21 GLN A 62 19.856 4.072 4.785 1.00 12.13 H new ATOM 0 HE22 GLN A 62 21.432 3.682 5.480 1.00 12.13 H new ATOM 932 N LYS A 63 15.335 1.812 3.695 1.00 15.32 N ATOM 933 CA LYS A 63 14.891 2.245 2.429 1.00 2.24 C ATOM 934 C LYS A 63 15.444 3.610 2.126 1.00 0.44 C ATOM 935 O LYS A 63 15.797 4.355 3.042 1.00 65.34 O ATOM 936 CB LYS A 63 13.369 2.368 2.403 1.00 71.35 C ATOM 937 CG LYS A 63 12.589 1.124 2.813 1.00 24.22 C ATOM 938 CD LYS A 63 12.755 0.791 4.278 1.00 21.13 C ATOM 939 CE LYS A 63 12.141 1.879 5.169 1.00 55.53 C ATOM 940 NZ LYS A 63 12.467 1.702 6.599 1.00 11.12 N ATOM 0 H LYS A 63 14.803 2.178 4.484 1.00 15.32 H new ATOM 0 HA LYS A 63 15.229 1.511 1.697 1.00 2.24 H new ATOM 0 HB2 LYS A 63 13.080 3.187 3.061 1.00 71.35 H new ATOM 0 HB3 LYS A 63 13.064 2.647 1.394 1.00 71.35 H new ATOM 0 HG2 LYS A 63 11.532 1.275 2.596 1.00 24.22 H new ATOM 0 HG3 LYS A 63 12.920 0.277 2.212 1.00 24.22 H new ATOM 0 HD2 LYS A 63 12.281 -0.167 4.491 1.00 21.13 H new ATOM 0 HD3 LYS A 63 13.814 0.682 4.511 1.00 21.13 H new ATOM 0 HE2 LYS A 63 12.496 2.855 4.839 1.00 55.53 H new ATOM 0 HE3 LYS A 63 11.058 1.875 5.045 1.00 55.53 H new ATOM 0 HZ1 LYS A 63 11.589 1.570 7.141 1.00 11.12 H new ATOM 0 HZ2 LYS A 63 13.075 0.866 6.716 1.00 11.12 H new ATOM 0 HZ3 LYS A 63 12.967 2.545 6.948 1.00 11.12 H new ATOM 954 N LYS A 64 15.533 3.937 0.877 1.00 51.45 N ATOM 955 CA LYS A 64 15.821 5.292 0.486 1.00 33.22 C ATOM 956 C LYS A 64 14.500 5.913 0.125 1.00 74.53 C ATOM 957 O LYS A 64 13.488 5.209 0.022 1.00 50.10 O ATOM 958 CB LYS A 64 16.728 5.375 -0.751 1.00 22.20 C ATOM 959 CG LYS A 64 18.113 4.777 -0.634 1.00 40.12 C ATOM 960 CD LYS A 64 18.944 5.432 0.450 1.00 61.43 C ATOM 961 CE LYS A 64 20.397 4.967 0.377 1.00 13.24 C ATOM 962 NZ LYS A 64 20.530 3.500 0.453 1.00 3.32 N ATOM 0 H LYS A 64 15.411 3.285 0.102 1.00 51.45 H new ATOM 0 HA LYS A 64 16.337 5.794 1.304 1.00 33.22 H new ATOM 0 HB2 LYS A 64 16.217 4.883 -1.579 1.00 22.20 H new ATOM 0 HB3 LYS A 64 16.835 6.425 -1.021 1.00 22.20 H new ATOM 0 HG2 LYS A 64 18.027 3.711 -0.426 1.00 40.12 H new ATOM 0 HG3 LYS A 64 18.628 4.875 -1.590 1.00 40.12 H new ATOM 0 HD2 LYS A 64 18.899 6.516 0.344 1.00 61.43 H new ATOM 0 HD3 LYS A 64 18.529 5.190 1.428 1.00 61.43 H new ATOM 0 HE2 LYS A 64 20.841 5.320 -0.554 1.00 13.24 H new ATOM 0 HE3 LYS A 64 20.961 5.421 1.192 1.00 13.24 H new ATOM 0 HZ1 LYS A 64 21.532 3.248 0.570 1.00 3.32 H new ATOM 0 HZ2 LYS A 64 19.987 3.144 1.265 1.00 3.32 H new ATOM 0 HZ3 LYS A 64 20.165 3.073 -0.422 1.00 3.32 H new ATOM 976 N SER A 65 14.484 7.181 -0.057 1.00 51.23 N ATOM 977 CA SER A 65 13.303 7.830 -0.525 1.00 51.21 C ATOM 978 C SER A 65 13.129 7.491 -2.014 1.00 62.22 C ATOM 979 O SER A 65 14.065 7.652 -2.807 1.00 53.12 O ATOM 980 CB SER A 65 13.437 9.314 -0.295 1.00 51.23 C ATOM 981 OG SER A 65 13.713 9.573 1.081 1.00 23.21 O ATOM 0 H SER A 65 15.278 7.800 0.110 1.00 51.23 H new ATOM 0 HA SER A 65 12.418 7.490 0.013 1.00 51.21 H new ATOM 0 HB2 SER A 65 14.237 9.716 -0.917 1.00 51.23 H new ATOM 0 HB3 SER A 65 12.518 9.820 -0.592 1.00 51.23 H new ATOM 0 HG SER A 65 14.109 10.465 1.173 1.00 23.21 H new ATOM 987 N GLY A 66 11.972 6.987 -2.380 1.00 64.12 N ATOM 988 CA GLY A 66 11.756 6.547 -3.740 1.00 0.50 C ATOM 989 C GLY A 66 11.881 5.036 -3.855 1.00 60.34 C ATOM 990 O GLY A 66 11.949 4.488 -4.947 1.00 24.34 O ATOM 0 H GLY A 66 11.171 6.872 -1.760 1.00 64.12 H new ATOM 0 HA2 GLY A 66 10.766 6.859 -4.073 1.00 0.50 H new ATOM 0 HA3 GLY A 66 12.480 7.026 -4.399 1.00 0.50 H new ATOM 994 N GLU A 67 11.905 4.380 -2.720 1.00 44.11 N ATOM 995 CA GLU A 67 12.008 2.945 -2.640 1.00 62.01 C ATOM 996 C GLU A 67 10.766 2.409 -1.988 1.00 51.43 C ATOM 997 O GLU A 67 10.010 3.158 -1.371 1.00 54.12 O ATOM 998 CB GLU A 67 13.230 2.505 -1.830 1.00 62.13 C ATOM 999 CG GLU A 67 14.564 2.958 -2.383 1.00 71.34 C ATOM 1000 CD GLU A 67 14.813 2.489 -3.790 1.00 72.31 C ATOM 1001 OE1 GLU A 67 14.893 1.265 -4.017 1.00 32.11 O ATOM 1002 OE2 GLU A 67 14.977 3.329 -4.676 1.00 23.45 O ATOM 0 H GLU A 67 11.852 4.838 -1.810 1.00 44.11 H new ATOM 0 HA GLU A 67 12.120 2.554 -3.651 1.00 62.01 H new ATOM 0 HB2 GLU A 67 13.128 2.884 -0.813 1.00 62.13 H new ATOM 0 HB3 GLU A 67 13.231 1.417 -1.766 1.00 62.13 H new ATOM 0 HG2 GLU A 67 14.610 4.047 -2.356 1.00 71.34 H new ATOM 0 HG3 GLU A 67 15.361 2.589 -1.738 1.00 71.34 H new ATOM 1009 N VAL A 68 10.532 1.150 -2.138 1.00 50.11 N ATOM 1010 CA VAL A 68 9.379 0.546 -1.544 1.00 30.11 C ATOM 1011 C VAL A 68 9.815 -0.569 -0.589 1.00 52.21 C ATOM 1012 O VAL A 68 10.756 -1.327 -0.881 1.00 31.42 O ATOM 1013 CB VAL A 68 8.397 -0.009 -2.631 1.00 72.05 C ATOM 1014 CG1 VAL A 68 8.988 -1.176 -3.409 1.00 35.31 C ATOM 1015 CG2 VAL A 68 7.068 -0.391 -2.033 1.00 74.05 C ATOM 0 H VAL A 68 11.125 0.512 -2.669 1.00 50.11 H new ATOM 0 HA VAL A 68 8.842 1.310 -0.982 1.00 30.11 H new ATOM 0 HB VAL A 68 8.235 0.804 -3.339 1.00 72.05 H new ATOM 0 HG11 VAL A 68 8.267 -1.522 -4.149 1.00 35.31 H new ATOM 0 HG12 VAL A 68 9.899 -0.853 -3.913 1.00 35.31 H new ATOM 0 HG13 VAL A 68 9.223 -1.989 -2.722 1.00 35.31 H new ATOM 0 HG21 VAL A 68 6.413 -0.772 -2.816 1.00 74.05 H new ATOM 0 HG22 VAL A 68 7.217 -1.163 -1.278 1.00 74.05 H new ATOM 0 HG23 VAL A 68 6.611 0.485 -1.572 1.00 74.05 H new ATOM 1025 N ALA A 69 9.193 -0.620 0.555 1.00 34.13 N ATOM 1026 CA ALA A 69 9.451 -1.667 1.511 1.00 33.32 C ATOM 1027 C ALA A 69 8.320 -2.656 1.449 1.00 14.15 C ATOM 1028 O ALA A 69 7.171 -2.267 1.221 1.00 23.25 O ATOM 1029 CB ALA A 69 9.611 -1.104 2.907 1.00 75.32 C ATOM 0 H ALA A 69 8.494 0.060 0.854 1.00 34.13 H new ATOM 0 HA ALA A 69 10.388 -2.167 1.264 1.00 33.32 H new ATOM 0 HB1 ALA A 69 9.805 -1.917 3.607 1.00 75.32 H new ATOM 0 HB2 ALA A 69 10.446 -0.404 2.923 1.00 75.32 H new ATOM 0 HB3 ALA A 69 8.697 -0.585 3.197 1.00 75.32 H new ATOM 1035 N VAL A 70 8.624 -3.917 1.625 1.00 43.22 N ATOM 1036 CA VAL A 70 7.621 -4.947 1.480 1.00 42.45 C ATOM 1037 C VAL A 70 7.622 -5.878 2.686 1.00 74.20 C ATOM 1038 O VAL A 70 8.689 -6.268 3.179 1.00 34.12 O ATOM 1039 CB VAL A 70 7.874 -5.808 0.200 1.00 64.42 C ATOM 1040 CG1 VAL A 70 6.768 -6.823 -0.009 1.00 63.23 C ATOM 1041 CG2 VAL A 70 8.059 -4.948 -1.049 1.00 42.42 C ATOM 0 H VAL A 70 9.554 -4.257 1.868 1.00 43.22 H new ATOM 0 HA VAL A 70 6.658 -4.442 1.398 1.00 42.45 H new ATOM 0 HB VAL A 70 8.807 -6.346 0.366 1.00 64.42 H new ATOM 0 HG11 VAL A 70 6.974 -7.406 -0.907 1.00 63.23 H new ATOM 0 HG12 VAL A 70 6.718 -7.489 0.852 1.00 63.23 H new ATOM 0 HG13 VAL A 70 5.816 -6.305 -0.123 1.00 63.23 H new ATOM 0 HG21 VAL A 70 8.232 -5.592 -1.912 1.00 42.42 H new ATOM 0 HG22 VAL A 70 7.162 -4.351 -1.216 1.00 42.42 H new ATOM 0 HG23 VAL A 70 8.915 -4.287 -0.912 1.00 42.42 H new ATOM 1051 N LEU A 71 6.441 -6.209 3.149 1.00 43.32 N ATOM 1052 CA LEU A 71 6.230 -7.175 4.223 1.00 14.24 C ATOM 1053 C LEU A 71 5.265 -8.226 3.712 1.00 11.03 C ATOM 1054 O LEU A 71 4.361 -7.891 2.962 1.00 72.23 O ATOM 1055 CB LEU A 71 5.604 -6.497 5.461 1.00 12.34 C ATOM 1056 CG LEU A 71 6.407 -5.357 6.108 1.00 24.54 C ATOM 1057 CD1 LEU A 71 5.696 -4.841 7.350 1.00 44.13 C ATOM 1058 CD2 LEU A 71 7.825 -5.806 6.448 1.00 72.23 C ATOM 0 H LEU A 71 5.574 -5.811 2.788 1.00 43.32 H new ATOM 0 HA LEU A 71 7.187 -7.609 4.512 1.00 14.24 H new ATOM 0 HB2 LEU A 71 4.627 -6.105 5.176 1.00 12.34 H new ATOM 0 HB3 LEU A 71 5.432 -7.263 6.217 1.00 12.34 H new ATOM 0 HG LEU A 71 6.477 -4.543 5.386 1.00 24.54 H new ATOM 0 HD11 LEU A 71 6.279 -4.034 7.794 1.00 44.13 H new ATOM 0 HD12 LEU A 71 4.710 -4.467 7.076 1.00 44.13 H new ATOM 0 HD13 LEU A 71 5.589 -5.651 8.071 1.00 44.13 H new ATOM 0 HD21 LEU A 71 8.369 -4.979 6.904 1.00 72.23 H new ATOM 0 HD22 LEU A 71 7.784 -6.642 7.146 1.00 72.23 H new ATOM 0 HD23 LEU A 71 8.336 -6.118 5.537 1.00 72.23 H new ATOM 1070 N LYS A 72 5.442 -9.474 4.068 1.00 22.32 N ATOM 1071 CA LYS A 72 4.483 -10.462 3.632 1.00 11.20 C ATOM 1072 C LYS A 72 3.666 -10.969 4.789 1.00 42.53 C ATOM 1073 O LYS A 72 4.193 -11.454 5.791 1.00 42.34 O ATOM 1074 CB LYS A 72 5.098 -11.624 2.853 1.00 51.31 C ATOM 1075 CG LYS A 72 4.041 -12.594 2.310 1.00 21.04 C ATOM 1076 CD LYS A 72 4.639 -13.740 1.507 1.00 65.10 C ATOM 1077 CE LYS A 72 3.531 -14.644 0.961 1.00 70.23 C ATOM 1078 NZ LYS A 72 4.053 -15.768 0.150 1.00 35.11 N ATOM 0 H LYS A 72 6.212 -9.824 4.638 1.00 22.32 H new ATOM 0 HA LYS A 72 3.828 -9.945 2.930 1.00 11.20 H new ATOM 0 HB2 LYS A 72 5.685 -11.230 2.023 1.00 51.31 H new ATOM 0 HB3 LYS A 72 5.786 -12.167 3.501 1.00 51.31 H new ATOM 0 HG2 LYS A 72 3.469 -13.002 3.143 1.00 21.04 H new ATOM 0 HG3 LYS A 72 3.341 -12.044 1.681 1.00 21.04 H new ATOM 0 HD2 LYS A 72 5.233 -13.344 0.683 1.00 65.10 H new ATOM 0 HD3 LYS A 72 5.314 -14.320 2.136 1.00 65.10 H new ATOM 0 HE2 LYS A 72 2.950 -15.042 1.793 1.00 70.23 H new ATOM 0 HE3 LYS A 72 2.850 -14.049 0.353 1.00 70.23 H new ATOM 0 HZ1 LYS A 72 3.260 -16.346 -0.193 1.00 35.11 H new ATOM 0 HZ2 LYS A 72 4.585 -15.393 -0.661 1.00 35.11 H new ATOM 0 HZ3 LYS A 72 4.682 -16.355 0.734 1.00 35.11 H new ATOM 1092 N ARG A 73 2.398 -10.859 4.635 1.00 33.12 N ATOM 1093 CA ARG A 73 1.442 -11.290 5.609 1.00 35.53 C ATOM 1094 C ARG A 73 0.725 -12.506 5.109 1.00 1.45 C ATOM 1095 O ARG A 73 1.185 -13.140 4.158 1.00 22.20 O ATOM 1096 CB ARG A 73 0.470 -10.148 5.926 1.00 21.13 C ATOM 1097 CG ARG A 73 1.056 -9.070 6.833 1.00 71.53 C ATOM 1098 CD ARG A 73 1.103 -9.526 8.302 1.00 74.11 C ATOM 1099 NE ARG A 73 1.878 -10.757 8.512 1.00 71.21 N ATOM 1100 CZ ARG A 73 1.463 -11.813 9.236 1.00 32.20 C ATOM 1101 NH1 ARG A 73 0.268 -11.795 9.838 1.00 65.32 N ATOM 1102 NH2 ARG A 73 2.243 -12.877 9.353 1.00 14.33 N ATOM 0 H ARG A 73 1.974 -10.453 3.801 1.00 33.12 H new ATOM 0 HA ARG A 73 1.952 -11.558 6.534 1.00 35.53 H new ATOM 0 HB2 ARG A 73 0.149 -9.688 4.992 1.00 21.13 H new ATOM 0 HB3 ARG A 73 -0.420 -10.563 6.399 1.00 21.13 H new ATOM 0 HG2 ARG A 73 2.062 -8.820 6.497 1.00 71.53 H new ATOM 0 HG3 ARG A 73 0.458 -8.162 6.753 1.00 71.53 H new ATOM 0 HD2 ARG A 73 1.533 -8.728 8.908 1.00 74.11 H new ATOM 0 HD3 ARG A 73 0.085 -9.683 8.658 1.00 74.11 H new ATOM 0 HE ARG A 73 2.799 -10.815 8.077 1.00 71.21 H new ATOM 0 HH11 ARG A 73 -0.335 -10.977 9.750 1.00 65.32 H new ATOM 0 HH12 ARG A 73 -0.040 -12.599 10.385 1.00 65.32 H new ATOM 0 HH21 ARG A 73 3.154 -12.894 8.895 1.00 14.33 H new ATOM 0 HH22 ARG A 73 1.932 -13.679 9.901 1.00 14.33 H new ATOM 1116 N ASP A 74 -0.363 -12.851 5.755 1.00 34.21 N ATOM 1117 CA ASP A 74 -1.166 -13.997 5.366 1.00 32.44 C ATOM 