USER MOD reduce.3.24.130724 H: found=0, std=0, add=1146, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 957 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 115 SER OG : rot 180:sc= 0.00269 USER MOD Set 1.2: A 118 THR OG1 : rot 180:sc= 0.0441 USER MOD Set 2.1: A 102 MET CE :methyl 157:sc= -1.34 (180deg=-2.99) USER MOD Set 2.2: A 105 TYR OH : rot -30:sc=-0.00512 USER MOD Set 3.1: A 84 SER OG : rot 121:sc= 0.223 USER MOD Set 3.2: A 123 TYR OH : rot 100:sc= 0.373 USER MOD Set 4.1: A 25 ASN : amide:sc= 0.303 K(o=1.8,f=1.3) USER MOD Set 4.2: A 31 SER OG : rot -101:sc= 1.48 USER MOD Single : A 4 LYS NZ :NH3+ 154:sc= 0.566 (180deg=-0.561) USER MOD Single : A 5 LYS NZ :NH3+ 179:sc= 0.575 (180deg=0.574) USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.0666 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 45:sc= 0.492 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot -170:sc= 0.419 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -167:sc= -0.222 (180deg=-0.418) USER MOD Single : A 20 MET CE :methyl 166:sc= -0.0168 (180deg=-0.407) USER MOD Single : A 23 LYS NZ :NH3+ 162:sc= 1.22 (180deg=1.22) USER MOD Single : A 26 SER OG : rot 78:sc= 0.204 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 139:sc= 0.567 (180deg=-0.101) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0.21 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 MET CE :methyl 158:sc= -0.0499 (180deg=-0.367) USER MOD Single : A 48 TYR OH : rot -143:sc= 1.28 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 160:sc= 1.14 USER MOD Single : A 51 SER OG : rot 62:sc= 1.3 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 59 GLN : amide:sc= -0.463 X(o=-0.46,f=0) USER MOD Single : A 61 ASN : amide:sc= -0.0394 X(o=-0.039,f=-0.32) USER MOD Single : A 62 LYS NZ :NH3+ -111:sc= 1.11 (180deg=-0.0683) USER MOD Single : A 68 GLN : amide:sc= 0.178 X(o=0.18,f=-0.27) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -0.173 X(o=-0.17,f=0) USER MOD Single : A 76 ASN : amide:sc= 0.13 X(o=0.13,f=-0.0053) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 150:sc= 0.0327 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot 156:sc= 1.27 USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= -0.513 X(o=-0.51,f=-0.24) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot -69:sc= 0.293 USER MOD Single : A 119 ASN :FLIP amide:sc= -0.03 F(o=-1.8!,f=-0.03) USER MOD Single : A 120 HIS : no HD1:sc= -0.448 X(o=-0.45,f=-0.66) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 HIS : no HE2:sc= 0.525 K(o=0.52,f=-4.9!) USER MOD Single : A 128 ASN :FLIP amide:sc= 0 F(o=-0.57,f=0) USER MOD Single : A 135 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 144 SER OG : rot 180:sc= 0 USER MOD Single : A 148 LYS NZ :NH3+ -177:sc= 0.668 (180deg=0.66) USER MOD Single : A 150 SER OG : rot -46:sc= 0.247 USER MOD Single : A 151 LYS NZ :NH3+ 152:sc= -0.093 (180deg=-1.18) USER MOD ----------------------------------------------------------------- ATOM 33 N LYS A 4 -4.417 -17.451 -2.027 1.00 3.40 N ATOM 34 CA LYS A 4 -3.319 -16.798 -1.318 1.00 32.44 C ATOM 35 C LYS A 4 -2.402 -16.063 -2.285 1.00 23.23 C ATOM 36 O LYS A 4 -1.505 -16.668 -2.870 1.00 64.04 O ATOM 37 CB LYS A 4 -2.595 -17.754 -0.348 1.00 40.21 C ATOM 38 CG LYS A 4 -1.703 -18.902 -0.845 1.00 31.42 C ATOM 39 CD LYS A 4 -2.321 -19.943 -1.791 1.00 11.53 C ATOM 40 CE LYS A 4 -2.217 -19.593 -3.278 1.00 23.13 C ATOM 41 NZ LYS A 4 -0.850 -19.228 -3.701 1.00 31.34 N ATOM 0 HA LYS A 4 -3.741 -16.029 -0.671 1.00 32.44 H new ATOM 0 HB2 LYS A 4 -1.976 -17.134 0.300 1.00 40.21 H new ATOM 0 HB3 LYS A 4 -3.363 -18.204 0.281 1.00 40.21 H new ATOM 0 HG2 LYS A 4 -0.844 -18.461 -1.350 1.00 31.42 H new ATOM 0 HG3 LYS A 4 -1.322 -19.431 0.029 1.00 31.42 H new ATOM 0 HD2 LYS A 4 -1.833 -20.903 -1.622 1.00 11.53 H new ATOM 0 HD3 LYS A 4 -3.373 -20.070 -1.534 1.00 11.53 H new ATOM 0 HE2 LYS A 4 -2.557 -20.444 -3.868 1.00 23.13 H new ATOM 0 HE3 LYS A 4 -2.890 -18.764 -3.496 1.00 23.13 H new ATOM 0 HZ1 LYS A 4 -0.735 -19.429 -4.715 1.00 31.34 H new ATOM 0 HZ2 LYS A 4 -0.692 -18.215 -3.529 1.00 31.34 H new ATOM 0 HZ3 LYS A 4 -0.159 -19.783 -3.158 1.00 31.34 H new ATOM 51 N LYS A 5 -2.664 -14.781 -2.545 1.00 51.53 N ATOM 52 CA LYS A 5 -1.832 -13.955 -3.417 1.00 23.03 C ATOM 53 C LYS A 5 -1.551 -12.616 -2.788 1.00 31.02 C ATOM 54 O LYS A 5 -2.371 -12.090 -2.035 1.00 53.41 O ATOM 55 CB LYS A 5 -2.544 -13.719 -4.747 1.00 20.20 C ATOM 56 CG LYS A 5 -2.585 -14.994 -5.569 1.00 32.42 C ATOM 57 CD LYS A 5 -1.289 -15.270 -6.328 1.00 62.01 C ATOM 58 CE LYS A 5 -1.154 -14.404 -7.581 1.00 42.22 C ATOM 59 NZ LYS A 5 0.043 -14.781 -8.357 1.00 23.42 N ATOM 0 H LYS A 5 -3.465 -14.285 -2.153 1.00 51.53 H new ATOM 0 HA LYS A 5 -0.893 -14.484 -3.576 1.00 23.03 H new ATOM 0 HB2 LYS A 5 -3.559 -13.366 -4.564 1.00 20.20 H new ATOM 0 HB3 LYS A 5 -2.030 -12.937 -5.306 1.00 20.20 H new ATOM 0 HG2 LYS A 5 -2.797 -15.836 -4.910 1.00 32.42 H new ATOM 0 HG3 LYS A 5 -3.408 -14.932 -6.281 1.00 32.42 H new ATOM 0 HD2 LYS A 5 -0.439 -15.088 -5.670 1.00 62.01 H new ATOM 0 HD3 LYS A 5 -1.253 -16.322 -6.611 1.00 62.01 H new ATOM 0 HE2 LYS A 5 -2.044 -14.514 -8.201 1.00 42.22 H new ATOM 0 HE3 LYS A 5 -1.092 -13.354 -7.297 1.00 42.22 H new ATOM 0 HZ1 LYS A 5 0.103 -14.191 -9.211 1.00 23.42 H new ATOM 0 HZ2 LYS A 5 0.893 -14.637 -7.776 1.00 23.42 H new ATOM 0 HZ3 LYS A 5 -0.023 -15.782 -8.632 1.00 23.42 H new ATOM 69 N THR A 6 -0.449 -12.034 -3.239 1.00 52.44 N ATOM 70 CA THR A 6 0.194 -10.943 -2.521 1.00 43.22 C ATOM 71 C THR A 6 0.683 -9.857 -3.483 1.00 53.23 C ATOM 72 O THR A 6 1.729 -9.991 -4.111 1.00 11.22 O ATOM 73 CB THR A 6 1.269 -11.511 -1.574 1.00 61.31 C ATOM 74 OG1 THR A 6 0.652 -12.485 -0.756 1.00 44.25 O ATOM 75 CG2 THR A 6 1.846 -10.401 -0.692 1.00 43.53 C ATOM 0 H THR A 6 0.021 -12.301 -4.104 1.00 52.44 H new ATOM 0 HA THR A 6 -0.528 -10.430 -1.885 1.00 43.22 H new ATOM 0 HB THR A 6 2.082 -11.946 -2.155 1.00 61.31 H new ATOM 0 HG1 THR A 6 1.315 -12.865 -0.143 1.00 44.25 H new ATOM 0 HG21 THR A 6 2.604 -10.820 -0.029 1.00 43.53 H