1118 C ASP A 74 -1.725 -13.814 3.960 1.00 22.33 C ATOM 1119 O ASP A 74 -2.669 -13.042 3.739 1.00 54.03 O ATOM 1120 CB ASP A 74 -2.287 -14.228 6.388 1.00 52.20 C ATOM 1121 CG ASP A 74 -3.228 -15.367 6.035 1.00 70.20 C ATOM 1122 OD1 ASP A 74 -2.878 -16.543 6.271 1.00 11.42 O ATOM 1123 OD2 ASP A 74 -4.342 -15.095 5.542 1.00 32.34 O ATOM 0 H ASP A 74 -0.721 -12.348 6.567 1.00 34.21 H new ATOM 0 HA ASP A 74 -0.530 -14.882 5.353 1.00 32.44 H new ATOM 0 HB2 ASP A 74 -1.840 -14.430 7.361 1.00 52.20 H new ATOM 0 HB3 ASP A 74 -2.867 -13.310 6.488 1.00 52.20 H new ATOM 1128 N GLY A 75 -1.079 -14.446 3.006 1.00 3.21 N ATOM 1129 CA GLY A 75 -1.528 -14.410 1.636 1.00 2.23 C ATOM 1130 C GLY A 75 -0.988 -13.229 0.826 1.00 71.33 C ATOM 1131 O GLY A 75 -0.470 -13.417 -0.276 1.00 30.31 O ATOM 0 H GLY A 75 -0.233 -14.996 3.158 1.00 3.21 H new ATOM 0 HA2 GLY A 75 -1.233 -15.337 1.145 1.00 2.23 H new ATOM 0 HA3 GLY A 75 -2.617 -14.376 1.624 1.00 2.23 H new ATOM 1135 N ARG A 76 -1.078 -12.029 1.367 1.00 31.00 N ATOM 1136 CA ARG A 76 -0.736 -10.839 0.592 1.00 64.45 C ATOM 1137 C ARG A 76 0.464 -10.072 1.137 1.00 1.11 C ATOM 1138 O ARG A 76 0.889 -10.272 2.286 1.00 74.32 O ATOM 1139 CB ARG A 76 -1.947 -9.912 0.455 1.00 25.41 C ATOM 1140 CG ARG A 76 -2.523 -9.390 1.769 1.00 60.14 C ATOM 1141 CD ARG A 76 -3.702 -8.479 1.492 1.00 21.12 C ATOM 1142 NE ARG A 76 -4.326 -7.918 2.695 1.00 2.43 N ATOM 1143 CZ ARG A 76 -5.207 -6.903 2.673 1.00 41.52 C ATOM 1144 NH1 ARG A 76 -5.571 -6.364 1.517 1.00 60.43 N ATOM 1145 NH2 ARG A 76 -5.727 -6.445 3.806 1.00 32.44 N ATOM 0 H ARG A 76 -1.379 -11.847 2.324 1.00 31.00 H new ATOM 0 HA ARG A 76 -0.442 -11.201 -0.393 1.00 64.45 H new ATOM 0 HB2 ARG A 76 -1.663 -9.059 -0.162 1.00 25.41 H new ATOM 0 HB3 ARG A 76 -2.733 -10.445 -0.080 1.00 25.41 H new ATOM 0 HG2 ARG A 76 -2.837 -10.225 2.395 1.00 60.14 H new ATOM 0 HG3 ARG A 76 -1.756 -8.848 2.322 1.00 60.14 H new ATOM 0 HD2 ARG A 76 -3.371 -7.660 0.853 1.00 21.12 H new ATOM 0 HD3 ARG A 76 -4.454 -9.036 0.933 1.00 21.12 H new ATOM 0 HE ARG A 76 -4.078 -8.321 3.599 1.00 2.43 H new ATOM 0 HH11 ARG A 76 -5.182 -6.720 0.644 1.00 60.43 H new ATOM 0 HH12 ARG A 76 -6.240 -5.594 1.501 1.00 60.43 H new ATOM 0 HH21 ARG A 76 -5.458 -6.864 4.696 1.00 32.44 H new ATOM 0 HH22 ARG A 76 -6.395 -5.675 3.786 1.00 32.44 H new ATOM 1159 N TYR A 77 0.999 -9.199 0.301 1.00 0.31 N ATOM 1160 CA TYR A 77 2.125 -8.361 0.651 1.00 31.53 C ATOM 1161 C TYR A 77 1.652 -6.987 1.111 1.00 54.25 C ATOM 1162 O TYR A 77 0.583 -6.507 0.702 1.00 4.12 O ATOM 1163 CB TYR A 77 3.079 -8.181 -0.539 1.00 52.52 C ATOM 1164 CG TYR A 77 3.805 -9.428 -0.994 1.00 2.51 C ATOM 1165 CD1 TYR A 77 4.977 -9.823 -0.370 1.00 21.12 C ATOM 1166 CD2 TYR A 77 3.341 -10.192 -2.058 1.00 12.11 C ATOM 1167 CE1 TYR A 77 5.668 -10.937 -0.786 1.00 74.30 C ATOM 1168 CE2 TYR A 77 4.028 -11.319 -2.479 1.00 10.04 C ATOM 1169 CZ TYR A 77 5.195 -11.683 -1.835 1.00 32.20 C ATOM 1170 OH TYR A 77 5.897 -12.792 -2.251 1.00 50.44 O ATOM 0 H TYR A 77 0.658 -9.053 -0.649 1.00 0.31 H new ATOM 0 HA TYR A 77 2.655 -8.860 1.462 1.00 31.53 H new ATOM 0 HB2 TYR A 77 2.510 -7.787 -1.381 1.00 52.52 H new ATOM 0 HB3 TYR A 77 3.821 -7.427 -0.275 1.00 52.52 H new ATOM 0 HD1 TYR A 77 5.356 -9.245 0.460 1.00 21.12 H new ATOM 0 HD2 TYR A 77 2.432 -9.903 -2.564 1.00 12.11 H new ATOM 0 HE1 TYR A 77 6.582 -11.224 -0.287 1.00 74.30 H new ATOM 0 HE2 TYR A 77 3.655 -11.908 -3.304 1.00 10.04 H new ATOM 0 HH TYR A 77 6.099 -12.712 -3.207 1.00 50.44 H new ATOM 1180 N ILE A 78 2.428 -6.378 1.963 1.00 32.22 N ATOM 1181 CA ILE A 78 2.166 -5.055 2.442 1.00 15.02 C ATOM 1182 C ILE A 78 3.274 -4.161 1.896 1.00 44.13 C ATOM 1183 O ILE A 78 4.458 -4.447 2.102 1.00 2.21 O ATOM 1184 CB ILE A 78 2.230 -4.981 3.993 1.00 35.21 C ATOM 1185 CG1 ILE A 78 1.463 -6.137 4.654 1.00 65.31 C ATOM 1186 CG2 ILE A 78 1.656 -3.658 4.465 1.00 13.41 C ATOM 1187 CD1 ILE A 78 -0.009 -6.178 4.337 1.00 75.32 C ATOM 0 H ILE A 78 3.274 -6.796 2.349 1.00 32.22 H new ATOM 0 HA ILE A 78 1.169 -4.751 2.122 1.00 15.02 H new ATOM 0 HB ILE A 78 3.277 -5.063 4.286 1.00 35.21 H new ATOM 0 HG12 ILE A 78 1.914 -7.079 4.343 1.00 65.31 H new ATOM 0 HG13 ILE A 78 1.586 -6.066 5.735 1.00 65.31 H new ATOM 0 HG21 ILE A 78 1.702 -3.609 5.553 1.00 13.41 H new ATOM 0 HG22 ILE A 78 2.235 -2.838 4.040 1.00 13.41 H new ATOM 0 HG23 ILE A 78 0.618 -3.576 4.142 1.00 13.41 H new ATOM 0 HD11 ILE A 78 -0.467 -7.026 4.846 1.00 75.32 H new ATOM 0 HD12 ILE A 78 -0.480 -5.254 4.674 1.00 75.32 H new ATOM 0 HD13 ILE A 78 -0.147 -6.284 3.261 1.00 75.32 H new ATOM 1199 N TYR A 79 2.905 -3.131 1.197 1.00 41.33 N ATOM 1200 CA TYR A 79 3.856 -2.221 0.614 1.00 43.34 C ATOM 1201 C TYR A 79 3.918 -0.924 1.359 1.00 60.30 C ATOM 1202 O TYR A 79 2.907 -0.429 1.899 1.00 24.23 O ATOM 1203 CB TYR A 79 3.538 -1.949 -0.852 1.00 45.44 C ATOM 1204 CG TYR A 79 3.673 -3.148 -1.721 1.00 34.32 C ATOM 1205 CD1 TYR A 79 2.612 -4.015 -1.915 1.00 3.11 C ATOM 1206 CD2 TYR A 79 4.868 -3.423 -2.338 1.00 24.41 C ATOM 1207 CE1 TYR A 79 2.752 -5.131 -2.696 1.00 61.14 C ATOM 1208 CE2 TYR A 79 5.018 -4.524 -3.124 1.00 44.31 C ATOM 1209 CZ TYR A 79 3.965 -5.382 -3.303 1.00 35.03 C ATOM 1210 OH TYR A 79 4.136 -6.505 -4.082 1.00 72.32 O ATOM 0 H TYR A 79 1.931 -2.893 1.011 1.00 41.33 H new ATOM 0 HA TYR A 79 4.830 -2.706 0.683 1.00 43.34 H new ATOM 0 HB2 TYR A 79 2.520 -1.567 -0.930 1.00 45.44 H new ATOM 0 HB3 TYR A 79 4.202 -1.167 -1.220 1.00 45.44 H new ATOM 0 HD1 TYR A 79 1.662 -3.809 -1.445 1.00 3.11 H new ATOM 0 HD2 TYR A 79 5.704 -2.754 -2.197 1.00 24.41 H new ATOM 0 HE1 TYR A 79 1.922 -5.807 -2.835 1.00 61.14 H new ATOM 0 HE2 TYR A 79 5.965 -4.721 -3.605 1.00 44.31 H new ATOM 0 HH TYR A 79 3.839 -6.317 -4.997 1.00 72.32 H new ATOM 1220 N TYR A 80 5.090 -0.391 1.411 1.00 74.34 N ATOM 1221 CA TYR A 80 5.344 0.876 2.005 1.00 72.21 C ATOM 1222 C TYR A 80 6.180 1.709 1.066 1.00 2.42 C ATOM 1223 O TYR A 80 7.381 1.477 0.918 1.00 32.32 O ATOM 1224 CB TYR A 80 6.037 0.719 3.356 1.00 14.34 C ATOM 1225 CG TYR A 80 5.188 0.053 4.413 1.00 51.15 C ATOM 1226 CD1 TYR A 80 4.363 0.807 5.237 1.00 61.23 C ATOM 1227 CD2 TYR A 80 5.203 -1.324 4.581 1.00 12.32 C ATOM 1228 CE1 TYR A 80 3.580 0.208 6.197 1.00 30.42 C ATOM 1229 CE2 TYR A 80 4.422 -1.929 5.535 1.00 20.51 C ATOM 1230 CZ TYR A 80 3.611 -1.158 6.341 1.00 50.21 C ATOM 1231 OH TYR A 80 2.822 -1.759 7.287 1.00 55.20 O ATOM 0 H TYR A 80 5.923 -0.839 1.030 1.00 74.34 H new ATOM 0 HA TYR A 80 4.395 1.381 2.183 1.00 72.21 H new ATOM 0 HB2 TYR A 80 6.949 0.138 3.219 1.00 14.34 H new ATOM 0 HB3 TYR A 80 6.338 1.704 3.714 1.00 14.34 H new ATOM 0 HD1 TYR A 80 4.335 1.881 5.123 1.00 61.23 H new ATOM 0 HD2 TYR A 80 5.839 -1.930 3.952 1.00 12.32 H new ATOM 0 HE1 TYR A 80 2.945 0.808 6.833 1.00 30.42 H new ATOM 0 HE2 TYR A 80 4.443 -3.002 5.653 1.00 20.51 H new ATOM 0 HH TYR A 80 2.960 -2.729 7.260 1.00 55.20 H new ATOM 1241 N LEU A 81 5.529 2.626 0.401 1.00 62.21 N ATOM 1242 CA LEU A 81 6.165 3.527 -0.528 1.00 24.02 C ATOM 1243 C LEU A 81 6.875 4.580 0.263 1.00 14.41 C ATOM 1244 O LEU A 81 6.246 5.311 1.032 1.00 14.20 O ATOM 1245 CB LEU A 81 5.090 4.201 -1.385 1.00 65.32 C ATOM 1246 CG LEU A 81 4.190 3.271 -2.197 1.00 53.13 C ATOM 1247 CD1 LEU A 81 3.121 4.069 -2.917 1.00 72.34 C ATOM 1248 CD2 LEU A 81 5.006 2.465 -3.189 1.00 1.10 C ATOM 0 H LEU A 81 4.523 2.772 0.490 1.00 62.21 H new ATOM 0 HA LEU A 81 6.862 2.986 -1.167 1.00 24.02 H new ATOM 0 HB2 LEU A 81 4.459 4.803 -0.731 1.00 65.32 H new ATOM 0 HB3 LEU A 81 5.582 4.888 -2.074 1.00 65.32 H new ATOM 0 HG LEU A 81 3.705 2.577 -1.510 1.00 53.13 H new ATOM 0 HD11 LEU A 81 2.487 3.393 -3.491 1.00 72.34 H new ATOM 0 HD12 LEU A 81 2.513 4.604 -2.187 1.00 72.34 H new ATOM 0 HD13 LEU A 81 3.593 4.784 -3.591 1.00 72.34 H new ATOM 0 HD21 LEU A 81 4.345 1.810 -3.756 1.00 1.10 H new ATOM 0 HD22 LEU A 81 5.520 3.141 -3.872 1.00 1.10 H new ATOM 0 HD23 LEU A 81 5.740 1.864 -2.653 1.00 1.10 H new ATOM 1260 N ILE A 82 8.148 4.660 0.107 1.00 2.25 N ATOM 1261 CA ILE A 82 8.906 5.636 0.819 1.00 63.32 C ATOM 1262 C ILE A 82 8.964 6.892 0.007 1.00 65.11 C ATOM 1263 O ILE A 82 9.602 6.934 -1.045 1.00 30.11 O ATOM 1264 CB ILE A 82 10.333 5.163 1.094 1.00 5.23 C ATOM 1265 CG1 ILE A 82 10.334 3.812 1.818 1.00 71.41 C ATOM 1266 CG2 ILE A 82 11.061 6.203 1.916 1.00 1.42 C ATOM 1267 CD1 ILE A 82 9.685 3.812 3.182 1.00 74.13 C ATOM 0 H ILE A 82 8.693 4.059 -0.511 1.00 2.25 H new ATOM 0 HA ILE A 82 8.416 5.808 1.777 1.00 63.32 H new ATOM 0 HB ILE A 82 10.847 5.031 0.142 1.00 5.23 H new ATOM 0 HG12 ILE A 82 9.823 3.081 1.191 1.00 71.41 H new ATOM 0 HG13 ILE A 82 11.365 3.476 1.924 1.00 71.41 H new ATOM 0 HG21 ILE A 82 12.079 5.865 2.112 1.00 1.42 H new ATOM 0 HG22 ILE A 82 11.091 7.145 1.368 1.00 1.42 H new ATOM 0 HG23 ILE A 82 10.539 6.350 2.862 1.00 1.42 H new ATOM 0 HD11 ILE A 82 9.737 2.811 3.610 1.00 74.13 H new ATOM 0 HD12 ILE A 82 10.207 4.513 3.833 1.00 74.13 H new ATOM 0 HD13 ILE A 82 8.641 4.112 3.088 1.00 74.13 H new ATOM 1279 N THR A 83 8.303 7.890 0.469 1.00 72.02 N ATOM 1280 CA THR A 83 8.283 9.131 -0.210 1.00 34.04 C ATOM 1281 C THR A 83 9.447 10.016 0.236 1.00 74.22 C ATOM 1282 O THR A 83 10.168 10.554 -0.590 1.00 41.25 O ATOM 1283 CB THR A 83 6.940 9.829 -0.009 1.00 71.24 C ATOM 1284 OG1 THR A 83 6.653 9.924 1.395 1.00 64.25 O ATOM 1285 CG2 THR A 83 5.826 9.058 -0.707 1.00 21.40 C ATOM 0 H THR A 83 7.759 7.868 1.332 1.00 72.02 H new ATOM 0 HA THR A 83 8.406 8.943 -1.277 1.00 34.04 H new ATOM 0 HB THR A 83 6.997 10.828 -0.441 1.00 71.24 H new ATOM 0 HG1 THR A 83 5.792 10.374 1.523 1.00 64.25 H new ATOM 0 HG21 THR A 83 4.877 9.571 -0.553 1.00 21.40 H new ATOM 0 HG22 THR A 83 6.037 9.000 -1.775 1.00 21.40 H new ATOM 0 HG23 THR A 83 5.766 8.051 -0.294 1.00 21.40 H new ATOM 1293 N LYS A 84 9.633 10.148 1.543 1.00 13.41 N ATOM 1294 CA LYS A 84 10.727 10.927 2.092 1.00 61.22 C ATOM 1295 C LYS A 84 11.293 10.264 3.333 1.00 15.12 C ATOM 1296 O LYS A 84 10.809 9.232 3.770 1.00 41.40 O ATOM 1297 CB LYS A 84 10.315 12.390 2.375 1.00 73.33 C ATOM 1298 CG LYS A 84 10.081 13.294 1.137 1.00 52.23 C ATOM 1299 CD LYS A 84 11.384 13.832 0.466 1.00 14.13 C ATOM 1300 CE LYS A 84 12.328 12.740 -0.028 1.00 33.43 C ATOM 1301 NZ LYS A 84 13.513 13.267 -0.752 1.00 63.03 N ATOM 0 H LYS A 84 9.031 9.719 2.246 1.00 13.41 H new ATOM 0 HA LYS A 84 11.512 10.961 1.337 1.00 61.22 H new ATOM 0 HB2 LYS A 84 9.400 12.378 2.967 1.00 73.33 H new ATOM 0 HB3 LYS A 84 11.088 12.849 2.992 1.00 73.33 H new