new ATOM 0 HG22 THR A 6 2.298 -9.634 -1.321 1.00 43.53 H new ATOM 0 HG23 THR A 6 1.048 -9.958 -0.096 1.00 43.53 H new ATOM 83 N LEU A 7 -0.102 -8.794 -3.666 1.00 55.13 N ATOM 84 CA LEU A 7 0.216 -7.721 -4.624 1.00 63.21 C ATOM 85 C LEU A 7 0.882 -6.520 -3.939 1.00 73.11 C ATOM 86 O LEU A 7 0.511 -6.207 -2.813 1.00 43.25 O ATOM 87 CB LEU A 7 -1.100 -7.288 -5.263 1.00 71.33 C ATOM 88 CG LEU A 7 -0.943 -6.250 -6.380 1.00 61.41 C ATOM 89 CD1 LEU A 7 0.021 -6.653 -7.507 1.00 32.22 C ATOM 90 CD2 LEU A 7 -2.315 -6.011 -7.000 1.00 43.24 C ATOM 0 H LEU A 7 -0.975 -8.648 -3.159 1.00 55.13 H new ATOM 0 HA LEU A 7 0.922 -8.091 -5.367 1.00 63.21 H new ATOM 0 HB2 LEU A 7 -1.602 -8.167 -5.667 1.00 71.33 H new ATOM 0 HB3 LEU A 7 -1.749 -6.878 -4.489 1.00 71.33 H new ATOM 0 HG LEU A 7 -0.517 -5.362 -5.913 1.00 61.41 H new ATOM 0 HD11 LEU A 7 0.066 -5.856 -8.250 1.00 32.22 H new ATOM 0 HD12 LEU A 7 1.015 -6.820 -7.093 1.00 32.22 H new ATOM 0 HD13 LEU A 7 -0.334 -7.569 -7.979 1.00 32.22 H new ATOM 0 HD21 LEU A 7 -2.230 -5.275 -7.799 1.00 43.24 H new ATOM 0 HD22 LEU A 7 -2.698 -6.946 -7.408 1.00 43.24 H new ATOM 0 HD23 LEU A 7 -3.000 -5.641 -6.237 1.00 43.24 H new ATOM 101 N ILE A 8 1.828 -5.835 -4.587 1.00 22.11 N ATOM 102 CA ILE A 8 2.672 -4.797 -3.984 1.00 23.42 C ATOM 103 C ILE A 8 2.568 -3.518 -4.840 1.00 14.40 C ATOM 104 O ILE A 8 2.966 -3.543 -6.010 1.00 12.52 O ATOM 105 CB ILE A 8 4.127 -5.332 -3.880 1.00 0.24 C ATOM 106 CG1 ILE A 8 4.260 -6.654 -3.078 1.00 14.54 C ATOM 107 CG2 ILE A 8 5.018 -4.273 -3.220 1.00 60.43 C ATOM 108 CD1 ILE A 8 5.566 -7.414 -3.343 1.00 15.20 C ATOM 0 H ILE A 8 2.035 -5.991 -5.574 1.00 22.11 H new ATOM 0 HA ILE A 8 2.342 -4.547 -2.976 1.00 23.42 H new ATOM 0 HB ILE A 8 4.440 -5.545 -4.902 1.00 0.24 H new ATOM 0 HG12 ILE A 8 4.191 -6.430 -2.013 1.00 14.54 H new ATOM 0 HG13 ILE A 8 3.418 -7.302 -3.322 1.00 14.54 H new ATOM 0 HG21 ILE A 8 6.038 -4.650 -3.148 1.00 60.43 H new ATOM 0 HG22 ILE A 8 5.009 -3.364 -3.821 1.00 60.43 H new ATOM 0 HG23 ILE A 8 4.641 -4.052 -2.221 1.00 60.43 H new ATOM 0 HD11 ILE A 8 5.584 -8.326 -2.746 1.00 15.20 H new ATOM 0 HD12 ILE A 8 5.629 -7.671 -4.400 1.00 15.20 H new ATOM 0 HD13 ILE A 8 6.414 -6.786 -3.071 1.00 15.20 H new ATOM 119 N LEU A 9 2.008 -2.419 -4.303 1.00 44.24 N ATOM 120 CA LEU A 9 1.661 -1.191 -5.047 1.00 31.22 C ATOM 121 C LEU A 9 2.320 0.031 -4.389 1.00 35.31 C ATOM 122 O LEU A 9 1.787 0.556 -3.410 1.00 24.44 O ATOM 123 CB LEU A 9 0.131 -0.949 -5.099 1.00 1.11 C ATOM 124 CG LEU A 9 -0.817 -2.065 -5.566 1.00 64.14 C ATOM 125 CD1 LEU A 9 -0.374 -2.738 -6.860 1.00 1.44 C ATOM 126 CD2 LEU A 9 -1.078 -3.102 -4.482 1.00 3.43 C ATOM 0 H LEU A 9 1.777 -2.357 -3.311 1.00 44.24 H new ATOM 0 HA LEU A 9 2.027 -1.327 -6.065 1.00 31.22 H new ATOM 0 HB2 LEU A 9 -0.183 -0.657 -4.097 1.00 1.11 H new ATOM 0 HB3 LEU A 9 -0.038 -0.090 -5.749 1.00 1.11 H new ATOM 0 HG LEU A 9 -1.758 -1.558 -5.779 1.00 64.14 H new ATOM 0 HD11 LEU A 9 -1.090 -3.515 -7.130 1.00 1.44 H new ATOM 0 HD12 LEU A 9 -0.326 -1.997 -7.658 1.00 1.44 H new ATOM 0 HD13 LEU A 9 0.610 -3.184 -6.719 1.00 1.44 H new ATOM 0 HD21 LEU A 9 -1.754 -3.867 -4.865 1.00 3.43 H new ATOM 0 HD22 LEU A 9 -0.136 -3.565 -4.187 1.00 3.43 H new ATOM 0 HD23 LEU A 9 -1.531 -2.618 -3.617 1.00 3.43 H new ATOM 137 N TYR A 10 3.481 0.502 -4.863 1.00 63.15 N ATOM 138 CA TYR A 10 4.245 1.555 -4.173 1.00 43.45 C ATOM 139 C TYR A 10 4.413 2.767 -5.099 1.00 31.02 C ATOM 140 O TYR A 10 4.422 2.623 -6.326 1.00 52.55 O ATOM 141 CB TYR A 10 5.613 1.024 -3.687 1.00 60.34 C ATOM 142 CG TYR A 10 5.672 -0.154 -2.720 1.00 53.31 C ATOM 143 CD1 TYR A 10 4.548 -0.590 -1.997 1.00 0.23 C ATOM 144 CD2 TYR A 10 6.910 -0.779 -2.471 1.00 52.12 C ATOM 145 CE1 TYR A 10 4.644 -1.607 -1.039 1.00 24.01 C ATOM 146 CE2 TYR A 10 7.013 -1.819 -1.527 1.00 61.33 C ATOM 147 CZ TYR A 10 5.878 -2.228 -0.794 1.00 51.44 C ATOM 148 OH TYR A 10 5.936 -3.235 0.114 1.00 61.12 O ATOM 0 H TYR A 10 3.915 0.170 -5.725 1.00 63.15 H new ATOM 0 HA TYR A 10 3.690 1.869 -3.289 1.00 43.45 H new ATOM 0 HB2 TYR A 10 6.186 0.747 -4.572 1.00 60.34 H new ATOM 0 HB3 TYR A 10 6.136 1.857 -3.216 1.00 60.34 H new ATOM 0 HD1 TYR A 10 3.589 -0.130 -2.185 1.00 0.23 H new ATOM 0 HD2 TYR A 10 7.789 -0.457 -3.010 1.00 52.12 H new ATOM 0 HE1 TYR A 10 3.767 -1.914 -0.488 1.00 24.01 H new ATOM 0 HE2 TYR A 10 7.963 -2.305 -1.363 1.00 61.33 H new ATOM 0 HH TYR A 10 6.856 -3.568 0.175 1.00 61.12 H new ATOM 157 N TYR A 11 4.594 3.962 -4.529 1.00 73.35 N ATOM 158 CA TYR A 11 4.994 5.174 -5.245 1.00 13.52 C ATOM 159 C TYR A 11 6.501 5.391 -5.054 1.00 35.34 C ATOM 160 O TYR A 11 6.973 5.576 -3.926 1.00 44.42 O ATOM 161 CB TYR A 11 4.201 6.402 -4.760 1.00 21.23 C ATOM 162 CG TYR A 11 4.763 7.707 -5.333 1.00 20.20 C ATOM 163 CD1 TYR A 11 4.888 7.913 -6.722 1.00 40.04 C ATOM 164 CD2 TYR A 11 5.214 8.714 -4.466 1.00 64.52 C ATOM 165 CE1 TYR A 11 5.467 9.093 -7.234 1.00 72.54 C ATOM 166 CE2 TYR A 11 5.812 9.886 -4.959 1.00 63.52 C ATOM 167 CZ TYR A 11 5.951 10.080 -6.347 1.00 24.22 C ATOM 168 OH TYR A 11 6.518 11.234 -6.787 1.00 74.15 O ATOM 0 H TYR A 11 4.462 4.116 -3.529 1.00 73.35 H new ATOM 0 HA TYR A 11 4.773 5.048 -6.305 1.00 13.52 H new ATOM 0 HB2 TYR A 11 3.156 6.298 -5.052 1.00 21.23 H new ATOM 0 HB3 TYR A 11 4.226 6.443 -3.671 1.00 21.23 H new ATOM 0 HD1 TYR A 11 4.535 7.155 -7.405 1.00 40.04 H new ATOM 0 HD2 TYR A 11 5.099 8.586 -3.400 1.00 64.52 H new ATOM 0 HE1 TYR A 11 5.540 9.241 -8.301 1.00 72.54 H new ATOM 0 HE2 TYR A 11 6.166 10.640 -4.272 1.00 63.52 H new ATOM 0 HH TYR A 11 6.785 11.781 -6.019 1.00 74.15 H new ATOM 177 N SER A 12 7.267 5.337 -6.137 1.00 75.35 N ATOM 178 CA SER A 12 8.674 5.703 -6.194 1.00 60.22 C ATOM 179 C SER A 12 8.801 7.223 -6.067 1.00 1.54 C ATOM 180 O SER A 12 8.437 7.914 -7.019 1.00 3.50 O ATOM 181 CB SER A 12 9.238 5.181 -7.520 1.00 55.12 C ATOM 182 OG SER A 12 8.400 5.588 -8.592 1.00 32.12 O ATOM 0 H SER A 12 6.907 5.023 -7.038 1.00 75.35 H new ATOM 0 HA SER A 12 9.242 5.261 -5.376 1.00 60.22 H new ATOM 0 HB2 SER A 12 10.248 5.562 -7.671 1.00 55.12 H new ATOM 0 