ATOM 0 HG2 LYS A 84 9.512 12.732 0.396 1.00 52.23 H new ATOM 0 HG3 LYS A 84 9.465 14.142 1.435 1.00 52.23 H new ATOM 0 HD2 LYS A 84 11.110 14.468 -0.376 1.00 14.13 H new ATOM 0 HD3 LYS A 84 11.915 14.460 1.181 1.00 14.13 H new ATOM 0 HE2 LYS A 84 12.665 12.149 0.824 1.00 33.43 H new ATOM 0 HE3 LYS A 84 11.779 12.066 -0.686 1.00 33.43 H new ATOM 0 HZ1 LYS A 84 13.627 12.755 -1.650 1.00 63.03 H new ATOM 0 HZ2 LYS A 84 13.379 14.280 -0.946 1.00 63.03 H new ATOM 0 HZ3 LYS A 84 14.363 13.136 -0.168 1.00 63.03 H new ATOM 1315 N LYS A 85 12.319 10.855 3.886 1.00 75.24 N ATOM 1316 CA LYS A 85 13.007 10.294 5.027 1.00 53.45 C ATOM 1317 C LYS A 85 12.228 10.408 6.360 1.00 64.24 C ATOM 1318 O LYS A 85 11.938 9.406 7.001 1.00 53.20 O ATOM 1319 CB LYS A 85 14.413 10.886 5.150 1.00 54.34 C ATOM 1320 CG LYS A 85 15.157 10.450 6.387 1.00 4.10 C ATOM 1321 CD LYS A 85 16.566 10.973 6.406 1.00 43.55 C ATOM 1322 CE LYS A 85 17.277 10.548 7.670 1.00 43.40 C ATOM 1323 NZ LYS A 85 17.416 9.067 7.780 1.00 43.30 N ATOM 0 H LYS A 85 12.705 11.741 3.560 1.00 75.24 H new ATOM 0 HA LYS A 85 13.083 9.224 4.835 1.00 53.45 H new ATOM 0 HB2 LYS A 85 14.993 10.603 4.271 1.00 54.34 H new ATOM 0 HB3 LYS A 85 14.340 11.974 5.147 1.00 54.34 H new ATOM 0 HG2 LYS A 85 14.627 10.802 7.272 1.00 4.10 H new ATOM 0 HG3 LYS A 85 15.173 9.361 6.436 1.00 4.10 H new ATOM 0 HD2 LYS A 85 17.108 10.603 5.536 1.00 43.55 H new ATOM 0 HD3 LYS A 85 16.556 12.061 6.337 1.00 43.55 H new ATOM 0 HE2 LYS A 85 18.266 11.005 7.697 1.00 43.40 H new ATOM 0 HE3 LYS A 85 16.729 10.923 8.534 1.00 43.40 H new ATOM 0 HZ1 LYS A 85 17.969 8.832 8.629 1.00 43.30 H new ATOM 0 HZ2 LYS A 85 16.473 8.634 7.850 1.00 43.30 H new ATOM 0 HZ3 LYS A 85 17.903 8.701 6.937 1.00 43.30 H new ATOM 1337 N ARG A 86 11.901 11.618 6.751 1.00 63.45 N ATOM 1338 CA ARG A 86 11.237 11.896 8.041 1.00 32.41 C ATOM 1339 C ARG A 86 9.738 11.978 7.871 1.00 71.43 C ATOM 1340 O ARG A 86 9.263 12.226 6.777 1.00 34.51 O ATOM 1341 CB ARG A 86 11.721 13.246 8.551 1.00 35.02 C ATOM 1342 CG ARG A 86 13.158 13.300 8.994 1.00 70.21 C ATOM 1343 CD ARG A 86 13.321 12.676 10.335 1.00 32.11 C ATOM 1344 NE ARG A 86 14.714 12.699 10.788 1.00 61.41 N ATOM 1345 CZ ARG A 86 15.127 12.329 12.009 1.00 22.31 C ATOM 1346 NH1 ARG A 86 14.241 11.945 12.933 1.00 10.11 N ATOM 1347 NH2 ARG A 86 16.418 12.365 12.308 1.00 61.24 N ATOM 0 H ARG A 86 12.081 12.453 6.194 1.00 63.45 H new ATOM 0 HA ARG A 86 11.477 11.092 8.736 1.00 32.41 H new ATOM 0 HB2 ARG A 86 11.575 13.985 7.763 1.00 35.02 H new ATOM 0 HB3 ARG A 86 11.090 13.544 9.389 1.00 35.02 H new ATOM 0 HG2 ARG A 86 13.787 12.783 8.269 1.00 70.21 H new ATOM 0 HG3 ARG A 86 13.495 14.336 9.027 1.00 70.21 H new ATOM 0 HD2 ARG A 86 12.697 13.202 11.057 1.00 32.11 H new ATOM 0 HD3 ARG A 86 12.969 11.645 10.300 1.00 32.11 H new ATOM 0 HE ARG A 86 15.421 13.020 10.127 1.00 61.41 H new ATOM 0 HH11 ARG A 86 13.246 11.932 12.711 1.00 10.11 H new ATOM 0 HH12 ARG A 86 14.560 11.664 13.860 1.00 10.11 H new ATOM 0 HH21 ARG A 86 17.095 12.674 11.610 1.00 61.24 H new ATOM 0 HH22 ARG A 86 16.735 12.084 13.236 1.00 61.24 H new ATOM 1361 N ALA A 87 8.987 11.792 8.970 1.00 4.55 N ATOM 1362 CA ALA A 87 7.521 11.973 8.940 1.00 55.24 C ATOM 1363 C ALA A 87 7.207 13.452 8.843 1.00 40.24 C ATOM 1364 O ALA A 87 6.088 13.859 8.538 1.00 2.43 O ATOM 1365 CB ALA A 87 6.887 11.410 10.187 1.00 70.12 C ATOM 0 H ALA A 87 9.362 11.520 9.879 1.00 4.55 H new ATOM 0 HA ALA A 87 7.119 11.443 8.076 1.00 55.24 H new ATOM 0 HB1 ALA A 87 5.807 11.554 10.143 1.00 70.12 H new ATOM 0 HB2 ALA A 87 7.108 10.345 10.259 1.00 70.12 H new ATOM 0 HB3 ALA A 87 7.286 11.923 11.062 1.00 70.12 H new ATOM 1371 N SER A 88 8.218 14.235 9.138 1.00 50.42 N ATOM 1372 CA SER A 88 8.167 15.658 9.079 1.00 72.42 C ATOM 1373 C SER A 88 8.509 16.137 7.654 1.00 11.13 C ATOM 1374 O SER A 88 8.536 17.329 7.375 1.00 13.20 O ATOM 1375 CB SER A 88 9.190 16.189 10.067 1.00 13.23 C ATOM 1376 OG SER A 88 9.018 15.550 11.329 1.00 43.04 O ATOM 0 H SER A 88 9.125 13.876 9.435 1.00 50.42 H new ATOM 0 HA SER A 88 7.169 16.020 9.328 1.00 72.42 H new ATOM 0 HB2 SER A 88 10.198 16.010 9.693 1.00 13.23 H new ATOM 0 HB3 SER A 88 9.078 17.268 10.177 1.00 13.23 H new ATOM 0 HG SER A 88 9.681 15.894 11.963 1.00 43.04 H new ATOM 1382 N HIS A 89 8.788 15.195 6.761 1.00 25.35 N ATOM 1383 CA HIS A 89 9.093 15.526 5.396 1.00 22.34 C ATOM 1384 C HIS A 89 7.902 15.248 4.556 1.00 42.52 C ATOM 1385 O HIS A 89 7.233 14.236 4.724 1.00 55.40 O ATOM 1386 CB HIS A 89 10.291 14.742 4.837 1.00 11.35 C ATOM 1387 CG HIS A 89 11.616 15.032 5.484 1.00 62.42 C ATOM 1388 ND1 HIS A 89 12.797 14.422 5.101 1.00 4.23 N ATOM 1389 CD2 HIS A 89 11.936 15.839 6.508 1.00 23.01 C ATOM 1390 CE1 HIS A 89 13.780 14.840 5.879 1.00 43.32 C ATOM 1391 NE2 HIS A 89 13.285 15.705 6.734 1.00 34.33 N ATOM 0 H HIS A 89 8.806 14.197 6.969 1.00 25.35 H new ATOM 0 HA HIS A 89 9.361 16.582 5.373 1.00 22.34 H new ATOM 0 HB2 HIS A 89 10.084 13.677 4.937 1.00 11.35 H new ATOM 0 HB3 HIS A 89 10.374 14.952 3.771 1.00 11.35 H new ATOM 0 HD2 HIS A 89 11.257 16.477 7.054 1.00 23.01 H new ATOM 0 HE1 HIS A 89 14.811 14.525 5.822 1.00 43.32 H new ATOM 0 HE2 HIS A 89 13.817 16.198 7.451 1.00 34.33 H new ATOM 1400 N LYS A 90 7.648 16.125 3.674 1.00 74.45 N ATOM 1401 CA LYS A 90 6.517 15.998 2.781 1.00 23.05 C ATOM 1402 C LYS A 90 6.934 15.305 1.501 1.00 52.44 C ATOM 1403 O LYS A 90 7.973 15.651 0.920 1.00 55.11 O ATOM 1404 CB LYS A 90 5.831 17.353 2.476 1.00 23.54 C ATOM 1405 CG LYS A 90 5.069 18.002 3.651 1.00 1.22 C ATOM 1406 CD LYS A 90 5.967 18.398 4.824 1.00 61.21 C ATOM 1407 CE LYS A 90 6.996 19.442 4.423 1.00 60.21 C ATOM 1408 NZ LYS A 90 6.362 20.679 3.920 1.00 74.14 N ATOM 0 H LYS A 90 8.207 16.966 3.530 1.00 74.45 H new ATOM 0 HA LYS A 90 5.774 15.388 3.295 1.00 23.05 H new ATOM 0 HB2 LYS A 90 6.591 18.053 2.130 1.00 23.54 H new ATOM 0 HB3 LYS A 90 5.133 17.207 1.652 1.00 23.54 H new ATOM 0 HG2 LYS A 90 4.548 18.888 3.289 1.00 1.22 H new ATOM 0 HG3 LYS A 90 4.308 17.307 4.006 1.00 1.22 H new ATOM 0 HD2 LYS A 90 5.353 18.787 5.636 1.00 61.21 H new ATOM 0 HD3 LYS A 90 6.477 17.513 5.205 1.00 61.21 H new ATOM 0 HE2 LYS A 90 7.625 19.680 5.281 1.00 60.21 H new ATOM 0 HE3 LYS A 90 7.649 19.031 3.654 1.00 60.21 H new ATOM 0 HZ1 LYS A 90 7.076 21.432 3.850 1.00 74.14 H new ATOM 0 HZ2 LYS A 90 5.952 20.502 2.981 1.00 74.14 H new ATOM 0 HZ3 LYS A 90 5.610 20.975 4.575 1.00 74.14 H new ATOM 1422 N PRO A 91 6.128 14.318 1.051 1.00 13.00 N ATOM 1423 CA PRO A 91 6.406 13.514 -0.149 1.00 71.33 C ATOM 1424 C PRO A 91 6.686 14.363 -1.377 1.00 12.44 C ATOM 1425 O PRO A 91 6.134 15.454 -1.527 1.00 12.21 O ATOM 1426 CB PRO A 91 5.098 12.716 -0.359 1.00 31.05 C ATOM 1427 CG PRO A 91 4.094 13.362 0.530 1.00 2.02 C ATOM 1428 CD PRO A 91 4.865 13.911 1.681 1.00 5.15 C ATOM 0 HA PRO A 91 7.295 12.898 -0.015 1.00 71.33 H new ATOM 0 HB2 PRO A 91 4.780 12.750 -1.401 1.00 31.05 H new ATOM 0 HB3 PRO A 91 5.233 11.666 -0.101 1.00 31.05 H new ATOM 0 HG2 PRO A 91 3.558 14.153 0.005 1.00 2.02 H new ATOM 0 HG3 PRO A 91 3.349 12.641 0.867 1.00 2.02 H new ATOM 0 HD2 PRO A 91 4.354 14.753 2.147 1.00 5.15 H new ATOM 0 HD3 PRO A 91 5.022 13.163 2.458 1.00 5.15 H new ATOM 1436 N THR A 92 7.550 13.889 -2.238 1.00 74.15 N ATOM 1437 CA THR A 92 7.853 14.581 -3.416 1.00 23.11 C ATOM 1438 C THR A 92 7.355 13.808 -4.593 1.00 72.51 C ATOM 1439 O THR A 92 7.244 12.588 -4.524 1.00 42.04 O ATOM 1440 CB THR A 92 9.358 14.814 -3.497 1.00 32.34 C ATOM 1441 OG1 THR A 92 10.041 13.649 -3.038 1.00 21.23 O ATOM 1442 CG2 THR A 92 9.763 16.025 -2.689 1.00 65.42 C ATOM 0 H THR A 92 8.052 13.009 -2.121 1.00 74.15 H new ATOM 0 HA THR A 92 7.359 15.553 -3.417 1.00 23.11 H new ATOM 0 HB THR A 92 9.632 15.006 -4.534 1.00 32.34 H new ATOM 0 HG1 THR A 92 10.996 13.847 -2.939 1.00 21.23 H new ATOM 0 HG21 THR A 92 10.841 16.168 -2.764 1.00 65.42 H new ATOM 0 HG22 THR A 92 9.252 16.907 -3.074 1.00 65.42 H new ATOM 0 HG23 THR A 92 9.489 15.874 -1.645 1.00 65.42 H new ATOM 1450 N TYR A 93 7.075 14.494 -5.664 1.00 32.41 N ATOM 1451 CA TYR A 93 6.562 13.872 -6.860 1.00 54.24 C ATOM 1452 C TYR A 93 7.582 12.959 -7.488 1.00 2.34 C ATOM 1453 O TYR A 93 7.264 11.845 -7.877 1.00 33.44 O ATOM 1454 CB TYR A 93 6.084 14.923 -7.850 1.00 1.40 C ATOM 1455 CG TYR A 93 4.797 15.584 -7.440 1.00 24.11 C ATOM 1456 CD1 TYR A 93 4.759 16.648 -6.542 1.00 3.35 C ATOM 1457 CD2 TYR A 93 3.609 15.134 -7.958 1.00 64.10 C ATOM 1458 CE1 TYR A 93 3.549 17.231 -6.196 1.00 43.11 C ATOM 1459 CE2 TYR A 93 2.426 15.699 -7.617 1.00 75.50 C ATOM 1460 CZ TYR A 93 2.389 16.740 -6.744 1.00 34.21 C ATOM 1461 OH TYR A 93 1.178 17.316 -6.429 1.00 1.01 O ATOM 0 H TYR A 93 7.195 15.504 -5.737 1.00 32.41 H new ATOM 0 HA TYR A 93 5.707 13.258 -6.576 1.00 54.24 H new ATOM 0 HB2 TYR A 93 6.856 15.684 -7.962 1.00 1.40 H new ATOM 0 HB3 TYR A 93 5.951 14.458 -8.827 1.00 1.40 H new ATOM 0 HD1 TYR A 93 5.677 17.021 -6.113 1.00 3.35 H new ATOM 0 HD2 TYR A 93 3.617 14.309 -8.655 1.00 64.10 H new ATOM 0 HE1 TYR A 93 3.519 18.060 -5.505 1.00 43.11 H new ATOM 0 HE2 TYR A 93 1.508 15.320 -8.041 1.00 75.50 H new ATOM 0 HH TYR A 93 1.309 18.268 -6.234 1.00 1.01 H new ATOM 1471 N GLU A 94 8.811 13.425 -7.543 1.00 34.23 N ATOM 1472 CA GLU A 94 9.923 12.662 -8.113 1.00 51.12 C ATOM 1473 C GLU A 94 10.083 11.344 -7.373 1.00 41.22 C ATOM 1474 O GLU A 94 10.229 10.281 -7.977 1.00 1.02 O ATOM 1475 CB GLU A 94 11.204 13.463 -7.959 1.00 45.42 C ATOM 1476 CG GLU A 94 11.154 14.831 -8.590 1.00 55.43 C ATOM 1477 CD GLU A 94 12.362 15.648 -8.252 1.00 40.14 C ATOM 1478 OE1 GLU A 94 12.374 16.292 -7.182 1.00 64.41 O ATOM 1479 OE2 GLU A 94 13.313 15.681 -9.040 1.00 61.11 O ATOM 0 H GLU A 94 9.078 14.346 -7.195 1.00 34.23 H new ATOM 0 HA GLU A 94 9.719 12.467 -9.166 1.00 51.12 H new ATOM 0 HB2 GLU A 94 11.426 13.572 -6.897 1.00 45.42 H new ATOM 0 HB3 GLU A 94 12.027 12.901 -8.401 1.00 45.42 H new ATOM 0 HG2 GLU A 94 11.077 14.729 -9.672 1.00 55.43 H new ATOM 0 HG3 GLU A 94 10.258 15.353 -8.254 1.00 55.43 H new ATOM 1486 N ASN A 95 10.015 11.430 -6.061 1.00 64.30 N ATOM 1487 CA ASN A 95 10.207 10.278 -5.206 1.00 50.31 C ATOM 1488 C ASN A 95 9.007 9.376 -5.247 1.00 34.30 C ATOM 1489 O ASN A 95 9.143 8.150 -5.265 1.00 42.40 O ATOM 1490 CB ASN A 95 10.527 10.689 -3.769 1.00 23.03 C ATOM 1491 CG ASN A 95 11.888 11.349 -3.586 1.00 52.14 C ATOM 1492 OD1 ASN A 95 12.528 11.182 -2.575 1.00 53.45 O ATOM 1493 ND2 ASN A 95 12.303 12.138 -4.529 1.00 