HB3 SER A 12 9.308 4.094 -7.493 1.00 55.12 H new ATOM 0 HG SER A 12 8.163 6.532 -8.481 1.00 32.12 H new ATOM 187 N TRP A 13 9.313 7.751 -4.947 1.00 61.22 N ATOM 188 CA TRP A 13 9.434 9.201 -4.746 1.00 12.03 C ATOM 189 C TRP A 13 10.303 9.823 -5.843 1.00 64.12 C ATOM 190 O TRP A 13 9.844 10.666 -6.612 1.00 43.44 O ATOM 191 CB TRP A 13 9.968 9.525 -3.342 1.00 4.11 C ATOM 192 CG TRP A 13 10.021 10.996 -3.033 1.00 33.13 C ATOM 193 CD1 TRP A 13 8.973 11.750 -2.635 1.00 72.32 C ATOM 194 CD2 TRP A 13 11.143 11.929 -3.136 1.00 44.12 C ATOM 195 NE1 TRP A 13 9.363 13.055 -2.447 1.00 71.41 N ATOM 196 CE2 TRP A 13 10.683 13.237 -2.787 1.00 14.22 C ATOM 197 CE3 TRP A 13 12.502 11.809 -3.494 1.00 24.51 C ATOM 198 CZ2 TRP A 13 11.512 14.365 -2.819 1.00 43.42 C ATOM 199 CZ3 TRP A 13 13.351 12.933 -3.507 1.00 23.24 C ATOM 200 CH2 TRP A 13 12.855 14.210 -3.187 1.00 60.25 C ATOM 0 H TRP A 13 9.651 7.193 -4.163 1.00 61.22 H new ATOM 0 HA TRP A 13 8.440 9.643 -4.818 1.00 12.03 H new ATOM 0 HB2 TRP A 13 9.338 9.031 -2.602 1.00 4.11 H new ATOM 0 HB3 TRP A 13 10.969 9.106 -3.239 1.00 4.11 H new ATOM 0 HD1 TRP A 13 7.970 11.380 -2.485 1.00 72.32 H new ATOM 0 HE1 TRP A 13 8.751 13.794 -2.100 1.00 71.41 H new ATOM 0 HE3 TRP A 13 12.898 10.841 -3.762 1.00 24.51 H new ATOM 0 HZ2 TRP A 13 11.122 15.339 -2.564 1.00 43.42 H new ATOM 0 HZ3 TRP A 13 14.393 12.813 -3.765 1.00 23.24 H new ATOM 0 HH2 TRP A 13 13.508 15.069 -3.225 1.00 60.25 H new ATOM 210 N SER A 14 11.545 9.358 -5.958 1.00 34.52 N ATOM 211 CA SER A 14 12.426 9.638 -7.079 1.00 0.43 C ATOM 212 C SER A 14 13.371 8.441 -7.188 1.00 34.43 C ATOM 213 O SER A 14 14.512 8.480 -6.731 1.00 53.15 O ATOM 214 CB SER A 14 13.109 11.001 -6.874 1.00 14.32 C ATOM 215 OG SER A 14 13.712 11.449 -8.070 1.00 60.42 O ATOM 0 H SER A 14 11.974 8.760 -5.252 1.00 34.52 H new ATOM 0 HA SER A 14 11.905 9.740 -8.031 1.00 0.43 H new ATOM 0 HB2 SER A 14 12.375 11.733 -6.536 1.00 14.32 H new ATOM 0 HB3 SER A 14 13.862 10.920 -6.091 1.00 14.32 H new ATOM 0 HG SER A 14 14.138 12.318 -7.916 1.00 60.42 H new ATOM 220 N GLY A 15 12.830 7.308 -7.652 1.00 31.02 N ATOM 221 CA GLY A 15 13.539 6.050 -7.896 1.00 15.22 C ATOM 222 C GLY A 15 13.929 5.276 -6.641 1.00 61.44 C ATOM 223 O GLY A 15 14.214 4.083 -6.708 1.00 35.21 O ATOM 0 H GLY A 15 11.837 7.242 -7.878 1.00 31.02 H new ATOM 0 HA2 GLY A 15 12.912 5.412 -8.518 1.00 15.22 H new ATOM 0 HA3 GLY A 15 14.442 6.264 -8.468 1.00 15.22 H new ATOM 227 N GLU A 16 13.924 5.932 -5.490 1.00 23.11 N ATOM 228 CA GLU A 16 14.423 5.404 -4.234 1.00 51.42 C ATOM 229 C GLU A 16 13.569 4.225 -3.768 1.00 63.34 C ATOM 230 O GLU A 16 14.053 3.100 -3.637 1.00 64.43 O ATOM 231 CB GLU A 16 14.424 6.546 -3.215 1.00 12.00 C ATOM 232 CG GLU A 16 15.326 7.719 -3.643 1.00 13.10 C ATOM 233 CD GLU A 16 16.129 8.250 -2.461 1.00 74.41 C ATOM 234 OE1 GLU A 16 17.216 7.695 -2.176 1.00 24.14 O ATOM 235 OE2 GLU A 16 15.637 9.149 -1.742 1.00 3.41 O ATOM 0 H GLU A 16 13.559 6.881 -5.405 1.00 23.11 H new ATOM 0 HA GLU A 16 15.437 5.023 -4.352 1.00 51.42 H new ATOM 0 HB2 GLU A 16 13.405 6.907 -3.078 1.00 12.00 H new ATOM 0 HB3 GLU A 16 14.760 6.167 -2.250 1.00 12.00 H new ATOM 0 HG2 GLU A 16 16.005 7.392 -4.431 1.00 13.10 H new ATOM 0 HG3 GLU A 16 14.715 8.519 -4.061 1.00 13.10 H new ATOM 240 N THR A 17 12.266 4.462 -3.607 1.00 71.21 N ATOM 241 CA THR A 17 11.298 3.518 -3.059 1.00 12.12 C ATOM 242 C THR A 17 11.174 2.237 -3.908 1.00 54.21 C ATOM 243 O THR A 17 10.526 1.289 -3.484 1.00 71.44 O ATOM 244 CB THR A 17 9.935 4.237 -2.922 1.00 23.42 C ATOM 245 OG1 THR A 17 10.067 5.654 -2.819 1.00 15.34 O ATOM 246 CG2 THR A 17 9.059 3.721 -1.773 1.00 33.23 C ATOM 0 H THR A 17 11.842 5.353 -3.866 1.00 71.21 H new ATOM 0 HA THR A 17 11.646 3.190 -2.080 1.00 12.12 H new ATOM 0 HB THR A 17 9.423 3.993 -3.853 1.00 23.42 H new ATOM 0 HG1 THR A 17 9.202 6.046 -2.578 1.00 15.34 H new ATOM 0 HG21 THR A 17 8.123 4.280 -1.750 1.00 33.23 H new ATOM 0 HG22 THR A 17 8.846 2.663 -1.925 1.00 33.23 H new ATOM 0 HG23 THR A 17 9.584 3.853 -0.827 1.00 33.23 H new ATOM 254 N LYS A 18 11.783 2.178 -5.101 1.00 13.14 N ATOM 255 CA LYS A 18 11.887 0.961 -5.901 1.00 12.14 C ATOM 256 C LYS A 18 12.806 -0.064 -5.235 1.00 3.44 C ATOM 257 O LYS A 18 12.500 -1.253 -5.279 1.00 51.33 O ATOM 258 CB LYS A 18 12.394 1.341 -7.300 1.00 55.13 C ATOM 259 CG LYS A 18 12.633 0.127 -8.211 1.00 73.02 C ATOM 260 CD LYS A 18 13.145 0.560 -9.586 1.00 31.40 C ATOM 261 CE LYS A 18 14.588 1.080 -9.510 1.00 32.11 C ATOM 262 NZ LYS A 18 15.016 1.619 -10.812 1.00 15.23 N ATOM 0 H LYS A 18 12.221 2.988 -5.539 1.00 13.14 H new ATOM 0 HA LYS A 18 10.906 0.493 -5.984 1.00 12.14 H new ATOM 0 HB2 LYS A 18 11.670 2.005 -7.773 1.00 55.13 H new ATOM 0 HB3 LYS A 18 13.324 1.901 -7.202 1.00 55.13 H new ATOM 0 HG2 LYS A 18 13.355 -0.544 -7.746 1.00 73.02 H new ATOM 0 HG3 LYS A 18 11.705 -0.434 -8.325 1.00 73.02 H new ATOM 0 HD2 LYS A 18 13.096 -0.283 -10.276 1.00 31.40 H new ATOM 0 HD3 LYS A 18 12.497 1.339 -9.988 1.00 31.40 H new ATOM 0 HE2 LYS A 18 14.661 1.856 -8.748 1.00 32.11 H new ATOM 0 HE3 LYS A 18 15.255 0.273 -9.208 1.00 32.11 H new ATOM 0 HZ1 LYS A 18 15.994 1.965 -10.740 1.00 15.23 H new ATOM 0 HZ2 LYS A 18 14.966 0.869 -11.531 1.00 15.23 H new ATOM 0 HZ3 LYS A 18 14.390 2.403 -11.086 1.00 15.23 H new ATOM 272 N LYS A 19 13.940 0.352 -4.657 1.00 35.30 N ATOM 273 CA LYS A 19 14.867 -0.593 -4.026 1.00 13.10 C ATOM 274 C LYS A 19 14.165 -1.294 -2.871 1.00 42.14 C ATOM 275 O LYS A 19 14.167 -2.526 -2.811 1.00 40.51 O ATOM 276 CB LYS A 19 16.161 0.112 -3.585 1.00 24.21 C ATOM 277 CG LYS A 19 17.219 0.216 -4.700 1.00 0.31 C ATOM 278 CD LYS A 19 17.947 -1.116 -4.970 1.00 3.22 C ATOM 279 CE LYS A 19 17.348 -1.919 -6.135 1.00 43.51 C ATOM 280 NZ LYS A 19 17.797 -3.324 -6.130 1.00 20.23 N ATOM 0 H LYS A 19 14.235 1.327 -4.614 1.00 35.30 H new ATOM 0 HA LYS A 19 15.164 -1.351 -4.751 1.00 13.10 H new ATOM 0 HB2 LYS A 19 15.917 1.114 -3.233 1.00 24.21 H new ATOM 0 HB3 LYS A 19 16.588 -0.427 -2.740 1.00 24.21 H new ATOM 0 HG2 LYS A 19 16.738 0.553 -5.618 1.00 0.31 H new