33.05 N ATOM 0 H ASN A 95 9.826 12.297 -5.559 1.00 64.30 H new ATOM 0 HA ASN A 95 11.066 9.726 -5.589 1.00 50.31 H new ATOM 0 HB2 ASN A 95 9.755 11.376 -3.421 1.00 23.03 H new ATOM 0 HB3 ASN A 95 10.478 9.805 -3.133 1.00 23.03 H new ATOM 0 HD21 ASN A 95 13.188 12.634 -4.426 1.00 33.05 H new ATOM 0 HD22 ASN A 95 11.744 12.262 -5.373 1.00 33.05 H new ATOM 1500 N LEU A 96 7.824 9.982 -5.257 1.00 12.30 N ATOM 1501 CA LEU A 96 6.586 9.236 -5.383 1.00 14.12 C ATOM 1502 C LEU A 96 6.611 8.356 -6.651 1.00 51.32 C ATOM 1503 O LEU A 96 6.261 7.179 -6.587 1.00 34.14 O ATOM 1504 CB LEU A 96 5.384 10.187 -5.400 1.00 65.13 C ATOM 1505 CG LEU A 96 3.993 9.545 -5.415 1.00 31.13 C ATOM 1506 CD1 LEU A 96 3.768 8.709 -4.161 1.00 40.55 C ATOM 1507 CD2 LEU A 96 2.930 10.618 -5.535 1.00 44.13 C ATOM 0 H LEU A 96 7.701 10.992 -5.179 1.00 12.30 H new ATOM 0 HA LEU A 96 6.487 8.581 -4.518 1.00 14.12 H new ATOM 0 HB2 LEU A 96 5.450 10.833 -4.525 1.00 65.13 H new ATOM 0 HB3 LEU A 96 5.471 10.828 -6.277 1.00 65.13 H new ATOM 0 HG LEU A 96 3.926 8.882 -6.278 1.00 31.13 H new ATOM 0 HD11 LEU A 96 2.774 8.263 -4.194 1.00 40.55 H new ATOM 0 HD12 LEU A 96 4.518 7.920 -4.111 1.00 40.55 H new ATOM 0 HD13 LEU A 96 3.851 9.345 -3.280 1.00 40.55 H new ATOM 0 HD21 LEU A 96 1.944 10.154 -5.545 1.00 44.13 H new ATOM 0 HD22 LEU A 96 3.002 11.298 -4.686 1.00 44.13 H new ATOM 0 HD23 LEU A 96 3.078 11.175 -6.460 1.00 44.13 H new ATOM 1519 N GLN A 97 7.072 8.918 -7.786 1.00 14.22 N ATOM 1520 CA GLN A 97 7.184 8.154 -9.035 1.00 65.02 C ATOM 1521 C GLN A 97 8.001 6.911 -8.806 1.00 53.24 C ATOM 1522 O GLN A 97 7.577 5.804 -9.131 1.00 44.23 O ATOM 1523 CB GLN A 97 7.882 8.980 -10.111 1.00 1.10 C ATOM 1524 CG GLN A 97 7.168 10.233 -10.515 1.00 11.23 C ATOM 1525 CD GLN A 97 7.932 11.030 -11.550 1.00 20.04 C ATOM 1526 OE1 GLN A 97 8.733 11.898 -11.216 1.00 60.32 O ATOM 1527 NE2 GLN A 97 7.704 10.740 -12.807 1.00 42.32 N ATOM 0 H GLN A 97 7.370 9.891 -7.859 1.00 14.22 H new ATOM 0 HA GLN A 97 6.176 7.897 -9.359 1.00 65.02 H new ATOM 0 HB2 GLN A 97 8.877 9.247 -9.754 1.00 1.10 H new ATOM 0 HB3 GLN A 97 8.017 8.357 -10.995 1.00 1.10 H new ATOM 0 HG2 GLN A 97 6.186 9.975 -10.912 1.00 11.23 H new ATOM 0 HG3 GLN A 97 7.003 10.853 -9.634 1.00 11.23 H new ATOM 0 HE21 GLN A 97 7.031 10.012 -13.049 1.00 42.32 H new ATOM 0 HE22 GLN A 97 8.199 11.242 -13.544 1.00 42.32 H new ATOM 1536 N LYS A 98 9.153 7.108 -8.203 1.00 53.45 N ATOM 1537 CA LYS A 98 10.096 6.039 -7.955 1.00 31.15 C ATOM 1538 C LYS A 98 9.509 4.933 -7.072 1.00 50.42 C ATOM 1539 O LYS A 98 9.763 3.750 -7.309 1.00 74.20 O ATOM 1540 CB LYS A 98 11.387 6.579 -7.362 1.00 43.11 C ATOM 1541 CG LYS A 98 12.069 7.623 -8.226 1.00 52.44 C ATOM 1542 CD LYS A 98 12.334 7.130 -9.645 1.00 25.11 C ATOM 1543 CE LYS A 98 12.996 8.216 -10.476 1.00 43.11 C ATOM 1544 NZ LYS A 98 13.189 7.810 -11.885 1.00 73.44 N ATOM 0 H LYS A 98 9.464 8.020 -7.869 1.00 53.45 H new ATOM 0 HA LYS A 98 10.321 5.587 -8.921 1.00 31.15 H new ATOM 0 HB2 LYS A 98 11.173 7.013 -6.385 1.00 43.11 H new ATOM 0 HB3 LYS A 98 12.076 5.750 -7.199 1.00 43.11 H new ATOM 0 HG2 LYS A 98 11.448 8.518 -8.267 1.00 52.44 H new ATOM 0 HG3 LYS A 98 13.013 7.911 -7.764 1.00 52.44 H new ATOM 0 HD2 LYS A 98 12.973 6.248 -9.615 1.00 25.11 H new ATOM 0 HD3 LYS A 98 11.396 6.829 -10.112 1.00 25.11 H new ATOM 0 HE2 LYS A 98 12.386 9.119 -10.441 1.00 43.11 H new ATOM 0 HE3 LYS A 98 13.962 8.467 -10.038 1.00 43.11 H new ATOM 0 HZ1 LYS A 98 13.644 8.584 -12.410 1.00 73.44 H new ATOM 0 HZ2 LYS A 98 13.793 6.964 -11.923 1.00 73.44 H new ATOM 0 HZ3 LYS A 98 12.266 7.596 -12.314 1.00 73.44 H new ATOM 1558 N SER A 99 8.717 5.315 -6.071 1.00 32.42 N ATOM 1559 CA SER A 99 8.084 4.340 -5.201 1.00 3.40 C ATOM 1560 C SER A 99 7.048 3.487 -5.965 1.00 70.54 C ATOM 1561 O SER A 99 7.008 2.274 -5.806 1.00 61.23 O ATOM 1562 CB SER A 99 7.513 5.012 -3.933 1.00 23.33 C ATOM 1563 OG SER A 99 6.559 6.017 -4.224 1.00 2.54 O ATOM 0 H SER A 99 8.503 6.287 -5.848 1.00 32.42 H new ATOM 0 HA SER A 99 8.846 3.641 -4.857 1.00 3.40 H new ATOM 0 HB2 SER A 99 7.052 4.252 -3.302 1.00 23.33 H new ATOM 0 HB3 SER A 99 8.331 5.449 -3.360 1.00 23.33 H new ATOM 0 HG SER A 99 6.707 6.356 -5.132 1.00 2.54 H new ATOM 1569 N LEU A 100 6.249 4.125 -6.829 1.00 74.45 N ATOM 1570 CA LEU A 100 5.273 3.420 -7.684 1.00 21.24 C ATOM 1571 C LEU A 100 6.005 2.501 -8.674 1.00 23.34 C ATOM 1572 O LEU A 100 5.572 1.375 -8.917 1.00 64.41 O ATOM 1573 CB LEU A 100 4.394 4.452 -8.440 1.00 45.13 C ATOM 1574 CG LEU A 100 3.242 5.165 -7.681 1.00 4.45 C ATOM 1575 CD1 LEU A 100 2.064 4.237 -7.519 1.00 61.33 C ATOM 1576 CD2 LEU A 100 3.666 5.658 -6.312 1.00 43.41 C ATOM 0 H LEU A 100 6.256 5.137 -6.958 1.00 74.45 H new ATOM 0 HA LEU A 100 4.627 2.804 -7.059 1.00 21.24 H new ATOM 0 HB2 LEU A 100 5.057 5.224 -8.831 1.00 45.13 H new ATOM 0 HB3 LEU A 100 3.956 3.943 -9.299 1.00 45.13 H new ATOM 0 HG LEU A 100 2.964 6.030 -8.284 1.00 4.45 H new ATOM 0 HD11 LEU A 100 1.266 4.752 -6.985 1.00 61.33 H new ATOM 0 HD12 LEU A 100 1.705 3.930 -8.501 1.00 61.33 H new ATOM 0 HD13 LEU A 100 2.369 3.357 -6.953 1.00 61.33 H new ATOM 0 HD21 LEU A 100 2.823 6.148 -5.825 1.00 43.41 H new ATOM 0 HD22 LEU A 100 3.994 4.813 -5.706 1.00 43.41 H new ATOM 0 HD23 LEU A 100 4.486 6.368 -6.419 1.00 43.41 H new ATOM 1588 N GLU A 101 7.113 2.991 -9.232 1.00 11.54 N ATOM 1589 CA GLU A 101 7.972 2.199 -10.134 1.00 2.01 C ATOM 1590 C GLU A 101 8.470 0.952 -9.424 1.00 12.12 C ATOM 1591 O GLU A 101 8.365 -0.168 -9.941 1.00 22.13 O ATOM 1592 CB GLU A 101 9.183 3.019 -10.540 1.00 75.14 C ATOM 1593 CG GLU A 101 8.911 4.195 -11.436 1.00 0.51 C ATOM 1594 CD GLU A 101 8.616 3.793 -12.855 1.00 62.12 C ATOM 1595 OE1 GLU A 101 9.515 3.222 -13.515 1.00 10.02 O ATOM 1596 OE2 GLU A 101 7.528 4.083 -13.353 1.00 60.20 O ATOM 0 H GLU A 101 7.445 3.943 -9.077 1.00 11.54 H new ATOM 0 HA GLU A 101 7.385 1.923 -11.010 1.00 2.01 H new ATOM 0 HB2 GLU A 101 9.671 3.382 -9.636 1.00 75.14 H new ATOM 0 HB3 GLU A 101 9.891 2.360 -11.043 1.00 75.14 H new ATOM 0 HG2 GLU A 101 8.066 4.759 -11.040 1.00 0.51 H new ATOM 0 HG3 GLU A 101 9.773 4.862 -11.424 1.00 0.51 H new ATOM 1603 N ALA A 102 9.024 1.158 -8.255 1.00 73.14 N ATOM 1604 CA ALA A 102 9.532 0.074 -7.429 1.00 10.02 C ATOM 1605 C ALA A 102 8.415 -0.901 -7.082 1.00 34.32 C ATOM 1606 O ALA A 102 8.575 -2.126 -7.169 1.00 21.23 O ATOM 1607 CB ALA A 102 10.151 0.630 -6.157 1.00 3.21 C ATOM 0 H ALA A 102 9.139 2.083 -7.842 1.00 73.14 H new ATOM 0 HA ALA A 102 10.298 -0.460 -7.992 1.00 10.02 H new ATOM 0 HB1 ALA A 102 10.528 -0.191 -5.547 1.00 3.21 H new ATOM 0 HB2 ALA A 102 10.973 1.298 -6.414 1.00 3.21 H new ATOM 0 HB3 ALA A 102 9.397 1.182 -5.597 1.00 3.21 H new ATOM 1613 N MET A 103 7.278 -0.345 -6.716 1.00 51.31 N ATOM 1614 CA MET A 103 6.129 -1.109 -6.343 1.00 40.25 C ATOM 1615 C MET A 103 5.592 -1.966 -7.487 1.00 11.41 C ATOM 1616 O MET A 103 5.321 -3.162 -7.283 1.00 54.31 O ATOM 1617 CB MET A 103 5.055 -0.211 -5.723 1.00 72.54 C ATOM 1618 CG MET A 103 3.757 -0.918 -5.468 1.00 64.34 C ATOM 1619 SD MET A 103 2.583 0.011 -4.471 1.00 0.03 S ATOM 1620 CE MET A 103 2.289 1.416 -5.518 1.00 4.35 C ATOM 0 H MET A 103 7.135 0.664 -6.672 1.00 51.31 H new ATOM 0 HA MET A 103 6.444 -1.817 -5.577 1.00 40.25 H new ATOM 0 HB2 MET A 103 5.430 0.194 -4.783 1.00 72.54 H new ATOM 0 HB3 MET A 103 4.874 0.636 -6.385 1.00 72.54 H new ATOM 0 HG2 MET A 103 3.293 -1.155 -6.425 1.00 64.34 H new ATOM 0 HG3 MET A 103 3.966 -1.866 -4.971 1.00 64.34 H new ATOM 0 HE1 MET A 103 1.501 2.033 -5.086 1.00 4.35 H new ATOM 0 HE2 MET A 103 3.203 2.003 -5.604 1.00 4.35 H new ATOM 0 HE3 MET A 103 1.982 1.075 -6.507 1.00 4.35 H new ATOM 1630 N LYS A 104 5.460 -1.387 -8.692 1.00 43.12 N ATOM 1631 CA LYS A 104 4.975 -2.146 -9.816 1.00 63.43 C ATOM 1632 C LYS A 104 5.919 -3.289 -10.149 1.00 24.45 C ATOM 1633 O LYS A 104 5.484 -4.381 -10.486 1.00 43.20 O ATOM 1634 CB LYS A 104 4.740 -1.286 -11.040 1.00 52.10 C ATOM 1635 CG LYS A 104 5.933 -0.707 -11.711 1.00 52.02 C ATOM 1636 CD LYS A 104 5.476 -0.115 -12.987 1.00 23.42 C ATOM 1637 CE LYS A 104 6.594 0.563 -13.751 1.00 54.01 C ATOM 1638 NZ LYS A 104 6.130 1.068 -15.058 1.00 21.23 N ATOM 0 H LYS A 104 5.682 -0.412 -8.894 1.00 43.12 H new ATOM 0 HA LYS A 104 4.010 -2.558 -9.519 1.00 63.43 H new ATOM 0 HB2 LYS A 104 4.199 -1.885 -11.773 1.00 52.10 H new ATOM 0 HB3 LYS A 104 4.084 -0.464 -10.753 1.00 52.10 H new ATOM 0 HG2 LYS A 104 6.398 0.051 -11.081 1.00 52.02 H new ATOM 0 HG3 LYS A 104 6.684 -1.476 -11.891 1.00 52.02 H new ATOM 0 HD2 LYS A 104 5.038 -0.896 -13.609 1.00 23.42 H new ATOM 0 HD3 LYS A 104 4.688 0.610 -12.785 1.00 23.42 H new ATOM 0 HE2 LYS A 104 6.990 1.389 -13.161 1.00 54.01 H new ATOM 0 HE3 LYS A 104 7.412 -0.142 -13.902 1.00 54.01 H new ATOM 0 HZ1 LYS A 104 6.912 1.556 -15.539 1.00 21.23 H new ATOM 0 HZ2 LYS A 104 5.807 0.271 -15.643 1.00 21.23 H new ATOM 0 HZ3 LYS A 104 5.344 1.733 -14.914 1.00 21.23 H new ATOM 1652 N SER A 105 7.218 -3.033 -9.986 1.00 31.43 N ATOM 1653 CA SER A 105 8.256 -4.003 -10.263 1.00 22.41 C ATOM 1654 C SER A 105 8.074 -5.239 -9.392 1.00 52.34 C ATOM 1655 O SER A 105 8.066 -6.367 -9.884 1.00 11.13 O ATOM 1656 CB SER A 105 9.635 -3.373 -10.016 1.00 11.21 C ATOM 1657 OG SER A 105 10.690 -4.272 -10.313 1.00 41.53 O ATOM 0 H SER A 105 7.573 -2.136 -9.655 1.00 31.43 H new ATOM 0 HA SER A 105 8.187 -4.307 -11.308 1.00 22.41 H new ATOM 0 HB2 SER A 105 9.739 -2.477 -10.628 1.00 11.21 H new ATOM 0 HB3 SER A 105 9.709 -3.059 -8.975 1.00 11.21 H new ATOM 0 HG SER A 105 11.550 -3.834 -10.145 1.00 41.53 H new ATOM 1663 N HIS A 106 7.891 -5.028 -8.100 1.00 23.20 N ATOM 1664 CA HIS A 106 7.736 -6.138 -7.185 1.00 63.10 C ATOM 1665 C HIS A 106 6.450 -6.896 -7.458 1.00 41.34 C ATOM 1666 O HIS A 106 6.390 -8.128 -7.297 1.00 61.33 O ATOM 1667 CB HIS A 106 7.781 -5.693 -5.738 1.00 44.32 C ATOM 1668 CG HIS A 106 7.751 -6.862 -4.820 1.00 31.21 C ATOM 1669 ND1 HIS A 106 6.760 -7.091 -3.909 1.00 72.12 N ATOM 1670 CD2 HIS A 106 8.604 -7.875 -4.706 1.00 31.52 C ATOM 1671 CE1 HIS A 106 7.008 -8.189 -3.260 1.00 74.22 C ATOM 1672 NE2 HIS A 106 8.131 -8.695 -3.716 1.00 15.43 N ATOM 0 H HIS A 106 7.847 -4.106 -7.667 1.00 23.20 H new ATOM 0 HA HIS A 106 8.581 -6.806 -7.355 1.00 63.10 H new ATOM 0 HB2 HIS A 106 8.685 -5.110 -5.561 1.00 44.32 H new ATOM 0 HB3 HIS A 106 6.934 -5.040 -5.528 1.00 44.32 H new ATOM 0 HD1 HIS A 106 5.948 -6.491 -3.761 1.00 72.12 H new ATOM 0 HD2 HIS A 106 9.503 -8.024 -5.286 1.00 31.52 