ATOM 0 HG3 LYS A 19 17.952 0.975 -4.427 1.00 0.31 H new ATOM 0 HD2 LYS A 19 18.996 -0.910 -5.183 1.00 3.22 H new ATOM 0 HD3 LYS A 19 17.918 -1.726 -4.067 1.00 3.22 H new ATOM 0 HE2 LYS A 19 16.260 -1.886 -6.075 1.00 43.51 H new ATOM 0 HE3 LYS A 19 17.630 -1.452 -7.079 1.00 43.51 H new ATOM 0 HZ1 LYS A 19 17.555 -3.769 -7.038 1.00 20.23 H new ATOM 0 HZ2 LYS A 19 18.827 -3.359 -5.991 1.00 20.23 H new ATOM 0 HZ3 LYS A 19 17.326 -3.836 -5.357 1.00 20.23 H new ATOM 290 N MET A 20 13.479 -0.532 -2.019 1.00 12.32 N ATOM 291 CA MET A 20 12.546 -1.085 -1.047 1.00 11.50 C ATOM 292 C MET A 20 11.226 -1.412 -1.755 1.00 73.31 C ATOM 293 O MET A 20 10.165 -0.897 -1.412 1.00 0.30 O ATOM 294 CB MET A 20 12.406 -0.120 0.143 1.00 14.13 C ATOM 295 CG MET A 20 12.138 -0.884 1.447 1.00 1.10 C ATOM 296 SD MET A 20 13.463 -2.002 1.986 1.00 62.45 S ATOM 297 CE MET A 20 14.728 -0.766 2.363 1.00 0.53 C ATOM 0 H MET A 20 13.557 0.484 -1.986 1.00 12.32 H new ATOM 0 HA MET A 20 12.913 -2.021 -0.627 1.00 11.50 H new ATOM 0 HB2 MET A 20 13.316 0.471 0.245 1.00 14.13 H new ATOM 0 HB3 MET A 20 11.592 0.579 -0.046 1.00 14.13 H new ATOM 0 HG2 MET A 20 11.953 -0.160 2.240 1.00 1.10 H new ATOM 0 HG3 MET A 20 11.224 -1.465 1.326 1.00 1.10 H new ATOM 0 HE1 MET A 20 15.528 -1.229 2.940 1.00 0.53 H new ATOM 0 HE2 MET A 20 15.135 -0.367 1.434 1.00 0.53 H new ATOM 0 HE3 MET A 20 14.284 0.044 2.942 1.00 0.53 H new ATOM 305 N ALA A 21 11.321 -2.308 -2.736 1.00 52.31 N ATOM 306 CA ALA A 21 10.209 -3.031 -3.333 1.00 41.12 C ATOM 307 C ALA A 21 10.713 -4.378 -3.852 1.00 55.55 C ATOM 308 O ALA A 21 10.266 -5.437 -3.404 1.00 72.13 O ATOM 309 CB ALA A 21 9.561 -2.188 -4.444 1.00 0.20 C ATOM 0 H ALA A 21 12.218 -2.558 -3.152 1.00 52.31 H new ATOM 0 HA ALA A 21 9.438 -3.219 -2.586 1.00 41.12 H new ATOM 0 HB1 ALA A 21 8.730 -2.741 -4.882 1.00 0.20 H new ATOM 0 HB2 ALA A 21 9.192 -1.253 -4.023 1.00 0.20 H new ATOM 0 HB3 ALA A 21 10.300 -1.972 -5.215 1.00 0.20 H new ATOM 315 N GLU A 22 11.662 -4.350 -4.794 1.00 23.23 N ATOM 316 CA GLU A 22 12.149 -5.552 -5.478 1.00 64.44 C ATOM 317 C GLU A 22 12.874 -6.525 -4.542 1.00 71.14 C ATOM 318 O GLU A 22 12.839 -7.735 -4.798 1.00 32.03 O ATOM 319 CB GLU A 22 13.022 -5.198 -6.692 1.00 0.41 C ATOM 320 CG GLU A 22 14.015 -4.050 -6.485 1.00 4.23 C ATOM 321 CD GLU A 22 15.155 -4.076 -7.506 1.00 4.52 C ATOM 322 OE1 GLU A 22 15.997 -5.001 -7.428 1.00 3.42 O ATOM 323 OE2 GLU A 22 15.320 -3.112 -8.288 1.00 72.14 O ATOM 0 H GLU A 22 12.115 -3.490 -5.104 1.00 23.23 H new ATOM 0 HA GLU A 22 11.261 -6.072 -5.838 1.00 64.44 H new ATOM 0 HB2 GLU A 22 13.579 -6.087 -6.987 1.00 0.41 H new ATOM 0 HB3 GLU A 22 12.367 -4.942 -7.525 1.00 0.41 H new ATOM 0 HG2 GLU A 22 13.487 -3.099 -6.557 1.00 4.23 H new ATOM 0 HG3 GLU A 22 14.430 -4.109 -5.479 1.00 4.23 H new ATOM 328 N LYS A 23 13.461 -6.034 -3.438 1.00 74.22 N ATOM 329 CA LYS A 23 13.930 -6.880 -2.337 1.00 53.24 C ATOM 330 C LYS A 23 12.774 -7.768 -1.883 1.00 71.23 C ATOM 331 O LYS A 23 12.783 -8.968 -2.151 1.00 62.05 O ATOM 332 CB LYS A 23 14.541 -6.018 -1.204 1.00 74.34 C ATOM 333 CG LYS A 23 14.673 -6.687 0.184 1.00 22.04 C ATOM 334 CD LYS A 23 15.481 -7.996 0.245 1.00 33.42 C ATOM 335 CE LYS A 23 15.415 -8.559 1.677 1.00 0.34 C ATOM 336 NZ LYS A 23 16.289 -9.738 1.876 1.00 72.02 N ATOM 0 H LYS A 23 13.622 -5.038 -3.287 1.00 74.22 H new ATOM 0 HA LYS A 23 14.738 -7.533 -2.665 1.00 53.24 H new ATOM 0 HB2 LYS A 23 15.532 -5.693 -1.521 1.00 74.34 H new ATOM 0 HB3 LYS A 23 13.932 -5.121 -1.093 1.00 74.34 H new ATOM 0 HG2 LYS A 23 15.133 -5.971 0.865 1.00 22.04 H new ATOM 0 HG3 LYS A 23 13.671 -6.888 0.562 1.00 22.04 H new ATOM 0 HD2 LYS A 23 15.079 -8.720 -0.463 1.00 33.42 H new ATOM 0 HD3 LYS A 23 16.517 -7.813 -0.040 1.00 33.42 H new ATOM 0 HE2 LYS A 23 15.701 -7.778 2.382 1.00 0.34 H new ATOM 0 HE3 LYS A 23 14.385 -8.834 1.906 1.00 0.34 H new ATOM 0 HZ1 LYS A 23 16.444 -9.887 2.893 1.00 72.02 H new ATOM 0 HZ2 LYS A 23 15.835 -10.580 1.468 1.00 72.02 H new ATOM 0 HZ3 LYS A 23 17.203 -9.576 1.406 1.00 72.02 H new ATOM 346 N ILE A 24 11.780 -7.184 -1.217 1.00 71.23 N ATOM 347 CA ILE A 24 10.740 -7.926 -0.519 1.00 0.53 C ATOM 348 C ILE A 24 9.935 -8.783 -1.506 1.00 60.04 C ATOM 349 O ILE A 24 9.566 -9.891 -1.138 1.00 64.41 O ATOM 350 CB ILE A 24 9.868 -6.927 0.279 1.00 11.21 C ATOM 351 CG1 ILE A 24 10.660 -6.212 1.401 1.00 31.44 C ATOM 352 CG2 ILE A 24 8.614 -7.606 0.856 1.00 15.13 C ATOM 353 CD1 ILE A 24 9.815 -5.200 2.197 1.00 4.31 C ATOM 0 H ILE A 24 11.676 -6.172 -1.148 1.00 71.23 H new ATOM 0 HA ILE A 24 11.178 -8.626 0.193 1.00 0.53 H new ATOM 0 HB ILE A 24 9.551 -6.165 -0.433 1.00 11.21 H new ATOM 0 HG12 ILE A 24 11.059 -6.959 2.087 1.00 31.44 H new ATOM 0 HG13 ILE A 24 11.513 -5.695 0.961 1.00 31.44 H new ATOM 0 HG21 ILE A 24 8.026 -6.874 1.410 1.00 15.13 H new ATOM 0 HG22 ILE A 24 8.014 -8.013 0.042 1.00 15.13 H new ATOM 0 HG23 ILE A 24 8.913 -8.413 1.525 1.00 15.13 H new ATOM 0 HD11 ILE A 24 10.432 -4.736 2.966 1.00 4.31 H new ATOM 0 HD12 ILE A 24 9.437 -4.431 1.523 1.00 4.31 H new ATOM 0 HD13 ILE A 24 8.977 -5.715 2.666 1.00 4.31 H new ATOM 364 N ASN A 25 9.684 -8.337 -2.747 1.00 31.30 N ATOM 365 CA ASN A 25 8.958 -9.153 -3.733 1.00 32.41 C ATOM 366 C ASN A 25 9.624 -10.519 -3.958 1.00 21.34 C ATOM 367 O ASN A 25 8.918 -11.509 -4.129 1.00 32.04 O ATOM 368 CB ASN A 25 8.783 -8.392 -5.054 1.00 71.01 C ATOM 369 CG ASN A 25 8.262 -9.262 -6.203 1.00 13.42 C ATOM 370 OD1 ASN A 25 8.803 -9.237 -7.300 1.00 12.33 O ATOM 371 ND2 ASN A 25 7.198 -10.028 -6.036 1.00 53.15 N ATOM 0 H ASN A 25 9.971 -7.421 -3.090 1.00 31.30 H new ATOM 0 HA ASN A 25 7.968 -9.350 -3.322 1.00 32.41 H new ATOM 0 HB2 ASN A 25 8.093 -7.563 -4.897 1.00 71.01 H new ATOM 0 HB3 ASN A 25 9.741 -7.959 -5.343 1.00 71.01 H new ATOM 0 HD21 ASN A 25 6.843 -10.584 -6.814 1.00 53.15 H new ATOM 0 HD22 ASN A 25 6.732 -10.063 -5.129 1.00 53.15 H new ATOM 377 N SER A 26 10.957 -10.604 -3.892 1.00 61.01 N ATOM 378 CA SER A 26 11.662 -11.880 -3.968 1.00 13.24 C ATOM 379 C SER A 26 11.199 -12.819 -2.843 1.00 15.31 C ATOM 380 O SER A 26 10.935 -14.005 -3.048 1.00 14.44 O ATOM 381 CB SER A 26 13.172 -11.635 -3.836 1.00 73.04 C ATOM 382 OG SER A 26 13.652 -10.598 -4.682 1.00 72.25 O ATOM 0 H SER A 26 11.570 -9.795 -3.785 1.00 61.01 H new ATOM 0 HA SER A 26 11.442 -12.346 -4.928 1.00 13.24 H new ATOM 0 HB2 SER A 26 13.403 -11.385 -2.800 1.00 73.04 H new ATOM 0 HB3 SER A 26 13.704 -12.558 -4.067 1.00 73.04 H new ATOM 0 HG SER A 26 13.432 -9.727 -4.290 1.00 72.25 H new ATOM 387 N GLU A 27 11.117 -12.261 -1.640 1.00 31.20 N ATOM 388 CA GLU A 27 11.025 -12.945 -0.361 1.00 63.23 C ATOM 389 C GLU A 27 9.571 -13.289 0.001 1.00 73.12 C ATOM 390 O GLU A 27 9.329 -13.770 1.110 1.00 61.21 O ATOM 391 CB GLU A 27 11.663 -12.037 0.716 1.00 51.52 C ATOM 392 CG GLU A 27 13.037 -11.420 0.380 1.00 71.32 C ATOM 393 CD GLU A 27 14.217 -12.367 0.152 1.00 1.50 C ATOM 394 OE1 GLU A 27 14.061 -13.514 -0.316 1.00 34.40 O ATOM 395 OE2 GLU A 27 15.365 -11.912 0.382 1.00 11.50 O ATOM 0 H GLU A 27 11.113 -11.247 -1.528 1.00 31.20 H new ATOM 0 HA GLU A 27 11.559 -13.893 -0.420 1.00 63.23 H new ATOM 0 HB2 GLU A 27 10.969 -11.224 0.930 1.00 51.52 H new ATOM 0 HB3 GLU A 27 11.766 -12.618 1.633 1.00 51.52 H new ATOM 0 HG2 GLU A 27 12.919 -10.813 -0.517 1.00 71.32 H new ATOM 0 HG3 GLU A 27 13.305 -10.742 1.191 1.00 71.32 H new ATOM 400 N ILE A 28 8.601 -13.042 -0.893 1.00 62.15 N ATOM 401 CA ILE A 28 7.188 -13.316 -0.652 1.00 61.45 C ATOM 402 C ILE A 28 6.632 -14.209 -1.759 1.00 32.10 C ATOM 403 O ILE A 28 6.805 -13.934 -2.950 1.00 42.25 O ATOM 404 CB ILE A 28 6.390 -12.010 -0.503 1.00 64.03 C ATOM 405 CG1 ILE A 28 6.895 -11.202 0.711 1.00 2.20 C ATOM 406 CG2 ILE A 28 4.899 -12.329 -0.316 1.00 23.12 C ATOM 407 CD1 ILE A 28 6.074 -9.937 0.963 1.00 31.43 C ATOM 0 H ILE A 28 8.785 -12.641 -1.813 1.00 62.15 H new ATOM 0 HA ILE A 28 7.087 -13.854 0.291 1.00 61.45 H new ATOM 0 HB ILE A 28 6.529 -11.416 -1.406 1.00 64.03 H new ATOM 0 HG12 ILE A 28 6.865 -11.833 1.600 1.00 2.20 H new ATOM 0 HG13 ILE A 28 7.938 -10.927 0.551 1.00 2.20 H new ATOM 0 HG21 ILE A 28 4.339 -11.400 -0.211 1.00 23.12 H new ATOM 0 HG22 ILE A 28 4.533 -12.878 -1.184 1.00 23.12 H new ATOM 0 HG23 ILE A 28 4.766 -12.936 0.580 1.00 23.12 H new ATOM 0 HD11 ILE A 28 6.475 -9.409 1.828 1.00 31.43 H new ATOM 0 HD12 ILE A 28 6.125 -9.290 0.088 1.00 31.43 H new ATOM 0 HD13 ILE A 28 5.036 -10.209 1.153 1.00 31.43 H new ATOM 418 N LYS A 29 5.907 -15.251 -1.355 1.00 34.40 N ATOM 419 CA LYS A 29 5.322 -16.274 -2.203 1.00 21.21 C ATOM 420 C LYS A 29 4.239 -15.707 -3.099 1.00 20.03 C ATOM 421 O LYS A 29 3.418 -14.895 -2.682 1.00 52.52 O ATOM 422 CB LYS A 29 4.799 -17.383 -1.282 1.00 75.23 C ATOM 423 CG LYS A 29 3.872 -18.468 -1.849 1.00 11.24 C ATOM 424 CD LYS A 29 4.565 -19.662 -2.520 1.00 51.12 C ATOM 425 CE LYS A 29 5.190 -19.278 -3.856 1.00 51.33 C ATOM 426 NZ LYS A 29 5.583 -20.447 -4.666 1.00 2.42 N ATOM 0 H LYS A 29 5.704 -15.408 -0.368 1.00 34.40 H new ATOM 0 HA LYS A 29 6.070 -16.681 -2.883 1.00 21.21 H new ATOM 0 HB2 LYS A 29 5.666 -17.886 -0.854 1.00 75.23 H new ATOM 0 HB3 LYS A 29 4.271 -16.901 -0.459 1.00 75.23 H new ATOM 0 HG2 LYS A 29 3.248 -18.844 -1.039 1.00 11.24 H new ATOM 0 HG3 LYS A 29 3.205 -18.005 -2.576 1.00 11.24 H new ATOM 0 HD2 LYS A 29 5.337 -20.053 -1.857 1.00 51.12 H new ATOM 0 HD3 LYS A 29 3.841 -20.462 -2.674 1.00 51.12 H new ATOM 0 HE2 LYS A 29 4.482 -18.673 -4.422 1.00 51.33 H new ATOM 0 HE3 LYS A 29 6.067 -18.657 -3.675 1.00 51.33 H new ATOM 0 HZ1 LYS A 29 6.001 -20.124 -5.562 1.00 2.42 H new ATOM 0 HZ2 LYS A 29 6.281 -21.013 -4.142 1.00 2.42 H new ATOM 0 HZ3 LYS A 29 4.744 -21.029 -4.866 1.00 2.42 H new ATOM 436 N ASP A 30 4.253 -16.208 -4.333 1.00 55.23 N ATOM 437 CA ASP A 30 3.297 -15.976 -5.427 1.00 71.01 C ATOM 438 C ASP A 30 2.978 -14.483 -5.622 1.00 1.43 C ATOM 439 O ASP A 30 1.922 -14.131 -6.160 1.00 0.31 O ATOM 440 CB ASP A 30 2.022 -16.838 -5.255 1.00 41.13 C ATOM 441 CG ASP A 30 2.218 -18.331 -5.516 1.00 55.31 C ATOM 442 OD1 ASP A 30 2.726 -18.692 -6.599 1.00 44.32 O ATOM 443 OD2 ASP A 30 1.821 -19.149 -4.656 1.00 41.23 O ATOM 0 H ASP A 30 4.997 -16.843 -4.623 1.00 55.23 H new ATOM 0 HA ASP A 30 3.779 -16.300 -6.349 1.00 71.01 H new ATOM 0 HB2 ASP A 30 1.646 -16.707 -4.240 1.00 41.13 H new ATOM 0 HB3 ASP A 30 1.253 -16.463 -5.931 1.00 41.13 H new ATOM 447 N SER A 31 3.865 -13.589 -5.171 1.00 60.04 N ATOM 448 CA SER A 31 3.586 -12.172 -5.074 1.00 20.01 C ATOM 449 C SER A 31 3.768 -11.485 -6.429 1.00 23.14 C ATOM 450 O SER A 31 4.204 -12.101 -7.409 1.00 74.35 O ATOM 451 CB SER A 31 4.427 -11.550 -3.946 1.00 4.54 C ATOM 452 OG SER A 31 5.820 -11.662 -4.157 1.00 13.30 O ATOM 0 H SER A 31 4.804 -13.843 -4.863 1.00 60.04 H new ATOM 0 HA SER A 31 2.540 -12.019 -4.807 1.00 20.01 H new ATOM 0 HB2 SER A 31 4.166 -10.496 -3.847 1.00 4.54 H new ATOM 0 HB3 SER A 31 4.170 -12.032 -3.003 1.00 4.54 H new ATOM 0 HG SER A 31 6.174 -12.399 -3.617 1.00 13.30 H new ATOM 457 N GLU A 32 3.429 -10.206 -6.522 1.00 15.53 N ATOM 458 CA GLU A 32 3.661 -9.409 -7.719 1.00 35.44 C ATOM 459 C GLU A 32 3.848 -7.960 -7.333 1.00 75.45 C ATOM 460 O GLU A 32 3.478 -7.538 -6.238 1.00 4.53 O ATOM 461 CB GLU A 32 2.481 -9.550 -8.692 1.00 23.14 C ATOM 462 CG GLU A 32 2.921 -9.923 -10.120 1.00 4.33 C ATOM 463 CD GLU A 32 1.840 -10.659 -10.923 1.00 13.10 C ATOM 464 OE1 GLU A 32 0.933 -11.277 -10.316 1.00 20.42 O ATOM 465 OE2 GLU A 32 1.955 -10.755 -12.164 1.00 11.52 O ATOM 0 H GLU A 32 2.983 -9.689 -5.764 1.00 15.53 H new ATOM 0 HA GLU A 32 4.562 -9.768 -8.216 1.00 35.44 H new ATOM 0 HB2 GLU A 32 1.797 -10.312 -8.318 1.00 23.14 H new ATOM 0 HB3 GLU A 32 1.927 -8.612 -8.722 1.00 23.14 H new ATOM 0 HG2 GLU A 32 3.203 -9.015 -10.653 1.00 4.33 H new ATOM 0 HG3 GLU A 32 3.811 -10.550 -10.065 1.00 4.33 H new ATOM 470 N LEU A 33 4.385 -7.207 -8.281 1.00 32.10 N ATOM 471 CA LEU A 33 4.869 -5.858 -8.090 1.00 52.33 C ATOM 472 C LEU A 33 4.258 -4.950 -9.146 1.00 62.32 C ATOM 473 O LEU A 33 4.137 -5.318 -10.323 1.00 62.35 O ATOM 474 CB LEU A 33 6.408 -5.852 -8.194 1.00 71.22 C ATOM 475 CG LEU A 33 7.128 -5.565 -6.871 1.00 20.12 