H new ATOM 0 HE1 HIS A 106 6.395 -8.613 -2.479 1.00 74.22 H new ATOM 1681 N CYS A 107 5.434 -6.177 -7.856 1.00 15.21 N ATOM 1682 CA CYS A 107 4.174 -6.780 -8.177 1.00 52.43 C ATOM 1683 C CYS A 107 4.310 -7.700 -9.382 1.00 63.11 C ATOM 1684 O CYS A 107 3.651 -8.725 -9.455 1.00 75.12 O ATOM 1685 CB CYS A 107 3.110 -5.719 -8.394 1.00 55.13 C ATOM 1686 SG CYS A 107 2.812 -4.701 -6.936 1.00 23.53 S ATOM 0 H CYS A 107 5.459 -5.163 -7.965 1.00 15.21 H new ATOM 0 HA CYS A 107 3.856 -7.392 -7.333 1.00 52.43 H new ATOM 0 HB2 CYS A 107 3.410 -5.077 -9.222 1.00 55.13 H new ATOM 0 HB3 CYS A 107 2.178 -6.203 -8.688 1.00 55.13 H new ATOM 0 HG CYS A 107 3.831 -3.919 -6.737 1.00 23.53 H new ATOM 1692 N LEU A 108 5.184 -7.339 -10.303 1.00 15.42 N ATOM 1693 CA LEU A 108 5.455 -8.150 -11.472 1.00 61.22 C ATOM 1694 C LEU A 108 6.139 -9.442 -11.077 1.00 63.24 C ATOM 1695 O LEU A 108 5.779 -10.513 -11.557 1.00 44.54 O ATOM 1696 CB LEU A 108 6.352 -7.392 -12.440 1.00 33.03 C ATOM 1697 CG LEU A 108 5.810 -6.076 -12.965 1.00 70.53 C ATOM 1698 CD1 LEU A 108 6.809 -5.435 -13.901 1.00 41.45 C ATOM 1699 CD2 LEU A 108 4.476 -6.288 -13.645 1.00 12.42 C ATOM 0 H LEU A 108 5.725 -6.475 -10.260 1.00 15.42 H new ATOM 0 HA LEU A 108 4.504 -8.378 -11.953 1.00 61.22 H new ATOM 0 HB2 LEU A 108 7.303 -7.197 -11.945 1.00 33.03 H new ATOM 0 HB3 LEU A 108 6.562 -8.040 -13.291 1.00 33.03 H new ATOM 0 HG LEU A 108 5.652 -5.398 -12.126 1.00 70.53 H new ATOM 0 HD11 LEU A 108 6.408 -4.491 -14.271 1.00 41.45 H new ATOM 0 HD12 LEU A 108 7.741 -5.249 -13.367 1.00 41.45 H new ATOM 0 HD13 LEU A 108 7.000 -6.102 -14.742 1.00 41.45 H new ATOM 0 HD21 LEU A 108 4.101 -5.334 -14.016 1.00 12.42 H new ATOM 0 HD22 LEU A 108 4.599 -6.979 -14.479 1.00 12.42 H new ATOM 0 HD23 LEU A 108 3.766 -6.704 -12.931 1.00 12.42 H new ATOM 1711 N LYS A 109 7.094 -9.335 -10.156 1.00 71.01 N ATOM 1712 CA LYS A 109 7.912 -10.481 -9.720 1.00 42.04 C ATOM 1713 C LYS A 109 7.067 -11.552 -9.041 1.00 15.24 C ATOM 1714 O LYS A 109 7.429 -12.731 -8.997 1.00 50.03 O ATOM 1715 CB LYS A 109 8.986 -9.983 -8.762 1.00 54.20 C ATOM 1716 CG LYS A 109 9.810 -8.879 -9.366 1.00 13.31 C ATOM 1717 CD LYS A 109 10.911 -8.365 -8.441 1.00 53.45 C ATOM 1718 CE LYS A 109 11.935 -9.435 -8.112 1.00 13.45 C ATOM 1719 NZ LYS A 109 13.033 -8.903 -7.282 1.00 72.44 N ATOM 0 H LYS A 109 7.327 -8.459 -9.689 1.00 71.01 H new ATOM 0 HA LYS A 109 8.369 -10.935 -10.600 1.00 42.04 H new ATOM 0 HB2 LYS A 109 8.517 -9.626 -7.845 1.00 54.20 H new ATOM 0 HB3 LYS A 109 9.637 -10.812 -8.485 1.00 54.20 H new ATOM 0 HG2 LYS A 109 10.262 -9.238 -10.291 1.00 13.31 H new ATOM 0 HG3 LYS A 109 9.154 -8.050 -9.632 1.00 13.31 H new ATOM 0 HD2 LYS A 109 11.412 -7.519 -8.912 1.00 53.45 H new ATOM 0 HD3 LYS A 109 10.464 -7.997 -7.517 1.00 53.45 H new ATOM 0 HE2 LYS A 109 11.447 -10.256 -7.587 1.00 13.45 H new ATOM 0 HE3 LYS A 109 12.343 -9.845 -9.036 1.00 13.45 H new ATOM 0 HZ1 LYS A 109 13.713 -9.663 -7.077 1.00 72.44 H new ATOM 0 HZ2 LYS A 109 13.514 -8.136 -7.793 1.00 72.44 H new ATOM 0 HZ3 LYS A 109 12.646 -8.535 -6.389 1.00 72.44 H new ATOM 1733 N ASN A 110 5.957 -11.133 -8.525 1.00 11.43 N ATOM 1734 CA ASN A 110 5.073 -12.034 -7.780 1.00 74.44 C ATOM 1735 C ASN A 110 3.723 -12.237 -8.445 1.00 21.21 C ATOM 1736 O ASN A 110 2.899 -13.001 -7.941 1.00 43.32 O ATOM 1737 CB ASN A 110 4.891 -11.536 -6.348 1.00 42.41 C ATOM 1738 CG ASN A 110 6.184 -11.567 -5.569 1.00 32.05 C ATOM 1739 OD1 ASN A 110 6.490 -12.539 -4.881 1.00 12.35 O ATOM 1740 ND2 ASN A 110 6.959 -10.524 -5.693 1.00 5.44 N ATOM 0 H ASN A 110 5.621 -10.172 -8.595 1.00 11.43 H new ATOM 0 HA ASN A 110 5.562 -13.008 -7.770 1.00 74.44 H new ATOM 0 HB2 ASN A 110 4.503 -10.518 -6.365 1.00 42.41 H new ATOM 0 HB3 ASN A 110 4.148 -12.152 -5.842 1.00 42.41 H new ATOM 0 HD21 ASN A 110 7.856 -10.495 -5.209 1.00 5.44 H new ATOM 0 HD22 ASN A 110 6.667 -9.738 -6.274 1.00 5.44 H new ATOM 1747 N GLY A 111 3.502 -11.567 -9.575 1.00 13.22 N ATOM 1748 CA GLY A 111 2.219 -11.656 -10.269 1.00 20.04 C ATOM 1749 C GLY A 111 1.067 -11.249 -9.367 1.00 72.34 C ATOM 1750 O GLY A 111 0.084 -11.981 -9.220 1.00 44.24 O ATOM 0 H GLY A 111 4.188 -10.962 -10.026 1.00 13.22 H new ATOM 0 HA2 GLY A 111 2.236 -11.015 -11.150 1.00 20.04 H new ATOM 0 HA3 GLY A 111 2.064 -12.676 -10.620 1.00 20.04 H new ATOM 1754 N VAL A 112 1.196 -10.091 -8.765 1.00 63.11 N ATOM 1755 CA VAL A 112 0.221 -9.618 -7.808 1.00 23.13 C ATOM 1756 C VAL A 112 -1.069 -9.212 -8.489 1.00 63.41 C ATOM 1757 O VAL A 112 -2.126 -9.746 -8.190 1.00 14.31 O ATOM 1758 CB VAL A 112 0.789 -8.465 -6.931 1.00 24.24 C ATOM 1759 CG1 VAL A 112 -0.235 -7.989 -5.923 1.00 73.41 C ATOM 1760 CG2 VAL A 112 2.051 -8.922 -6.214 1.00 12.52 C ATOM 0 H VAL A 112 1.975 -9.452 -8.923 1.00 63.11 H new ATOM 0 HA VAL A 112 -0.007 -10.449 -7.140 1.00 23.13 H new ATOM 0 HB VAL A 112 1.033 -7.631 -7.589 1.00 24.24 H new ATOM 0 HG11 VAL A 112 0.191 -7.183 -5.325 1.00 73.41 H new ATOM 0 HG12 VAL A 112 -1.119 -7.624 -6.447 1.00 73.41 H new ATOM 0 HG13 VAL A 112 -0.515 -8.816 -5.271 1.00 73.41 H new ATOM 0 HG21 VAL A 112 2.438 -8.106 -5.604 1.00 12.52 H new ATOM 0 HG22 VAL A 112 1.818 -9.774 -5.575 1.00 12.52 H new ATOM 0 HG23 VAL A 112 2.802 -9.214 -6.949 1.00 12.52 H new ATOM 1770 N THR A 113 -0.954 -8.292 -9.406 1.00 50.11 N ATOM 1771 CA THR A 113 -2.069 -7.726 -10.225 1.00 1.54 C ATOM 1772 C THR A 113 -3.229 -7.065 -9.421 1.00 31.03 C ATOM 1773 O THR A 113 -4.123 -6.464 -10.011 1.00 3.33 O ATOM 1774 CB THR A 113 -2.634 -8.735 -11.286 1.00 25.14 C ATOM 1775 OG1 THR A 113 -3.053 -9.960 -10.666 1.00 41.03 O ATOM 1776 CG2 THR A 113 -1.595 -9.046 -12.349 1.00 21.45 C ATOM 0 H THR A 113 -0.052 -7.876 -9.638 1.00 50.11 H new ATOM 0 HA THR A 113 -1.579 -6.909 -10.755 1.00 1.54 H new ATOM 0 HB THR A 113 -3.496 -8.259 -11.754 1.00 25.14 H new ATOM 0 HG1 THR A 113 -3.106 -9.834 -9.696 1.00 41.03 H new ATOM 0 HG21 THR A 113 -2.012 -9.747 -13.072 1.00 21.45 H new ATOM 0 HG22 THR A 113 -1.310 -8.126 -12.859 1.00 21.45 H new ATOM 0 HG23 THR A 113 -0.716 -9.488 -11.880 1.00 21.45 H new ATOM 1784 N ASP A 114 -3.197 -7.152 -8.105 1.00 72.20 N ATOM 1785 CA ASP A 114 -4.246 -6.584 -7.274 1.00 54.42 C ATOM 1786 C ASP A 114 -3.639 -5.858 -6.078 1.00 44.14 C ATOM 1787 O ASP A 114 -2.903 -6.450 -5.293 1.00 52.12 O ATOM 1788 CB ASP A 114 -5.219 -7.679 -6.794 1.00 1.41 C ATOM 1789 CG ASP A 114 -6.003 -8.359 -7.910 1.00 72.43 C ATOM 1790 OD1 ASP A 114 -7.110 -7.875 -8.247 1.00 33.45 O ATOM 1791 OD2 ASP A 114 -5.539 -9.390 -8.455 1.00 62.13 O ATOM 0 H ASP A 114 -2.451 -7.613 -7.584 1.00 72.20 H new ATOM 0 HA ASP A 114 -4.806 -5.867 -7.875 1.00 54.42 H new ATOM 0 HB2 ASP A 114 -4.655 -8.436 -6.250 1.00 1.41 H new ATOM 0 HB3 ASP A 114 -5.923 -7.238 -6.088 1.00 1.41 H new ATOM 1796 N LEU A 115 -3.953 -4.588 -5.954 1.00 2.10 N ATOM 1797 CA LEU A 115 -3.431 -3.714 -4.905 1.00 11.13 C ATOM 1798 C LEU A 115 -4.532 -2.861 -4.298 1.00 2.02 C ATOM 1799 O LEU A 115 -5.465 -2.484 -4.978 1.00 53.24 O ATOM 1800 CB LEU A 115 -2.337 -2.798 -5.478 1.00 43.52 C ATOM 1801 CG LEU A 115 -1.023 -3.467 -5.855 1.00 2.51 C ATOM 1802 CD1 LEU A 115 -0.108 -2.467 -6.536 1.00 72.43 C ATOM 1803 CD2 LEU A 115 -0.341 -4.007 -4.612 1.00 64.32 C ATOM 0 H LEU A 115 -4.593 -4.114 -6.591 1.00 2.10 H new ATOM 0 HA LEU A 115 -3.012 -4.347 -4.123 1.00 11.13 H new ATOM 0 HB2 LEU A 115 -2.735 -2.303 -6.364 1.00 43.52 H new ATOM 0 HB3 LEU A 115 -2.126 -2.019 -4.746 1.00 43.52 H new ATOM 0 HG LEU A 115 -1.233 -4.289 -6.539 1.00 2.51 H new ATOM 0 HD11 LEU A 115 0.830 -2.955 -6.802 1.00 72.43 H new ATOM 0 HD12 LEU A 115 -0.589 -2.089 -7.438 1.00 72.43 H new ATOM 0 HD13 LEU A 115 0.094 -1.638 -5.858 1.00 72.43 H new ATOM 0 HD21 LEU A 115 0.599 -4.484 -4.891 1.00 64.32 H new ATOM 0 HD22 LEU A 115 -0.141 -3.188 -3.922 1.00 64.32 H new ATOM 0 HD23 LEU A 115 -0.990 -4.738 -4.129 1.00 64.32 H new ATOM 1815 N SER A 116 -4.422 -2.590 -3.026 1.00 42.32 N ATOM 1816 CA SER A 116 -5.339 -1.743 -2.326 1.00 22.21 C ATOM 1817 C SER A 116 -4.551 -0.761 -1.463 1.00 43.34 C ATOM 1818 O SER A 116 -3.544 -1.134 -0.852 1.00 24.13 O ATOM 1819 CB SER A 116 -6.320 -2.589 -1.481 1.00 40.23 C ATOM 1820 OG SER A 116 -5.632 -3.458 -0.577 1.00 52.13 O ATOM 0 H SER A 116 -3.676 -2.961 -2.438 1.00 42.32 H new ATOM 0 HA SER A 116 -5.937 -1.176 -3.039 1.00 22.21 H new ATOM 0 HB2 SER A 116 -6.978 -1.927 -0.918 1.00 40.23 H new ATOM 0 HB3 SER A 116 -6.952 -3.181 -2.143 1.00 40.23 H new ATOM 0 HG SER A 116 -6.206 -3.648 0.195 1.00 52.13 H new ATOM 1826 N MET A 117 -4.966 0.477 -1.442 1.00 74.43 N ATOM 1827 CA MET A 117 -4.290 1.495 -0.662 1.00 15.11 C ATOM 1828 C MET A 117 -5.306 2.576 -0.322 1.00 63.22 C ATOM 1829 O MET A 117 -6.406 2.579 -0.890 1.00 72.52 O ATOM 1830 CB MET A 117 -3.076 2.086 -1.451 1.00 12.13 C ATOM 1831 CG MET A 117 -3.443 2.935 -2.672 1.00 63.02 C ATOM 1832 SD MET A 117 -2.014 3.484 -3.616 1.00 21.44 S ATOM 1833 CE MET A 117 -1.328 1.926 -4.161 1.00 41.20 C ATOM 0 H MET A 117 -5.778 0.814 -1.960 1.00 74.43 H new ATOM 0 HA MET A 117 -3.890 1.063 0.255 1.00 15.11 H new ATOM 0 HB2 MET A 117 -2.482 2.696 -0.770 1.00 12.13 H new ATOM 0 HB3 MET A 117 -2.441 1.263 -1.778 1.00 12.13 H new ATOM 0 HG2 MET A 117 -4.099 2.357 -3.323 1.00 63.02 H new ATOM 0 HG3 MET A 117 -4.008 3.807 -2.342 1.00 63.02 H new ATOM 0 HE1 MET A 117 -0.416 1.715 -3.602 1.00 41.20 H new ATOM 0 HE2 MET A 117 -2.052 1.130 -3.989 1.00 41.20 H new ATOM 0 HE3 MET A 117 -1.097 1.982 -5.225 1.00 41.20 H new ATOM 1843 N PRO A 118 -5.000 3.481 0.615 1.00 62.43 N ATOM 1844 CA PRO A 118 -5.902 4.553 0.952 1.00 44.21 C ATOM 1845 C PRO A 118 -5.647 5.755 0.062 1.00 15.42 C ATOM 1846 O PRO A 118 -4.884 5.676 -0.913 1.00 22.45 O ATOM 1847 CB PRO A 118 -5.500 4.873 2.392 1.00 1.23 C ATOM 1848 CG PRO A 118 -4.025 4.651 2.410 1.00 51.31 C ATOM 1849 CD PRO A 118 -3.753 3.541 1.423 1.00 51.24 C ATOM 0 HA PRO A 118 -6.954 4.297 0.831 1.00 44.21 H new ATOM 0 HB2 PRO A 118 -5.753 5.899 2.659 1.00 1.23 H new ATOM 0 HB3 PRO A 118 -6.011 4.224 3.103 1.00 1.23 H new ATOM 0 HG2 PRO A 118 -3.491 5.559 2.131 1.00 51.31 H new ATOM 0 HG3 PRO A 118 -3.685 4.376 3.408 1.00 51.31 H new ATOM 0 HD2 PRO A 118 -2.883 3.759 0.803 1.00 51.24 H new ATOM 0 HD3 PRO A 118 -3.556 2.595 1.927 1.00 51.24 H new ATOM 1857 N ARG A 119 -6.270 6.856 0.381 1.00 22.04 N ATOM 1858 CA ARG A 119 -6.021 8.083 -0.328 1.00 21.10 C ATOM 1859 C ARG A 119 -4.692 8.693 0.153 1.00 14.33 C ATOM 1860 O ARG A 119 -4.644 9.561 1.022 1.00 