C ATOM 476 CD1 LEU A 33 8.648 -5.665 -7.046 1.00 62.42 C ATOM 477 CD2 LEU A 33 6.839 -4.192 -6.268 1.00 42.54 C ATOM 0 H LEU A 33 4.498 -7.536 -9.240 1.00 32.10 H new ATOM 0 HA LEU A 33 4.581 -5.492 -7.105 1.00 52.33 H new ATOM 0 HB2 LEU A 33 6.739 -6.819 -8.572 1.00 71.22 H new ATOM 0 HB3 LEU A 33 6.708 -5.104 -8.927 1.00 71.22 H new ATOM 0 HG LEU A 33 6.739 -6.322 -6.190 1.00 20.12 H new ATOM 0 HD11 LEU A 33 9.138 -5.458 -6.095 1.00 62.42 H new ATOM 0 HD12 LEU A 33 8.911 -6.669 -7.378 1.00 62.42 H new ATOM 0 HD13 LEU A 33 8.977 -4.939 -7.790 1.00 62.42 H new ATOM 0 HD21 LEU A 33 7.392 -4.081 -5.335 1.00 42.54 H new ATOM 0 HD22 LEU A 33 7.147 -3.415 -6.968 1.00 42.54 H new ATOM 0 HD23 LEU A 33 5.771 -4.099 -6.070 1.00 42.54 H new ATOM 488 N LYS A 34 3.913 -3.745 -8.715 1.00 44.15 N ATOM 489 CA LYS A 34 3.441 -2.643 -9.526 1.00 53.24 C ATOM 490 C LYS A 34 4.062 -1.362 -8.984 1.00 4.43 C ATOM 491 O LYS A 34 4.871 -1.361 -8.049 1.00 73.13 O ATOM 492 CB LYS A 34 1.907 -2.619 -9.452 1.00 1.42 C ATOM 493 CG LYS A 34 1.173 -3.041 -10.723 1.00 53.23 C ATOM 494 CD LYS A 34 0.875 -1.905 -11.722 1.00 62.44 C ATOM 495 CE LYS A 34 -0.287 -2.372 -12.610 1.00 0.23 C ATOM 496 NZ LYS A 34 -0.469 -1.595 -13.856 1.00 11.50 N ATOM 0 H LYS A 34 3.960 -3.500 -7.726 1.00 44.15 H new ATOM 0 HA LYS A 34 3.728 -2.746 -10.572 1.00 53.24 H new ATOM 0 HB2 LYS A 34 1.591 -3.273 -8.639 1.00 1.42 H new ATOM 0 HB3 LYS A 34 1.591 -1.609 -9.191 1.00 1.42 H new ATOM 0 HG2 LYS A 34 1.767 -3.801 -11.230 1.00 53.23 H new ATOM 0 HG3 LYS A 34 0.230 -3.509 -10.440 1.00 53.23 H new ATOM 0 HD2 LYS A 34 0.611 -0.988 -11.194 1.00 62.44 H new ATOM 0 HD3 LYS A 34 1.755 -1.683 -12.326 1.00 62.44 H new ATOM 0 HE2 LYS A 34 -0.128 -3.418 -12.871 1.00 0.23 H new ATOM 0 HE3 LYS A 34 -1.209 -2.325 -12.031 1.00 0.23 H new ATOM 0 HZ1 LYS A 34 -0.690 -2.242 -14.640 1.00 11.50 H new ATOM 0 HZ2 LYS A 34 -1.251 -0.920 -13.733 1.00 11.50 H new ATOM 0 HZ3 LYS A 34 0.406 -1.076 -14.072 1.00 11.50 H new ATOM 506 N GLU A 35 3.674 -0.255 -9.596 1.00 61.43 N ATOM 507 CA GLU A 35 4.087 1.089 -9.265 1.00 52.53 C ATOM 508 C GLU A 35 2.896 2.004 -9.539 1.00 24.43 C ATOM 509 O GLU A 35 2.017 1.671 -10.339 1.00 4.50 O ATOM 510 CB GLU A 35 5.342 1.454 -10.087 1.00 24.00 C ATOM 511 CG GLU A 35 5.203 1.175 -11.599 1.00 40.35 C ATOM 512 CD GLU A 35 6.397 1.663 -12.430 1.00 54.14 C ATOM 513 OE1 GLU A 35 7.430 0.953 -12.499 1.00 22.43 O ATOM 514 OE2 GLU A 35 6.309 2.768 -13.020 1.00 52.32 O ATOM 0 H GLU A 35 3.025 -0.278 -10.382 1.00 61.43 H new ATOM 0 HA GLU A 35 4.369 1.194 -8.217 1.00 52.53 H new ATOM 0 HB2 GLU A 35 5.565 2.511 -9.942 1.00 24.00 H new ATOM 0 HB3 GLU A 35 6.193 0.893 -9.701 1.00 24.00 H new ATOM 0 HG2 GLU A 35 5.080 0.103 -11.752 1.00 40.35 H new ATOM 0 HG3 GLU A 35 4.296 1.655 -11.966 1.00 40.35 H new ATOM 519 N VAL A 36 2.874 3.163 -8.892 1.00 12.23 N ATOM 520 CA VAL A 36 1.903 4.243 -9.092 1.00 11.43 C ATOM 521 C VAL A 36 2.694 5.514 -9.428 1.00 54.44 C ATOM 522 O VAL A 36 3.863 5.629 -9.046 1.00 34.30 O ATOM 523 CB VAL A 36 1.053 4.445 -7.815 1.00 0.42 C ATOM 524 CG1 VAL A 36 -0.179 5.323 -8.120 1.00 33.43 C ATOM 525 CG2 VAL A 36 0.524 3.159 -7.164 1.00 74.45 C ATOM 0 H VAL A 36 3.565 3.391 -8.177 1.00 12.23 H new ATOM 0 HA VAL A 36 1.217 4.000 -9.903 1.00 11.43 H new ATOM 0 HB VAL A 36 1.746 4.911 -7.115 1.00 0.42 H new ATOM 0 HG11 VAL A 36 -0.766 5.455 -7.211 1.00 33.43 H new ATOM 0 HG12 VAL A 36 0.149 6.296 -8.485 1.00 33.43 H new ATOM 0 HG13 VAL A 36 -0.792 4.839 -8.880 1.00 33.43 H new ATOM 0 HG21 VAL A 36 -0.058 3.413 -6.278 1.00 74.45 H new ATOM 0 HG22 VAL A 36 -0.109 2.626 -7.873 1.00 74.45 H new ATOM 0 HG23 VAL A 36 1.363 2.524 -6.878 1.00 74.45 H new ATOM 535 N LYS A 37 2.057 6.490 -10.086 1.00 55.51 N ATOM 536 CA LYS A 37 2.499 7.875 -10.155 1.00 35.32 C ATOM 537 C LYS A 37 1.299 8.820 -10.120 1.00 55.14 C ATOM 538 O LYS A 37 0.171 8.389 -10.389 1.00 44.51 O ATOM 539 CB LYS A 37 3.406 8.095 -11.372 1.00 0.20 C ATOM 540 CG LYS A 37 2.747 8.056 -12.763 1.00 52.22 C ATOM 541 CD LYS A 37 2.387 6.640 -13.253 1.00 33.01 C ATOM 542 CE LYS A 37 2.817 6.340 -14.696 1.00 60.43 C ATOM 543 NZ LYS A 37 2.242 7.220 -15.738 1.00 41.31 N ATOM 0 H LYS A 37 1.192 6.325 -10.600 1.00 55.51 H new ATOM 0 HA LYS A 37 3.103 8.105 -9.277 1.00 35.32 H new ATOM 0 HB2 LYS A 37 3.894 9.063 -11.258 1.00 0.20 H new ATOM 0 HB3 LYS A 37 4.190 7.338 -11.349 1.00 0.20 H new ATOM 0 HG2 LYS A 37 1.841 8.662 -12.740 1.00 52.22 H new ATOM 0 HG3 LYS A 37 3.421 8.518 -13.485 1.00 52.22 H new ATOM 0 HD2 LYS A 37 2.851 5.910 -12.589 1.00 33.01 H new ATOM 0 HD3 LYS A 37 1.309 6.504 -13.172 1.00 33.01 H new ATOM 0 HE2 LYS A 37 3.904 6.405 -14.752 1.00 60.43 H new ATOM 0 HE3 LYS A 37 2.547 5.310 -14.928 1.00 60.43 H new ATOM 0 HZ1 LYS A 37 2.597 6.931 -16.672 1.00 41.31 H new ATOM 0 HZ2 LYS A 37 1.205 7.144 -15.723 1.00 41.31 H new ATOM 0 HZ3 LYS A 37 2.519 8.205 -15.552 1.00 41.31 H new ATOM 553 N VAL A 38 1.564 10.090 -9.811 1.00 73.43 N ATOM 554 CA VAL A 38 0.629 11.204 -9.902 1.00 0.30 C ATOM 555 C VAL A 38 0.814 11.890 -11.260 1.00 33.41 C ATOM 556 O VAL A 38 1.535 11.377 -12.117 1.00 71.42 O ATOM 557 CB VAL A 38 0.825 12.193 -8.724 1.00 72.53 C ATOM 558 CG1 VAL A 38 0.195 11.648 -7.442 1.00 14.33 C ATOM 559 CG2 VAL A 38 2.297 12.561 -8.484 1.00 60.42 C ATOM 0 H VAL A 38 2.482 10.380 -9.474 1.00 73.43 H new ATOM 0 HA VAL A 38 -0.394 10.835 -9.828 1.00 0.30 H new ATOM 0 HB VAL A 38 0.314 13.112 -9.010 1.00 72.53 H new ATOM 0 HG11 VAL A 38 0.346 12.360 -6.631 1.00 14.33 H new ATOM 0 HG12 VAL A 38 -0.873 11.497 -7.597 1.00 14.33 H new ATOM 0 HG13 VAL A 38 0.662 10.698 -7.182 1.00 14.33 H new ATOM 0 HG21 VAL A 38 2.367 13.256 -7.647 1.00 60.42 H new ATOM 0 HG22 VAL A 38 2.865 11.659 -8.255 1.00 60.42 H new ATOM 0 HG23 VAL A 38 2.706 13.030 -9.379 1.00 60.42 H new ATOM 569 N SER A 39 0.161 13.032 -11.462 1.00 2.01 N ATOM 570 CA SER A 39 0.458 13.970 -12.531 1.00 20.34 C ATOM 571 C SER A 39 1.840 14.631 -12.345 1.00 40.03 C ATOM 572 O SER A 39 2.669 14.168 -11.565 1.00 61.23 O ATOM 573 CB