20.30 O ATOM 1861 CB ARG A 119 -7.213 9.044 -0.205 1.00 11.24 C ATOM 1862 CG ARG A 119 -7.610 9.310 1.224 1.00 41.42 C ATOM 1863 CD ARG A 119 -8.817 10.194 1.340 1.00 30.41 C ATOM 1864 NE ARG A 119 -9.121 10.414 2.742 1.00 44.44 N ATOM 1865 CZ ARG A 119 -10.316 10.310 3.299 1.00 23.41 C ATOM 1866 NH1 ARG A 119 -11.401 10.154 2.543 1.00 64.14 N ATOM 1867 NH2 ARG A 119 -10.431 10.407 4.612 1.00 2.32 N ATOM 0 H ARG A 119 -6.957 6.930 1.131 1.00 22.04 H new ATOM 0 HA ARG A 119 -5.918 7.879 -1.394 1.00 21.10 H new ATOM 0 HB2 ARG A 119 -6.963 9.988 -0.688 1.00 11.24 H new ATOM 0 HB3 ARG A 119 -8.065 8.627 -0.742 1.00 11.24 H new ATOM 0 HG2 ARG A 119 -7.811 8.362 1.722 1.00 41.42 H new ATOM 0 HG3 ARG A 119 -6.774 9.774 1.748 1.00 41.42 H new ATOM 0 HD2 ARG A 119 -8.633 11.146 0.843 1.00 30.41 H new ATOM 0 HD3 ARG A 119 -9.669 9.733 0.840 1.00 30.41 H new ATOM 0 HE ARG A 119 -8.345 10.671 3.351 1.00 44.44 H new ATOM 0 HH11 ARG A 119 -11.314 10.114 1.528 1.00 64.14 H new ATOM 0 HH12 ARG A 119 -12.320 10.074 2.979 1.00 64.14 H new ATOM 0 HH21 ARG A 119 -9.602 10.561 5.187 1.00 2.32 H new ATOM 0 HH22 ARG A 119 -11.348 10.328 5.051 1.00 2.32 H new ATOM 1881 N ILE A 120 -3.634 8.130 -0.362 1.00 5.15 N ATOM 1882 CA ILE A 120 -2.271 8.491 -0.037 1.00 72.12 C ATOM 1883 C ILE A 120 -1.975 9.977 -0.296 1.00 74.23 C ATOM 1884 O ILE A 120 -2.021 10.459 -1.426 1.00 71.14 O ATOM 1885 CB ILE A 120 -1.271 7.550 -0.788 1.00 54.31 C ATOM 1886 CG1 ILE A 120 -1.591 7.534 -2.301 1.00 3.44 C ATOM 1887 CG2 ILE A 120 -1.323 6.139 -0.197 1.00 1.41 C ATOM 1888 CD1 ILE A 120 -0.801 6.548 -3.127 1.00 72.24 C ATOM 0 H ILE A 120 -3.694 7.377 -1.047 1.00 5.15 H new ATOM 0 HA ILE A 120 -2.135 8.349 1.035 1.00 72.12 H new ATOM 0 HB ILE A 120 -0.258 7.931 -0.659 1.00 54.31 H new ATOM 0 HG12 ILE A 120 -2.652 7.318 -2.427 1.00 3.44 H new ATOM 0 HG13 ILE A 120 -1.420 8.534 -2.700 1.00 3.44 H new ATOM 0 HG21 ILE A 120 -0.622 5.496 -0.729 1.00 1.41 H new ATOM 0 HG22 ILE A 120 -1.052 6.176 0.858 1.00 1.41 H new ATOM 0 HG23 ILE A 120 -2.332 5.739 -0.298 1.00 1.41 H new ATOM 0 HD11 ILE A 120 -1.105 6.622 -4.171 1.00 72.24 H new ATOM 0 HD12 ILE A 120 0.262 6.772 -3.042 1.00 72.24 H new ATOM 0 HD13 ILE A 120 -0.989 5.537 -2.765 1.00 72.24 H new ATOM 1900 N GLY A 121 -1.741 10.708 0.776 1.00 53.31 N ATOM 1901 CA GLY A 121 -1.414 12.111 0.668 1.00 32.52 C ATOM 1902 C GLY A 121 -2.643 12.994 0.738 1.00 23.41 C ATOM 1903 O GLY A 121 -2.668 13.979 1.501 1.00 53.45 O ATOM 0 H GLY A 121 -1.772 10.351 1.731 1.00 53.31 H new ATOM 0 HA2 GLY A 121 -0.727 12.384 1.469 1.00 32.52 H new ATOM 0 HA3 GLY A 121 -0.894 12.289 -0.273 1.00 32.52 H new ATOM 1907 N CYS A 122 -3.659 12.638 -0.063 1.00 43.45 N ATOM 1908 CA CYS A 122 -4.953 13.353 -0.164 1.00 63.32 C ATOM 1909 C CYS A 122 -4.799 14.713 -0.860 1.00 54.15 C ATOM 1910 O CYS A 122 -5.384 14.960 -1.916 1.00 73.31 O ATOM 1911 CB CYS A 122 -5.605 13.539 1.219 1.00 23.21 C ATOM 1912 SG CYS A 122 -5.855 12.012 2.141 1.00 33.32 S ATOM 0 H CYS A 122 -3.608 11.825 -0.677 1.00 43.45 H new ATOM 0 HA CYS A 122 -5.607 12.730 -0.774 1.00 63.32 H new ATOM 0 HB2 CYS A 122 -4.983 14.209 1.813 1.00 23.21 H new ATOM 0 HB3 CYS A 122 -6.569 14.031 1.089 1.00 23.21 H new ATOM 0 HG CYS A 122 -5.197 11.047 1.569 1.00 33.32 H new ATOM 1918 N GLY A 123 -4.012 15.561 -0.270 1.00 12.02 N ATOM 1919 CA GLY A 123 -3.801 16.879 -0.767 1.00 32.22 C ATOM 1920 C GLY A 123 -3.447 17.786 0.366 1.00 74.51 C ATOM 1921 O GLY A 123 -4.159 17.823 1.376 1.00 23.44 O ATOM 0 H GLY A 123 -3.493 15.350 0.582 1.00 12.02 H new ATOM 0 HA2 GLY A 123 -3.002 16.876 -1.508 1.00 32.22 H new ATOM 0 HA3 GLY A 123 -4.700 17.239 -1.268 1.00 32.22 H new ATOM 1925 N LEU A 124 -2.366 18.493 0.239 1.00 22.24 N ATOM 1926 CA LEU A 124 -1.925 19.367 1.299 1.00 21.40 C ATOM 1927 C LEU A 124 -1.561 20.736 0.755 1.00 50.22 C ATOM 1928 O LEU A 124 -2.350 21.671 0.849 1.00 2.23 O ATOM 1929 CB LEU A 124 -0.759 18.732 2.083 1.00 41.03 C ATOM 1930 CG LEU A 124 -0.163 19.550 3.235 1.00 14.21 C ATOM 1931 CD1 LEU A 124 -1.200 19.802 4.319 1.00 43.24 C ATOM 1932 CD2 LEU A 124 1.057 18.845 3.807 1.00 64.13 C ATOM 0 H LEU A 124 -1.767 18.486 -0.587 1.00 22.24 H new ATOM 0 HA LEU A 124 -2.750 19.505 1.998 1.00 21.40 H new ATOM 0 HB2 LEU A 124 -1.102 17.780 2.487 1.00 41.03 H new ATOM 0 HB3 LEU A 124 0.041 18.509 1.377 1.00 41.03 H new ATOM 0 HG LEU A 124 0.149 20.518 2.842 1.00 14.21 H new ATOM 0 HD11 LEU A 124 -0.751 20.384 5.124 1.00 43.24 H new ATOM 0 HD12 LEU A 124 -2.040 20.354 3.897 1.00 43.24 H new ATOM 0 HD13 LEU A 124 -1.553 18.849 4.714 1.00 43.24 H new ATOM 0 HD21 LEU A 124 1.470 19.437 4.624 1.00 64.13 H new ATOM 0 HD22 LEU A 124 0.768 17.863 4.181 1.00 64.13 H new ATOM 0 HD23 LEU A 124 1.809 18.729 3.027 1.00 64.13 H new ATOM 1944 N ASP A 125 -0.402 20.845 0.150 1.00 70.24 N ATOM 1945 CA ASP A 125 0.034 22.117 -0.397 1.00 52.22 C ATOM 1946 C ASP A 125 0.460 21.939 -1.851 1.00 71.54 C ATOM 1947 O ASP A 125 -0.327 22.198 -2.760 1.00 62.55 O ATOM 1948 CB ASP A 125 1.145 22.742 0.474 1.00 1.42 C ATOM 1949 CG ASP A 125 1.573 24.128 0.025 1.00 21.30 C ATOM 1950 OD1 ASP A 125 0.901 25.116 0.386 1.00 1.04 O ATOM 1951 OD2 ASP A 125 2.593 24.250 -0.677 1.00 1.04 O ATOM 0 H ASP A 125 0.256 20.076 0.022 1.00 70.24 H new ATOM 0 HA ASP A 125 -0.800 22.819 -0.383 1.00 52.22 H new ATOM 0 HB2 ASP A 125 0.797 22.796 1.505 1.00 1.42 H new ATOM 0 HB3 ASP A 125 2.014 22.084 0.465 1.00 1.42 H new ATOM 1956 N ARG A 126 1.677 21.454 -2.086 1.00 5.53 N ATOM 1957 CA ARG A 126 2.119 21.172 -3.458 1.00 42.11 C ATOM 1958 C ARG A 126 1.603 19.873 -3.998 1.00 64.32 C ATOM 1959 O ARG A 126 1.555 19.682 -5.205 1.00 3.43 O ATOM 1960 CB ARG A 126 3.631 21.337 -3.686 1.00 2.34 C ATOM 1961 CG ARG A 126 3.993 22.677 -4.319 1.00 33.13 C ATOM 1962 CD ARG A 126 3.495 23.833 -3.493 1.00 61.44 C ATOM 1963 NE ARG A 126 3.625 25.116 -4.176 1.00 12.24 N ATOM 1964 CZ ARG A 126 3.090 26.253 -3.726 1.00 2.02 C ATOM 1965 NH1 ARG A 126 2.485 26.275 -2.546 1.00 43.44 N ATOM 1966 NH2 ARG A 126 3.177 27.366 -4.447 1.00 44.21 N ATOM 0 H ARG A 126 2.366 21.250 -1.363 1.00 5.53 H new ATOM 0 HA ARG A 126 1.650 21.959 -4.048 1.00 42.11 H new ATOM 0 HB2 ARG A 126 4.150 21.239 -2.732 1.00 2.34 H new ATOM 0 HB3 ARG A 126 3.987 20.530 -4.327 1.00 2.34 H new ATOM 0 HG2 ARG A 126 5.075 22.747 -4.429 1.00 33.13 H new ATOM 0 HG3 ARG A 126 3.566 22.734 -5.320 1.00 33.13 H new ATOM 0 HD2 ARG A 126 2.448 23.667 -3.238 1.00 61.44 H new ATOM 0 HD3 ARG A 126 4.049 23.868 -2.555 1.00 61.44 H new ATOM 0 HE ARG A 126 4.155 25.146 -5.047 1.00 12.24 H new ATOM 0 HH11 ARG A 126 2.430 25.425 -1.985 1.00 43.44 H new ATOM 0 HH12 ARG A 126 2.075 27.142 -2.199 1.00 43.44 H new ATOM 0 HH21 ARG A 126 3.654 27.354 -5.348 1.00 44.21 H new ATOM 0 HH22 ARG A 126 2.767 28.232 -4.099 1.00 44.21 H new ATOM 1980 N LEU A 127 1.224 18.965 -3.132 1.00 55.51 N ATOM 1981 CA LEU A 127 0.647 17.751 -3.608 1.00 21.44 C ATOM 1982 C LEU A 127 -0.838 17.770 -3.544 1.00 23.31 C ATOM 1983 O LEU A 127 -1.439 18.256 -2.570 1.00 30.32 O ATOM 1984 CB LEU A 127 1.205 16.479 -2.983 1.00 52.21 C ATOM 1985 CG LEU A 127 2.661 16.160 -3.253 1.00 42.05 C ATOM 1986 CD1 LEU A 127 3.598 17.023 -2.438 1.00 24.55 C ATOM 1987 CD2 LEU A 127 2.936 14.682 -3.101 1.00 32.05 C ATOM 0 H LEU A 127 1.305 19.047 -2.119 1.00 55.51 H new ATOM 0 HA LEU A 127 0.950 17.712 -4.654 1.00 21.44 H new ATOM 0 HB2 LEU A 127 1.067 16.544 -1.904 1.00 52.21 H new ATOM 0 HB3 LEU A 127 0.604 15.639 -3.331 1.00 52.21 H new ATOM 0 HG LEU A 127 2.864 16.411 -4.294 1.00 42.05 H new ATOM 0 HD11 LEU A 127 4.630 16.756 -2.667 1.00 24.55 H new ATOM 0 HD12 LEU A 127 3.432 18.072 -2.682 1.00 24.55 H new ATOM 0 HD13 LEU A 127 3.409 16.863 -1.376 1.00 24.55 H new ATOM 0 HD21 LEU A 127 3.989 14.485 -3.301 1.00 32.05 H new ATOM 0 HD22 LEU A 127 2.695 14.370 -2.085 1.00 32.05 H new ATOM 0 HD23 LEU A 127 2.322 14.123 -3.807 1.00 32.05 H new ATOM 1999 N GLN A 128 -1.415 17.257 -4.579 1.00 33.15 N ATOM 2000 CA GLN A 128 -2.809 17.166 -4.767 1.00 33.32 C ATOM 2001 C GLN A 128 -3.117 15.782 -5.308 1.00 3.24 C ATOM 2002 O GLN A 128 -2.340 15.256 -6.119 1.00 23.00 O ATOM 2003 CB GLN A 128 -3.230 18.254 -5.756 1.00 33.30 C ATOM 2004 CG GLN A 128 -4.639 18.138 -6.279 1.00 11.51 C ATOM 2005 CD GLN A 128 -5.732 18.212 -5.218 1.00 63.20 C ATOM 2006 OE1 GLN A 128 -5.549 17.809 -4.063 1.00 1.21 O ATOM 2007 NE2 GLN A 128 -6.863 18.723 -5.594 1.00 11.44 N ATOM 0 H GLN A 128 -0.885 16.869 -5.359 1.00 33.15 H new ATOM 0 HA GLN A 128 -3.356 17.312 -3.836 1.00 33.32 H new ATOM 0 HB2 GLN A 128 -3.118 19.225 -5.273 1.00 33.30 H new ATOM 0 HB3 GLN A 128 -2.543 18.238 -6.602 1.00 33.30 H new ATOM 0 HG2 GLN A 128 -4.806 18.932 -7.006 1.00 11.51 H new ATOM 0 HG3 GLN A 128 -4.735 17.192 -6.812 1.00 11.51 H new ATOM 0 HE21 GLN A 128 -6.982 19.046 -6.554 1.00 11.44 H new ATOM 0 HE22 GLN A 128 -7.633 18.802 -4.930 1.00 11.44 H new ATOM 2016 N TRP A 129 -4.234 15.197 -4.869 1.00 32.22 N ATOM 2017 CA TRP A 129 -4.617 13.843 -5.271 1.00 23.11 C ATOM 2018 C TRP A 129 -4.699 13.694 -6.788 1.00 12.41 C ATOM 2019 O TRP A 129 -4.274 12.689 -7.327 1.00 22.15 O ATOM 2020 CB TRP A 129 -5.933 13.392 -4.613 1.00 53.01 C ATOM 2021 CG TRP A 129 -6.305 11.999 -5.002 1.00 3.22 C ATOM 2022 CD1 TRP A 129 -7.258 11.616 -5.898 1.00 0.01 C ATOM 2023 CD2 TRP A 129 -5.689 10.804 -4.534 1.00 33.05 C ATOM 2024 NE1 TRP A 129 -7.270 10.251 -6.010 1.00 52.34 N ATOM 2025 CE2 TRP A 129 -6.310 9.727 -5.180 1.00 63.53 C ATOM 2026 CE3 TRP A 129 -4.670 10.548 -3.629 1.00 11.02 C ATOM 2027 CZ2 TRP A 129 -5.935 8.400 -4.941 1.00 31.14 C ATOM 2028 CZ3 TRP A 129 -4.306 9.250 -3.397 1.00 35.31 C ATOM 2029 CH2 TRP A 129 -4.931 8.189 -4.050 1.00 45.35 C ATOM 0 H TRP A 129 -4.892 15.644 -4.231 1.00 32.22 H new ATOM 0 HA TRP A 129 -3.823 13.187 -4.913 1.00 23.11 H new ATOM 0 HB2 TRP A 129 -5.835 13.452 -3.529 1.00 53.01 H new ATOM 0 HB3 TRP A 129 -6.734 14.074 -4.899 1.00 53.01 H new ATOM 0 HD1 TRP A 129 -7.907 12.289 -6.439 1.00 0.01 H new ATOM 0 HE1 TRP A 129 -7.891 9.711 -6.612 1.00 52.34 H new ATOM 0 HE3 TRP A 129 -4.173 11.359 -3.117 1.00 11.02 H new ATOM 0 HZ2 TRP A 129 -6.423 7.578 -5.444 1.00 31.14 H new ATOM 0 HZ3 TRP A 129 -3.515 9.042 -2.691 1.00 35.31 H new ATOM 0 HH2 TRP A 129 -4.611 7.178 -3.844 1.00 45.35 H new ATOM 2040 N GLU A 130 -5.237 14.708 -7.449 1.00 34.10 N ATOM 2041 CA GLU A 130 -5.352 14.749 -8.910 1.00 73.32 C ATOM 2042 C GLU A 130 -3.996 14.465 -9.587 1.00 2.14 C ATOM 