SER A 39 -0.689 14.960 -12.628 1.00 72.24 C ATOM 574 OG SER A 39 -0.690 15.617 -13.874 1.00 40.15 O ATOM 0 H SER A 39 -0.610 13.335 -10.867 1.00 2.01 H new ATOM 0 HA SER A 39 0.535 13.447 -13.484 1.00 20.34 H new ATOM 0 HB2 SER A 39 -1.636 14.439 -12.488 1.00 72.24 H new ATOM 0 HB3 SER A 39 -0.608 15.694 -11.827 1.00 72.24 H new ATOM 0 HG SER A 39 -1.439 16.247 -13.911 1.00 40.15 H new ATOM 579 N GLU A 40 2.093 15.715 -13.075 1.00 33.10 N ATOM 580 CA GLU A 40 3.342 16.480 -13.115 1.00 12.30 C ATOM 581 C GLU A 40 3.137 17.914 -12.623 1.00 63.12 C ATOM 582 O GLU A 40 3.713 18.896 -13.106 1.00 0.13 O ATOM 583 CB GLU A 40 3.922 16.378 -14.518 1.00 41.43 C ATOM 584 CG GLU A 40 3.087 17.049 -15.622 1.00 34.51 C ATOM 585 CD GLU A 40 3.553 16.710 -17.043 1.00 71.34 C ATOM 586 OE1 GLU A 40 4.574 16.012 -17.246 1.00 14.03 O ATOM 587 OE2 GLU A 40 2.837 17.059 -18.009 1.00 43.22 O ATOM 0 H GLU A 40 1.386 16.110 -13.696 1.00 33.10 H new ATOM 0 HA GLU A 40 4.072 16.060 -12.423 1.00 12.30 H new ATOM 0 HB2 GLU A 40 4.917 16.823 -14.516 1.00 41.43 H new ATOM 0 HB3 GLU A 40 4.045 15.324 -14.767 1.00 41.43 H new ATOM 0 HG2 GLU A 40 2.045 16.749 -15.510 1.00 34.51 H new ATOM 0 HG3 GLU A 40 3.123 18.130 -15.486 1.00 34.51 H new ATOM 592 N GLY A 41 2.223 18.035 -11.675 1.00 61.31 N ATOM 593 CA GLY A 41 1.766 19.297 -11.137 1.00 51.35 C ATOM 594 C GLY A 41 1.107 19.147 -9.786 1.00 11.31 C ATOM 595 O GLY A 41 0.093 19.804 -9.556 1.00 22.23 O ATOM 0 H GLY A 41 1.766 17.229 -11.248 1.00 61.31 H new ATOM 0 HA2 GLY A 41 2.612 19.979 -11.051 1.00 51.35 H new ATOM 0 HA3 GLY A 41 1.060 19.751 -11.833 1.00 51.35 H new ATOM 599 N THR A 42 1.621 18.272 -8.927 1.00 51.22 N ATOM 600 CA THR A 42 0.913 17.881 -7.718 1.00 52.32 C ATOM 601 C THR A 42 1.767 18.152 -6.475 1.00 43.03 C ATOM 602 O THR A 42 1.234 18.584 -5.456 1.00 61.44 O ATOM 603 CB THR A 42 0.463 16.424 -7.898 1.00 12.12 C ATOM 604 OG1 THR A 42 -0.232 16.252 -9.127 1.00 11.11 O ATOM 605 CG2 THR A 42 -0.488 15.966 -6.804 1.00 1.30 C ATOM 0 H THR A 42 2.528 17.821 -9.048 1.00 51.22 H new ATOM 0 HA THR A 42 0.018 18.481 -7.554 1.00 52.32 H new ATOM 0 HB THR A 42 1.380 15.836 -7.868 1.00 12.12 H new ATOM 0 HG1 THR A 42 -0.507 15.316 -9.219 1.00 11.11 H new ATOM 0 HG21 THR A 42 -0.774 14.929 -6.981 1.00 1.30 H new ATOM 0 HG22 THR A 42 0.006 16.046 -5.836 1.00 1.30 H new ATOM 0 HG23 THR A 42 -1.379 16.594 -6.810 1.00 1.30 H new ATOM 613 N PHE A 43 3.085 17.965 -6.537 1.00 1.10 N ATOM 614 CA PHE A 43 4.042 18.363 -5.533 1.00 4.04 C ATOM 615 C PHE A 43 5.433 18.543 -6.101 1.00 73.41 C ATOM 616 O PHE A 43 5.759 18.105 -7.205 1.00 63.22 O ATOM 617 CB PHE A 43 4.043 17.380 -4.368 1.00 51.02 C ATOM 618 CG PHE A 43 3.552 15.987 -4.671 1.00 44.04 C ATOM 619 CD1 PHE A 43 4.402 15.009 -5.213 1.00 15.00 C ATOM 620 CD2 PHE A 43 2.196 15.708 -4.439 1.00 43.04 C ATOM 621 CE1 PHE A 43 3.898 13.725 -5.478 1.00 11.11 C ATOM 622 CE2 PHE A 43 1.692 14.425 -4.712 1.00 61.53 C ATOM 623 CZ PHE A 43 2.547 13.433 -5.216 1.00 31.33 C ATOM 0 H PHE A 43 3.526 17.507 -7.335 1.00 1.10 H new ATOM 0 HA PHE A 43 3.730 19.338 -5.160 1.00 4.04 H new ATOM 0 HB2 PHE A 43 5.060 17.308 -3.981 1.00 51.02 H new ATOM 0 HB3 PHE A 43 3.427 17.794 -3.570 1.00 51.02 H new ATOM 0 HD1 PHE A 43 5.435 15.242 -5.424 1.00 15.00 H new ATOM 0 HD2 PHE A 43 1.543 16.476 -4.052 1.00 43.04 H new ATOM 0 HE1 PHE A 43 4.547 12.963 -5.883 1.00 11.11 H new ATOM 0 HE2 PHE A 43 0.650 14.203 -4.535 1.00 61.53 H new ATOM 0 HZ PHE A 43 2.166 12.440 -5.404 1.00 31.33 H new ATOM 632 N ASP A 44 6.237 19.194 -5.275 1.00 32.20 N ATOM 633 CA ASP A 44 7.601 19.609 -5.513 1.00 0.04 C ATOM 634 C ASP A 44 8.487 18.869 -4.513 1.00 71.42 C ATOM 635 O ASP A 44 7.989 18.031 -3.759 1.00 24.14 O ATOM 636 CB ASP A 44 7.652 21.133 -5.346 1.00 71.44 C ATOM 637 CG ASP A 44 8.822 21.723 -6.116 1.00 73.55 C ATOM 638 OD1 ASP A 44 8.913 21.481 -7.339 1.00 43.23 O ATOM 639 OD2 ASP A 44 9.640 22.438 -5.504 1.00 20.24 O ATOM 0 H ASP A 44 5.920 19.466 -4.344 1.00 32.20 H new ATOM 0 HA ASP A 44 7.957 19.370 -6.515 1.00 0.04 H new ATOM 0 HB2 ASP A 44 6.720 21.573 -5.699 1.00 71.44 H new ATOM 0 HB3 ASP A 44 7.743 21.384 -4.289 1.00 71.44 H new ATOM 643 N ALA A 45 9.789 19.138 -4.459 1.00 22.23 N ATOM 644 CA ALA A 45 10.615 18.570 -3.399 1.00 74.43 C ATOM 645 C ALA A 45 10.534 19.403 -2.112 1.00 11.43 C ATOM 646 O ALA A 45 10.943 18.916 -1.057 1.00 51.44 O ATOM 647 CB ALA A 45 12.058 18.443 -3.884 1.00 62.45 C ATOM 0 H ALA A 45 10.286 19.733 -5.122 1.00 22.23 H new ATOM 0 HA ALA A 45 10.234 17.577 -3.158 1.00 74.43 H new ATOM 0 HB1 ALA A 45 12.673 18.019 -3.090 1.00 62.45 H new ATOM 0 HB2 ALA A 45 12.092 17.792 -4.757 1.00 62.45 H new ATOM 0 HB3 ALA A 45 12.440 19.428 -4.151 1.00 62.45 H new ATOM 653 N ASP A 46 10.032 20.642 -2.172 1.00 0.43 N ATOM 654 CA ASP A 46 10.317 21.605 -1.106 1.00 63.32 C ATOM 655 C ASP A 46 9.454 21.379 0.126 1.00 3.23 C ATOM 656 O ASP A 46 8.310 20.932 0.017 1.00 63.23 O ATOM 657 CB ASP A 46 10.138 23.067 -1.543 1.00 35.54 C ATOM 658 CG ASP A 46 11.302 23.896 -1.009 1.00 44.35 C ATOM 659 OD1 ASP A 46 11.641 23.739 0.179 1.00 64.33 O ATOM 660 OD2 ASP A 46 11.869 24.709 -1.783 1.00 54.02 O ATOM 0 H ASP A 46 9.442 20.994 -2.926 1.00 0.43 H new ATOM 0 HA ASP A 46 11.366 21.431 -0.864 1.00 63.32 H new ATOM 0 HB2 ASP A 46 10.098 23.132 -2.630 1.00 35.54 H new ATOM 0 HB3 ASP A 46 9.193 23.459 -1.166 1.00 35.54 H new ATOM 664 N MET A 47 9.958 21.786 1.286 1.00 33.41 N ATOM 665 CA MET A 47 9.299 21.663 2.576 1.00 40.04 C ATOM 666 C MET A 47 8.068 22.571 2.657 1.00 74.42 C ATOM 667 O MET A 47 6.939 22.075 2.656 1.00 24.30 O ATOM 668 CB MET A 47 10.329 21.868 3.701 1.00 35.12 C ATOM 669 CG MET A 47 11.097 23.198 3.690 1.00 72.21 C ATOM 670 SD MET A 47 12.806 23.074 4.274 1.00 22.22 S ATOM 671 CE MET A 47 13.491 22.180 2.861 1.00 20.33 C ATOM 0 H MET A 47 10.875 22.228 1.353 1.00 33.41 H new ATOM 0 HA MET A 47 8.903 20.656 2.705 1.00 40.04 H new ATOM 0 HB2 MET A 47 9.813 21.779 4.657 1.00 35.12 H new ATOM 0 HB3 MET A 47 11.053 21.055 3.653 1.00 35.12 H new ATOM 0 