2043 O GLU A 130 -3.926 13.814 -10.634 1.00 33.32 O ATOM 2044 CB GLU A 130 -5.852 16.128 -9.324 1.00 55.23 C ATOM 2045 CG GLU A 130 -6.019 16.328 -10.814 1.00 44.25 C ATOM 2046 CD GLU A 130 -6.435 17.728 -11.134 1.00 62.04 C ATOM 2047 OE1 GLU A 130 -5.564 18.621 -11.145 1.00 43.21 O ATOM 2048 OE2 GLU A 130 -7.633 17.972 -11.333 1.00 51.21 O ATOM 0 H GLU A 130 -5.612 15.537 -6.987 1.00 34.10 H new ATOM 0 HA GLU A 130 -6.053 13.978 -9.228 1.00 73.32 H new ATOM 0 HB2 GLU A 130 -6.811 16.311 -8.839 1.00 55.23 H new ATOM 0 HB3 GLU A 130 -5.156 16.878 -8.948 1.00 55.23 H new ATOM 0 HG2 GLU A 130 -5.081 16.101 -11.320 1.00 44.25 H new ATOM 0 HG3 GLU A 130 -6.764 15.629 -11.195 1.00 44.25 H new ATOM 2055 N ASN A 131 -2.932 14.949 -8.985 1.00 35.13 N ATOM 2056 CA ASN A 131 -1.604 14.737 -9.527 1.00 4.11 C ATOM 2057 C ASN A 131 -1.126 13.346 -9.192 1.00 12.23 C ATOM 2058 O ASN A 131 -0.539 12.661 -10.024 1.00 4.34 O ATOM 2059 CB ASN A 131 -0.603 15.762 -9.008 1.00 41.11 C ATOM 2060 CG ASN A 131 -0.964 17.198 -9.333 1.00 32.02 C ATOM 2061 OD1 ASN A 131 -1.628 17.489 -10.329 1.00 42.42 O ATOM 2062 ND2 ASN A 131 -0.515 18.100 -8.513 1.00 75.12 N ATOM 0 H ASN A 131 -2.958 15.491 -8.122 1.00 35.13 H new ATOM 0 HA ASN A 131 -1.671 14.856 -10.608 1.00 4.11 H new ATOM 0 HB2 ASN A 131 -0.518 15.656 -7.927 1.00 41.11 H new ATOM 0 HB3 ASN A 131 0.378 15.541 -9.428 1.00 41.11 H new ATOM 0 HD21 ASN A 131 -0.709 19.087 -8.684 1.00 75.12 H new ATOM 0 HD22 ASN A 131 0.032 17.822 -7.698 1.00 75.12 H new ATOM 2069 N VAL A 132 -1.401 12.932 -7.966 1.00 11.24 N ATOM 2070 CA VAL A 132 -1.019 11.613 -7.476 1.00 2.14 C ATOM 2071 C VAL A 132 -1.668 10.521 -8.322 1.00 33.31 C ATOM 2072 O VAL A 132 -0.985 9.628 -8.824 1.00 63.44 O ATOM 2073 CB VAL A 132 -1.416 11.431 -5.981 1.00 11.44 C ATOM 2074 CG1 VAL A 132 -1.064 10.034 -5.481 1.00 24.45 C ATOM 2075 CG2 VAL A 132 -0.735 12.489 -5.120 1.00 31.22 C ATOM 0 H VAL A 132 -1.896 13.501 -7.279 1.00 11.24 H new ATOM 0 HA VAL A 132 0.065 11.530 -7.556 1.00 2.14 H new ATOM 0 HB VAL A 132 -2.496 11.553 -5.903 1.00 11.44 H new ATOM 0 HG11 VAL A 132 -1.353 9.938 -4.434 1.00 24.45 H new ATOM 0 HG12 VAL A 132 -1.596 9.290 -6.074 1.00 24.45 H new ATOM 0 HG13 VAL A 132 0.010 9.873 -5.577 1.00 24.45 H new ATOM 0 HG21 VAL A 132 -1.022 12.350 -4.078 1.00 31.22 H new ATOM 0 HG22 VAL A 132 0.347 12.394 -5.215 1.00 31.22 H new ATOM 0 HG23 VAL A 132 -1.043 13.481 -5.451 1.00 31.22 H new ATOM 2085 N SER A 133 -2.980 10.619 -8.507 1.00 4.52 N ATOM 2086 CA SER A 133 -3.721 9.661 -9.274 1.00 60.23 C ATOM 2087 C SER A 133 -3.216 9.591 -10.713 1.00 32.24 C ATOM 2088 O SER A 133 -3.079 8.506 -11.273 1.00 22.30 O ATOM 2089 CB SER A 133 -5.224 9.977 -9.212 1.00 23.05 C ATOM 2090 OG SER A 133 -5.519 11.299 -9.661 1.00 71.41 O ATOM 0 H SER A 133 -3.549 11.373 -8.122 1.00 4.52 H new ATOM 0 HA SER A 133 -3.566 8.675 -8.837 1.00 60.23 H new ATOM 0 HB2 SER A 133 -5.770 9.258 -9.823 1.00 23.05 H new ATOM 0 HB3 SER A 133 -5.576 9.857 -8.188 1.00 23.05 H new ATOM 0 HG SER A 133 -5.254 11.945 -8.973 1.00 71.41 H new ATOM 2096 N ALA A 134 -2.902 10.755 -11.284 1.00 64.32 N ATOM 2097 CA ALA A 134 -2.390 10.833 -12.643 1.00 72.44 C ATOM 2098 C ALA A 134 -1.066 10.087 -12.752 1.00 1.44 C ATOM 2099 O ALA A 134 -0.894 9.244 -13.621 1.00 62.43 O ATOM 2100 CB ALA A 134 -2.226 12.283 -13.063 1.00 4.11 C ATOM 0 H ALA A 134 -2.996 11.658 -10.819 1.00 64.32 H new ATOM 0 HA ALA A 134 -3.107 10.361 -13.315 1.00 72.44 H new ATOM 0 HB1 ALA A 134 -1.842 12.325 -14.082 1.00 4.11 H new ATOM 0 HB2 ALA A 134 -3.192 12.786 -13.018 1.00 4.11 H new ATOM 0 HB3 ALA A 134 -1.526 12.780 -12.391 1.00 4.11 H new ATOM 2106 N MET A 135 -0.158 10.390 -11.837 1.00 34.31 N ATOM 2107 CA MET A 135 1.158 9.753 -11.762 1.00 63.51 C ATOM 2108 C MET A 135 1.040 8.236 -11.659 1.00 63.11 C ATOM 2109 O MET A 135 1.787 7.508 -12.308 1.00 25.40 O ATOM 2110 CB MET A 135 1.922 10.275 -10.555 1.00 4.30 C ATOM 2111 CG MET A 135 3.287 9.634 -10.369 1.00 71.50 C ATOM 2112 SD MET A 135 4.114 10.199 -8.885 1.00 34.13 S ATOM 2113 CE MET A 135 4.232 11.948 -9.210 1.00 44.41 C ATOM 0 H MET A 135 -0.311 11.093 -11.114 1.00 34.31 H new ATOM 0 HA MET A 135 1.694 9.998 -12.679 1.00 63.51 H new ATOM 0 HB2 MET A 135 2.048 11.353 -10.655 1.00 4.30 H new ATOM 0 HB3 MET A 135 1.326 10.105 -9.658 1.00 4.30 H new ATOM 0 HG2 MET A 135 3.173 8.551 -10.328 1.00 71.50 H new ATOM 0 HG3 MET A 135 3.910 9.856 -11.235 1.00 71.50 H new ATOM 0 HE1 MET A 135 4.919 12.405 -8.498 1.00 44.41 H new ATOM 0 HE2 MET A 135 4.602 12.106 -10.223 1.00 44.41 H new ATOM 0 HE3 MET A 135 3.247 12.404 -9.108 1.00 44.41 H new ATOM 2123 N ILE A 136 0.109 7.769 -10.842 1.00 13.02 N ATOM 2124 CA ILE A 136 -0.122 6.339 -10.679 1.00 62.11 C ATOM 2125 C ILE A 136 -0.521 5.710 -12.016 1.00 60.04 C ATOM 2126 O ILE A 136 -0.027 4.635 -12.380 1.00 71.44 O ATOM 2127 CB ILE A 136 -1.205 6.049 -9.603 1.00 62.34 C ATOM 2128 CG1 ILE A 136 -0.745 6.583 -8.240 1.00 4.44 C ATOM 2129 CG2 ILE A 136 -1.505 4.553 -9.518 1.00 0.31 C ATOM 2130 CD1 ILE A 136 -1.745 6.376 -7.119 1.00 10.45 C ATOM 0 H ILE A 136 -0.502 8.361 -10.279 1.00 13.02 H new ATOM 0 HA ILE A 136 0.811 5.891 -10.337 1.00 62.11 H new ATOM 0 HB ILE A 136 -2.124 6.559 -9.892 1.00 62.34 H new ATOM 0 HG12 ILE A 136 0.192 6.096 -7.970 1.00 4.44 H new ATOM 0 HG13 ILE A 136 -0.536 7.649 -8.332 1.00 4.44 H new ATOM 0 HG21 ILE A 136 -2.266 4.377 -8.758 1.00 0.31 H new ATOM 0 HG22 ILE A 136 -1.868 4.199 -10.483 1.00 0.31 H new ATOM 0 HG23 ILE A 136 -0.596 4.014 -9.252 1.00 0.31 H new ATOM 0 HD11 ILE A 136 -1.341 6.782 -6.192 1.00 10.45 H new ATOM 0 HD12 ILE A 136 -2.676 6.887 -7.363 1.00 10.45 H new ATOM 0 HD13 ILE A 136 -1.937 5.310 -6.995 1.00 10.45 H new ATOM 2142 N GLU A 137 -1.374 6.402 -12.755 1.00 22.14 N ATOM 2143 CA GLU A 137 -1.802 5.943 -14.062 1.00 21.41 C ATOM 2144 C GLU A 137 -0.608 5.934 -15.017 1.00 33.13 C ATOM 2145 O GLU A 137 -0.445 5.012 -15.793 1.00 2.13 O ATOM 2146 CB GLU A 137 -2.913 6.840 -14.619 1.00 53.54 C ATOM 2147 CG GLU A 137 -4.139 6.943 -13.728 1.00 24.31 C ATOM 2148 CD GLU A 137 -5.196 7.873 -14.284 1.00 25.23 C ATOM 2149 OE1 GLU A 137 -4.885 9.063 -14.540 1.00 34.01 O ATOM 2150 OE2 GLU A 137 -6.368 7.453 -14.428 1.00 31.42 O ATOM 0 H GLU A 137 -1.785 7.290 -12.467 1.00 22.14 H new ATOM 0 HA GLU A 137 -2.198 4.932 -13.964 1.00 21.41 H new ATOM 0 HB2 GLU A 137 -2.510 7.840 -14.780 1.00 53.54 H new ATOM 0 HB3 GLU A 137 -3.218 6.459 -15.594 1.00 53.54 H new ATOM 0 HG2 GLU A 137 -4.569 5.950 -13.595 1.00 24.31 H new ATOM 0 HG3 GLU A 137 -3.836 7.294 -12.741 1.00 24.31 H new ATOM 2157 N GLU A 138 0.240 6.964 -14.919 1.00 33.43 N ATOM 2158 CA GLU A 138 1.432 7.084 -15.760 1.00 24.15 C ATOM 2159 C GLU A 138 2.404 5.924 -15.505 1.00 44.05 C ATOM 2160 O GLU A 138 2.926 5.320 -16.438 1.00 44.54 O ATOM 2161 CB GLU A 138 2.176 8.403 -15.500 1.00 61.02 C ATOM 2162 CG GLU A 138 1.349 9.666 -15.648 1.00 31.21 C ATOM 2163 CD GLU A 138 2.197 10.902 -15.520 1.00 20.31 C ATOM 2164 OE1 GLU A 138 2.533 11.295 -14.384 1.00 63.45 O ATOM 2165 OE2 GLU A 138 2.566 11.490 -16.555 1.00 55.24 O ATOM 0 H GLU A 138 0.119 7.732 -14.259 1.00 33.43 H new ATOM 0 HA GLU A 138 1.088 7.061 -16.794 1.00 24.15 H new ATOM 0 HB2 GLU A 138 2.585 8.375 -14.490 1.00 61.02 H new ATOM 0 HB3 GLU A 138 3.022 8.463 -16.185 1.00 61.02 H new ATOM 0 HG2 GLU A 138 0.852 9.664 -16.618 1.00 31.21 H new ATOM 0 HG3 GLU A 138 0.567 9.680 -14.889 1.00 31.21 H new ATOM 2172 N VAL A 139 2.645 5.632 -14.238 1.00 34.23 N ATOM 2173 CA VAL A 139 3.567 4.566 -13.853 1.00 23.15 C ATOM 2174 C VAL A 139 3.004 3.176 -14.186 1.00 41.04 C ATOM 2175 O VAL A 139 3.705 2.331 -14.760 1.00 64.42 O ATOM 2176 CB VAL A 139 3.946 4.641 -12.337 1.00 34.31 C ATOM 2177 CG1 VAL A 139 4.812 3.458 -11.937 1.00 71.13 C ATOM 2178 CG2 VAL A 139 4.689 5.937 -12.031 1.00 72.04 C ATOM 0 H VAL A 139 2.215 6.119 -13.452 1.00 34.23 H new ATOM 0 HA VAL A 139 4.473 4.719 -14.439 1.00 23.15 H new ATOM 0 HB VAL A 139 3.020 4.614 -11.763 1.00 34.31 H new ATOM 0 HG11 VAL A 139 5.063 3.532 -10.879 1.00 71.13 H new ATOM 0 HG12 VAL A 139 4.267 2.531 -12.117 1.00 71.13 H new ATOM 0 HG13 VAL A 139 5.728 3.461 -12.528 1.00 71.13 H new ATOM 0 HG21 VAL A 139 4.943 5.969 -10.972 1.00 72.04 H new ATOM 0 HG22 VAL A 139 5.602 5.982 -12.625 1.00 72.04 H new ATOM 0 HG23 VAL A 139 4.054 6.788 -12.278 1.00 72.04 H new ATOM 2188 N PHE A 140 1.756 2.953 -13.839 1.00 31.31 N ATOM 2189 CA PHE A 140 1.120 1.662 -14.045 1.00 54.43 C ATOM 2190 C PHE A 140 0.631 1.365 -15.438 1.00 41.15 C ATOM 2191 O PHE A 140 0.323 0.214 -15.728 1.00 74.41 O ATOM 2192 CB PHE A 140 0.046 1.349 -13.032 1.00 74.30 C ATOM 2193 CG PHE A 140 0.553 0.765 -11.757 1.00 52.23 C ATOM 2194 CD1 PHE A 140 0.854 -0.587 -11.695 1.00 41.42 C ATOM 2195 CD2 PHE A 140 0.688 1.529 -10.617 1.00 21.22 C ATOM 2196 CE1 PHE A 140 1.269 -1.158 -10.527 1.00 22.11 C ATOM 2197 CE2 PHE A 140 1.122 0.947 -9.439 1.00 45.22 C ATOM 2198 CZ PHE A 140 1.406 -0.406 -9.408 1.00 64.52 C ATOM 0 H PHE A 140 1.153 3.654 -13.408 1.00 31.31 H new ATOM 0 HA PHE A 140 1.959 0.985 -13.888 1.00 54.43 H new ATOM 0 HB2 PHE A 140 -0.501 2.264 -12.806 1.00 74.30 H new ATOM 0 HB3 PHE A 140 -0.666 0.654 -13.478 1.00 74.30 H new ATOM 0 HD1 PHE A 140 0.759 -1.196 -12.582 1.00 41.42 H new ATOM 0 HD2 PHE A 140 0.455 2.583 -10.644 1.00 21.22 H new ATOM 0 HE1 PHE A 140 1.489 -2.215 -10.494 1.00 22.11 H new ATOM 0 HE2 PHE A 140 1.238 1.546 -8.548 1.00 45.22 H new ATOM 0 HZ PHE A 140 1.738 -0.865 -8.489 1.00 64.52 H new ATOM 2208 N GLU A 141 0.505 2.340 -16.296 1.00 1.42 N ATOM 2209 CA GLU A 141 0.045 2.041 -17.597 1.00 40.43 C ATOM 2210 C GLU A 141 1.083 1.169 -18.321 1.00 45.54 C ATOM 2211 O GLU A 141 2.282 1.282 -18.052 1.00 53.21 O ATOM 2212 CB GLU A 141 -0.319 3.298 -18.353 1.00 33.43 C ATOM 2213 CG GLU A 141 -1.022 3.013 -19.631 1.00 32.32 C ATOM 2214 CD GLU A 141 -2.201 2.074 -19.415 1.00 13.54 C ATOM 2215 OE1 GLU A 141 -3.238 2.501 -18.888 1.00 64.34 O ATOM 2216 OE2 GLU A 141 -2.077 0.860 -19.740 1.00 72.04 O ATOM 0 H GLU A 141 0.712 3.322 -16.112 1.00 1.42 H new ATOM 0 HA GLU A 141 -0.877 1.463 -17.536 1.00 40.43 H new ATOM 0 HB2 GLU A 141 -0.953 3.924 -17.726 1.00 33.43 H new ATOM 0 HB3 GLU A 141 0.587 3.868 -18.560 1.00 33.43 H new ATOM 0 HG2 GLU A 141 -1.373 3.946 -20.072 1.00 32.32 H new ATOM 0 HG3 GLU A 141 -0.325 2.568 -20.341 1.00 32.32 H new ATOM 2223 N ALA A 142 0.585 0.285 -19.189 1.00 1.02 N ATOM 2224 CA ALA A 142 1.345 -0.768 -19.893 1.00 20.25 C ATOM 2225 C ALA A 142 1.422 -2.050 -19.052 1.00 32.40 C ATOM 2226 O ALA A 142 1.610 -3.154 -19.585 1.00 34.14 O ATOM 2227 CB ALA A 142 2.708 -0.315 -20.435 1.00 42.22 C ATOM 0 H ALA A 142 -0.405 0.278 -19.436 1.00 1.02 H new ATOM 0 HA ALA A 142 0.777 -1.000 -20.794 1.00 20.25 H new ATOM 0 HB1 ALA A 142 3.196 -1.151 -20.936 1.00 42.22 H new ATOM 0 HB2 ALA A 142 2.565 0.500 -21.144 1.00 42.22 H new ATOM 0 HB3 ALA A 142 3.332 0.028 -19.610 1.00 42.22 H new ATOM 2233 N THR A 143 1.261 -1.908 -17.744 1.00 53.40 N ATOM 2234 CA THR A 143 1.149 -3.055 -16.862 1.00 42.43 C ATOM 2235 C THR A 143 -0.318 -3.140 -16.477 1.00 75.51 C ATOM 2236 O THR A 143 -1.038 -2.152 -16.628 1.00 14.54 O ATOM 2237 CB THR A 143 2.018 -2.916 -15.554 1.00 71.21 C ATOM 2238 OG1 THR A 143 1.577 -1.824 -14.753 1.00 53.15 O ATOM 2239 CG2 THR A 143 3.481 -2.704 -15.872 1.00 41.41 C ATOM 0 H THR A 143 1.205 -1.006 -17.271 1.00 53.40 H new ATOM 0 HA THR A 143 1.514 -3.944 -17.376 1.00 42.43 H new ATOM 0 HB THR A 143 1.896 -3.852 -15.008 1.00 71.21 H new ATOM 0 HG1 THR A 143 1.425 -1.041 -15.322 1.00 53.15 H new ATOM 0 HG21 THR A 143 4.046 -2.613 -14.944 1.00 41.41 H new ATOM 0 HG22 THR A 143 3.856 -3.553 -16.443 1.00 41.41 H new ATOM 0 HG23 THR A 143 3.598 -1.793 -16.458 1.00 41.41 H new ATOM 2247 N ASP A 144 -0.786 -4.256 -16.007 1.00 5.24 N ATOM 2248 CA ASP A 144 -2.169 -4.310 -15.618 1.00 23.33 C ATOM 2249 C ASP A 144 -2.310 -4.822 -14.210 1.00 42.13 C ATOM 2250 O ASP A 144 -2.391 -6.028 -13.963 1.00 3.31 O ATOM 2251 CB ASP A 144 -3.041 -5.093 -16.605 1.00 50.13 C ATOM 2252 CG ASP A 144 -4.510 -4.967 -16.281 1.00 75.22 C ATOM 2253 OD1 ASP A 144 -5.114 -3.920 -16.620 1.00 41.41 O ATOM 2254 OD2 ASP A 144 -5.089 -5.887 -15.674 1.00 14.35 O ATOM 0 H ASP A 144 -0.254 -5.118 -15.884 1.00 5.24 H new ATOM 0 HA ASP A 144 -2.545 -3.287 -15.644 1.00 23.33 H new ATOM 0 HB2 ASP A 144 -2.860 -4.730 -17.617 1.00 50.13 H new ATOM 0 HB3 ASP A 144 -2.754 -6.144 -16.588 1.00 50.13 H new ATOM 2259 N ILE A 145 -2.245 -3.900 -13.287 1.00 50.55 N ATOM 2260 CA ILE A 145 -2.382 -4.180 -11.885 1.00 64.53 C ATOM 2261 C ILE A 145 -3.475 -3.274 -11.345 1.00 32.43 C ATOM 2262 O ILE A 145 -3.388 -2.049 -11.468 1.00 65.45 O ATOM 2263 CB ILE A 145 -1.014 -3.948 -11.138 1.00 15.43 C ATOM 2264 CG1 ILE A 145 0.057 -4.859 -11.782 1.00 55.30 C ATOM 2265 CG2 ILE A 145 -1.156 -4.252 -9.647 1.00 2.31 C ATOM 2266 CD1 ILE A 145 1.457 -4.632 -11.303 1.00 42.42 C ATOM 0 H ILE A 145 -2.092 -2.913 -13.494 1.00 50.55 H new ATOM 0 HA ILE A 145 -2.653 -5.223 -11.722 1.00 64.53 H new ATOM 0 HB ILE A 145 -0.714 -2.904 -11.233 1.00 15.43 H new ATOM 0 HG12 ILE A 145 -0.211 -5.898 -11.592 1.00 55.30 H new ATOM 0 HG13 ILE A 145 0.032 -4.715 -12.862 1.00 55.30 H new ATOM 0 HG21 ILE A 145 -0.201 -4.086 -9.149 1.00 2.31 H new ATOM 0 HG22 ILE A 145 -1.911 -3.597 -9.212 1.00 2.31 H new ATOM 0 HG23 ILE A 145 -1.458 -5.291 -9.515 1.00 2.31 H new ATOM 0 HD11 ILE A 145 2.132 -5.319 -11.814 1.00 42.42 H new ATOM 0 HD12 ILE A 145 1.753 -3.605 -11.518 1.00 42.42 H new ATOM 0 HD13 ILE A 145 1.507 -4.807 -10.228 1.00 42.42 H new ATOM 2278 N LYS A 146 -4.517 -3.870 -10.793 1.00 63.11 N ATOM 2279 CA LYS A 146 -5.647 -3.133 -10.326 1.00 23.33 C ATOM 2280 C LYS A 146 -5.376 -2.584 -8.972 1.00 51.34 C ATOM 2281 O LYS A 146 -4.951 -3.307 -8.079 1.00 22.35 O ATOM 2282 CB LYS A 146 -6.836 -4.024 -10.212 1.00 3.22 C ATOM 2283 CG LYS A 146 -8.087 -3.257 -9.879 1.00 1.42 C ATOM 2284 CD LYS A 146 -9.233 -4.156 -9.537 1.00 4.22 C ATOM 2285 CE LYS A 146 -9.181 -4.690 -8.079 1.00 3.52 C ATOM 2286 NZ LYS A 146 -7.950 -5.442 -7.734 1.00 12.14 N ATOM 0 H LYS A 146 -4.591 -4.879 -10.662 1.00 63.11 H new ATOM 0 HA LYS A 146 -5.837 -2.330 -11.038 1.00 23.33 H new ATOM 0 HB2 LYS A 146 -6.979 -4.560 -11.150 1.00 3.22 H new ATOM 0 HB3 LYS A 146 -6.655 -4.773 -9.442 1.00 3.22 H new ATOM 0 HG2 LYS A 146 -7.889 -2.590 -9.040 1.00 1.42 H new ATOM 0 HG3 LYS A 146 -8.362 -2.629 -10.727 1.00 1.42 H new ATOM 0 HD2 LYS A 146 -10.167 -3.615 -9.685 1.00 4.22 H new ATOM 0 HD3 LYS A 146 -9.241 -5.001 -10.226 1.00 4.22 H new ATOM 0 HE2 LYS A 146 -9.278 -3.847 -7.395 1.00 3.52 H new ATOM 0 HE3 LYS A 146 -10.043 -5.336 -7.913 1.00 3.52 H new ATOM 0 HZ1 LYS A 146 -8.032 -5.817 -6.767 1.00 12.14 H new ATOM 0 HZ2 LYS A 146 -7.826 -6.230 -8.402 1.00 12.14 H new ATOM 0 HZ3 LYS A 146 -7.128 -4.807 -7.791 1.00 12.14 H new ATOM 2300 N ILE A 147 -5.662 -1.344 -8.809 1.00 31.41 N ATOM 2301 CA ILE A 147 -5.417 -0.662 -7.585 1.00 62.11 C ATOM 2302 C ILE A 147 -6.733 -0.157 -7.047 1.00 24.34 C ATOM 2303 O ILE A 147 -7.427 0.623 -7.700 1.00 21.23 O ATOM 2304 CB ILE A 147 -4.477 0.520 -7.853 1.00 43.12 C ATOM 2305 CG1 ILE A 147 -3.206 0.000 -8.527 1.00 12.30 C ATOM 2306 CG2 ILE A 147 -4.140 1.244 -6.550 1.00 71.21 C ATOM 2307 CD1 ILE A 147 -2.360 1.066 -9.134 1.00 24.42 C ATOM 0 H ILE A 147 -6.081 -0.761 -9.534 1.00 31.41 H new ATOM 0 HA ILE A 147 -4.955 -1.331 -6.859 1.00 62.11 H new ATOM 0 HB ILE A 147 -4.969 1.235 -8.512 1.00 43.12 H new ATOM 0 HG12 ILE A 147 -2.614 -0.544 -7.791 1.00 12.30 H new ATOM 0 HG13 ILE A 147 -3.485 -0.714 -9.302 1.00 12.30 H new ATOM 0 HG21 ILE A 147 -3.472 2.079 -6.760 1.00 71.21 H new ATOM 0 HG22 ILE A 147 -5.057 1.618 -6.094 1.00 71.21 H new ATOM 0 HG23 ILE A 147 -3.650 0.552 -5.865 1.00 71.21 H new ATOM 0 HD11 ILE A 147 -1.479 0.615 -9.591 1.00 24.42 H new ATOM 0 HD12 ILE A 147 -2.933 1.596 -9.895 1.00 24.42 H new ATOM 0 HD13 ILE A 147 -2.048 1.768 -8.360 1.00 24.42 H new ATOM 2319 N THR A 148 -7.086 -0.606 -5.901 1.00 53.33 N ATOM 2320 CA THR A 148 -8.300 -0.205 -5.299 1.00 13.45 C ATOM 2321 C THR A 148 -7.997 0.779 -4.174 1.00 11.01 C ATOM 2322 O THR A 148 -7.323 0.437 -3.196 1.00 34.54 O ATOM 2323 CB THR A 148 -9.053 -1.419 -4.725 1.00 2.24 C ATOM 2324 OG1 THR A 148 -9.138 -2.461 -5.724 1.00 53.22 O ATOM 2325 CG2 THR A 148 -10.460 -1.008 -4.329 1.00 53.34 C ATOM 0 H THR A 148 -6.537 -1.266 -5.351 1.00 53.33 H new ATOM 0 HA THR A 148 -8.928 0.267 -6.055 1.00 13.45 H new ATOM 0 HB THR A 148 -8.514 -1.787 -3.852 1.00 2.24 H new ATOM 0 HG1 THR A 148 -9.616 -3.232 -5.353 1.00 53.22 H new ATOM 0 HG21 THR A 148 -10.990 -1.870 -3.923 1.00 53.34 H new ATOM 0 HG22 THR A 148 -10.411 -0.223 -3.574 1.00 53.34 H new ATOM 0 HG23 THR A 148 -10.990 -0.635 -5.205 1.00 53.34 H new ATOM 2333 N VAL A 149 -8.464 1.981 -4.324 1.00 5.31 N ATOM 2334 CA VAL A 149 -8.280 2.998 -3.331 1.00 52.01 C ATOM 2335 C VAL A 149 -9.556 3.147 -2.549 1.00 1.11 C ATOM 2336 O VAL A 149 -10.618 3.439 -3.119 1.00 54.45 O ATOM 2337 CB VAL A 149 -7.873 4.363 -3.960 1.00 51.13 C ATOM 2338 CG1 VAL A 149 -7.791 5.456 -2.898 1.00 71.32 C ATOM 2339 CG2 VAL A 149 -6.533 4.230 -4.660 1.00 70.40 C ATOM 0 H VAL A 149 -8.987 2.287 -5.144 1.00 5.31 H new ATOM 0 HA VAL A 149 -7.465 2.695 -2.674 1.00 52.01 H new ATOM 0 HB VAL A 149 -8.638 4.644 -4.684 1.00 51.13 H new ATOM 0 HG11 VAL A 149 -7.505 6.398 -3.366 1.00 71.32 H new ATOM 0 HG12 VAL A 149 -8.763 5.570 -2.418 1.00 71.32 H new ATOM 0 HG13 VAL A 149 -7.047 5.182 -2.150 1.00 71.32 H new ATOM 0 HG21 VAL A 149 -6.254 5.189 -5.098 1.00 70.40 H new ATOM 0 HG22 VAL A 149 -5.774 3.926 -3.939 1.00 70.40 H new ATOM 0 HG23 VAL A 149 -6.607 3.479 -5.447 1.00 70.40 H new ATOM 2349 N TYR A 150 -9.473 2.915 -1.274 1.00 43.52 N ATOM 2350 CA TYR A 150 -10.624 3.027 -0.437 1.00 51.24 C ATOM 2351 C TYR A 150 -10.732 4.384 0.196 1.00 62.34 C ATOM 2352 O TYR A 150 -9.809 4.862 0.871 1.00 12.54 O ATOM 2353 CB TYR A 150 -10.714 1.915 0.605 1.00 53.01 C ATOM 2354 CG TYR A 150 -10.996 0.545 0.022 1.00 12.11 C ATOM 2355 CD1 TYR A 150 -12.300 0.147 -0.261 1.00 33.31 C ATOM 2356 CD2 TYR A 150 -9.978 -0.350 -0.224 1.00 32.44 C ATOM 2357 CE1 TYR A 150 -12.569 -1.103 -0.771 1.00 65.34 C ATOM 2358 CE2 TYR A 150 -10.238 -1.600 -0.739 1.00 23.24 C ATOM 2359 CZ TYR A 150 -11.539 -1.972 -1.009 1.00 42.00 C ATOM 2360 OH TYR A 150 -11.804 -3.227 -1.514 1.00 3.50 O ATOM 0 H TYR A 150 -8.616 2.646 -0.791 1.00 43.52 H new ATOM 0 HA TYR A 150 -11.483 2.904 -1.096 1.00 51.24 H new ATOM 0 HB2 TYR A 150 -9.778 1.876 1.161 1.00 53.01 H new ATOM 0 HB3 TYR A 150 -11.499 2.163 1.319 1.00 53.01 H new ATOM 0 HD1 TYR A 150 -13.115 0.831 -0.077 1.00 33.31 H new ATOM 0 HD2 TYR A 150 -8.958 -0.066 -0.009 1.00 32.44 H new ATOM 0 HE1 TYR A 150 -13.587 -1.396 -0.982 1.00 65.34 H new ATOM 0 HE2 TYR A 150 -9.427 -2.287 -0.931 1.00 23.24 H new ATOM 0 HH TYR A 150 -11.043 -3.530 -2.052 1.00 3.50 H new ATOM 2370 N THR A 151 -11.847 5.004 -0.043 1.00 13.34 N ATOM 2371 CA THR A 151 -12.148 6.276 0.510 1.00 3.51 C ATOM 2372 C THR A 151 -12.913 6.076 1.805 1.00 53.34 C ATOM 2373 O THR A 151 -13.863 5.280 1.850 1.00 32.01 O ATOM 2374 CB THR A 151 -12.996 7.098 -0.477 1.00 70.22 C ATOM 2375 OG1 THR A 151 -14.169 6.350 -0.842 1.00 22.23 O ATOM 2376 CG2 THR A 151 -12.196 7.430 -1.730 1.00 72.15 C ATOM 0 H THR A 151 -12.583 4.627 -0.640 1.00 13.34 H new ATOM 0 HA THR A 151 -11.223 6.818 0.705 1.00 3.51 H new ATOM 0 HB THR A 151 -13.286 8.030 0.008 1.00 70.22 H new ATOM 0 HG1 THR A 151 -14.709 6.874 -1.469 1.00 22.23 H new ATOM 0 HG21 THR A 151 -12.815 8.011 -2.413 1.00 72.15 H new ATOM 0 HG22 THR A 151 -11.315 8.010 -1.456 1.00 72.15 H new ATOM 0 HG23 THR A 151 -11.885 6.507 -2.218 1.00 72.15 H new ATOM 2384 N LEU A 152 -12.500 6.753 2.840 1.00 63.22 N ATOM 2385 CA LEU A 152 -13.136 6.620 4.115 1.00 22.24 C ATOM 2386 C LEU A 152 -13.456 8.023 4.611 1.00 62.34 C ATOM 2387 O LEU A 152 -12.572 8.678 5.176 1.00 37.88 O ATOM 2388 CB LEU A 152 -12.194 5.847 5.084 1.00 44.02 C ATOM 2389 CG LEU A 152 -12.795 5.256 6.391 1.00 13.32 C ATOM 2390 CD1 LEU A 152 -11.748 4.441 7.124 1.00 71.43 C ATOM 2391 CD2 LEU A 152 -13.354 6.322 7.321 1.00 22.02 C ATOM 2392 OXT LEU A 152 -14.584 8.487 4.397 1.00 37.88 O ATOM 0 H LEU A 152 -11.718 7.408 2.821 1.00 63.22 H new ATOM 0 HA LEU A 152 -14.062 6.048 4.052 1.00 22.24 H new ATOM 0 HB2 LEU A 152 -11.745 5.026 4.525 1.00 44.02 H new ATOM 0 HB3 LEU A 152 -11.385 6.520 5.366 1.00 44.02 H new ATOM 0 HG LEU A 152 -13.627 4.619 6.092 1.00 13.32 H new ATOM 0 HD11 LEU A 152 -12.179 4.032 8.038 1.00 71.43 H new ATOM 0 HD12 LEU A 152 -11.409 3.625 6.486 1.00 71.43 H new ATOM 0 HD13 LEU A 152 -10.901 5.079 7.377 1.00 71.43 H new ATOM 0 HD21 LEU A 152 -13.759 5.849 8.215 1.00 22.02 H new ATOM 0 HD22 LEU A 152 -12.559 7.011 7.604 1.00 22.02 H new ATOM 0 HD23 LEU A 152 -14.145 6.871 6.811 1.00 22.02 H new TER 2404 LEU A 152