HG2 MET A 47 11.100 23.594 2.675 1.00 72.21 H new ATOM 0 HG3 MET A 47 10.564 23.917 4.312 1.00 72.21 H new ATOM 0 HE1 MET A 47 14.569 22.335 2.820 1.00 20.33 H new ATOM 0 HE2 MET A 47 13.281 21.116 2.967 1.00 20.33 H new ATOM 0 HE3 MET A 47 13.036 22.549 1.942 1.00 20.33 H new ATOM 679 N TYR A 48 8.255 23.894 2.703 1.00 15.03 N ATOM 680 CA TYR A 48 7.166 24.859 2.855 1.00 21.41 C ATOM 681 C TYR A 48 6.182 24.765 1.691 1.00 13.10 C ATOM 682 O TYR A 48 4.971 24.791 1.913 1.00 14.41 O ATOM 683 CB TYR A 48 7.716 26.291 2.998 1.00 24.23 C ATOM 684 CG TYR A 48 8.689 26.708 1.911 1.00 2.20 C ATOM 685 CD1 TYR A 48 8.216 27.323 0.735 1.00 64.52 C ATOM 686 CD2 TYR A 48 10.053 26.393 2.040 1.00 32.44 C ATOM 687 CE1 TYR A 48 9.085 27.532 -0.352 1.00 20.14 C ATOM 688 CE2 TYR A 48 10.923 26.578 0.956 1.00 44.31 C ATOM 689 CZ TYR A 48 10.431 27.113 -0.256 1.00 42.34 C ATOM 690 OH TYR A 48 11.242 27.171 -1.342 1.00 31.12 O ATOM 0 H TYR A 48 9.176 24.327 2.635 1.00 15.03 H new ATOM 0 HA TYR A 48 6.626 24.613 3.769 1.00 21.41 H new ATOM 0 HB2 TYR A 48 6.878 26.988 3.004 1.00 24.23 H new ATOM 0 HB3 TYR A 48 8.212 26.380 3.964 1.00 24.23 H new ATOM 0 HD1 TYR A 48 7.184 27.635 0.668 1.00 64.52 H new ATOM 0 HD2 TYR A 48 10.431 26.008 2.975 1.00 32.44 H new ATOM 0 HE1 TYR A 48 8.726 28.009 -1.252 1.00 20.14 H new ATOM 0 HE2 TYR A 48 11.966 26.312 1.047 1.00 44.31 H new ATOM 0 HH TYR A 48 11.847 26.400 -1.340 1.00 31.12 H new ATOM 699 N LYS A 49 6.684 24.624 0.455 1.00 53.41 N ATOM 700 CA LYS A 49 5.827 24.659 -0.723 1.00 73.42 C ATOM 701 C LYS A 49 4.844 23.504 -0.676 1.00 33.54 C ATOM 702 O LYS A 49 3.640 23.720 -0.786 1.00 15.10 O ATOM 703 CB LYS A 49 6.692 24.661 -1.989 1.00 64.33 C ATOM 704 CG LYS A 49 5.875 24.910 -3.265 1.00 4.11 C ATOM 705 CD LYS A 49 6.594 25.929 -4.156 1.00 42.11 C ATOM 706 CE LYS A 49 5.868 26.073 -5.491 1.00 34.32 C ATOM 707 NZ LYS A 49 6.698 26.773 -6.484 1.00 32.33 N ATOM 0 H LYS A 49 7.674 24.486 0.253 1.00 53.41 H new ATOM 0 HA LYS A 49 5.237 25.576 -0.739 1.00 73.42 H new ATOM 0 HB2 LYS A 49 7.460 25.430 -1.898 1.00 64.33 H new ATOM 0 HB3 LYS A 49 7.207 23.704 -2.073 1.00 64.33 H new ATOM 0 HG2 LYS A 49 5.737 23.974 -3.807 1.00 4.11 H new ATOM 0 HG3 LYS A 49 4.882 25.278 -3.005 1.00 4.11 H new ATOM 0 HD2 LYS A 49 6.638 26.895 -3.653 1.00 42.11 H new ATOM 0 HD3 LYS A 49 7.623 25.611 -4.326 1.00 42.11 H new ATOM 0 HE2 LYS A 49 5.601 25.086 -5.869 1.00 34.32 H new ATOM 0 HE3 LYS A 49 4.937 26.620 -5.343 1.00 34.32 H new ATOM 0 HZ1 LYS A 49 6.175 26.854 -7.379 1.00 32.33 H new ATOM 0 HZ2 LYS A 49 6.932 27.724 -6.133 1.00 32.33 H new ATOM 0 HZ3 LYS A 49 7.575 26.237 -6.643 1.00 32.33 H new ATOM 717 N THR A 50 5.334 22.280 -0.480 1.00 21.33 N ATOM 718 CA THR A 50 4.440 21.135 -0.454 1.00 75.24 C ATOM 719 C THR A 50 3.629 21.074 0.832 1.00 2.44 C ATOM 720 O THR A 50 2.564 20.471 0.808 1.00 43.21 O ATOM 721 CB THR A 50 5.209 19.836 -0.668 1.00 51.02 C ATOM 722 OG1 THR A 50 6.132 19.628 0.379 1.00 61.14 O ATOM 723 CG2 THR A 50 5.915 19.845 -2.022 1.00 40.14 C ATOM 0 H THR A 50 6.321 22.064 -0.341 1.00 21.33 H new ATOM 0 HA THR A 50 3.737 21.260 -1.277 1.00 75.24 H new ATOM 0 HB THR A 50 4.498 19.010 -0.663 1.00 51.02 H new ATOM 0 HG1 THR A 50 6.379 18.680 0.414 1.00 61.14 H new ATOM 0 HG21 THR A 50 6.458 18.909 -2.155 1.00 40.14 H new ATOM 0 HG22 THR A 50 5.177 19.953 -2.817 1.00 40.14 H new ATOM 0 HG23 THR A 50 6.615 20.680 -2.062 1.00 40.14 H new ATOM 731 N SER A 51 4.081 21.689 1.933 1.00 3.34 N ATOM 732 CA SER A 51 3.269 21.781 3.140 1.00 51.24 C ATOM 733 C SER A 51 1.955 22.497 2.830 1.00 20.52 C ATOM 734 O SER A 51 0.926 22.140 3.389 1.00 13.31 O ATOM 735 CB SER A 51 4.032 22.499 4.257 1.00 11.02 C ATOM 736 OG SER A 51 5.187 21.768 4.641 1.00 61.52 O ATOM 0 H SER A 51 5.000 22.126 2.007 1.00 3.34 H new ATOM 0 HA SER A 51 3.044 20.773 3.488 1.00 51.24 H new ATOM 0 HB2 SER A 51 4.323 23.494 3.921 1.00 11.02 H new ATOM 0 HB3 SER A 51 3.379 22.632 5.120 1.00 11.02 H new ATOM 0 HG SER A 51 5.797 21.696 3.878 1.00 61.52 H new ATOM 741 N ASP A 52 1.966 23.470 1.915 1.00 15.03 N ATOM 742 CA ASP A 52 0.759 24.198 1.556 1.00 20.44 C ATOM 743 C ASP A 52 -0.189 23.352 0.712 1.00 74.52 C ATOM 744 O ASP A 52 -1.389 23.353 0.974 1.00 63.12 O ATOM 745 CB ASP A 52 1.128 25.478 0.800 1.00 60.54 C ATOM 746 CG ASP A 52 -0.040 26.457 0.755 1.00 42.24 C ATOM 747 OD1 ASP A 52 -0.847 26.503 1.710 1.00 34.31 O ATOM 748 OD2 ASP A 52 -0.142 27.219 -0.231 1.00 2.30 O ATOM 0 H ASP A 52 2.802 23.768 1.412 1.00 15.03 H new ATOM 0 HA ASP A 52 0.240 24.452 2.480 1.00 20.44 H new ATOM 0 HB2 ASP A 52 1.983 25.952 1.281 1.00 60.54 H new ATOM 0 HB3 ASP A 52 1.433 25.227 -0.216 1.00 60.54 H new ATOM 752 N ILE A 53 0.331 22.614 -0.276 1.00 24.10 N ATOM 753 CA ILE A 53 -0.473 21.738 -1.139 1.00 34.11 C ATOM 754 C ILE A 53 -1.039 20.615 -0.277 1.00 54.33 C ATOM 755 O ILE A 53 -2.242 20.363 -0.278 1.00 4.12 O ATOM 756 CB ILE A 53 0.349 21.121 -2.314 1.00 31.50 C ATOM 757 CG1 ILE A 53 1.346 22.104 -2.968 1.00 71.55 C ATOM 758 CG2 ILE A 53 -0.643 20.611 -3.366 1.00 1.44 C ATOM 759 CD1 ILE A 53 2.384 21.442 -3.884 1.00 44.35 C ATOM 0 H ILE A 53 1.326 22.607 -0.501 1.00 24.10 H new ATOM 0 HA ILE A 53 -1.263 22.340 -1.589 1.00 34.11 H new ATOM 0 HB ILE A 53 0.958 20.316 -1.903 1.00 31.50 H new ATOM 0 HG12 ILE A 53 0.786 22.839 -3.546 1.00 71.55 H new ATOM 0 HG13 ILE A 53 1.869 22.648 -2.182 1.00 71.55 H new ATOM 0 HG21 ILE A 53 -0.095 20.174 -4.201 1.00 1.44 H new ATOM 0 HG22 ILE A 53 -1.289 19.855 -2.920 1.00 1.44 H new ATOM 0 HG23 ILE A 53 -1.250 21.441 -3.726 1.00 1.44 H new ATOM 0 HD11 ILE A 53 3.042 22.205 -4.300 1.00 44.35 H new ATOM 0 HD12 ILE A 53 2.974 20.728 -3.309 1.00 44.35 H new ATOM 0 HD13 ILE A 53 1.874 20.922 -4.695 1.00 44.35 H new ATOM 770 N ALA A 54 -0.174 19.963 0.501 1.00 35.13 N ATOM 771 CA ALA A 54 -0.569 18.879 1.369 1.00 62.52 C ATOM 772 C ALA A 54 -1.426 19.357 2.536 1.00 14.01 C ATOM 773 O ALA A 54 -1.902 18.499 3.265 1.00 21.20 O ATOM 774 CB ALA A 54 0.650 18.077 1.844 1.00 35.10 C ATOM 0 H ALA A 54 0.822 20.181 0.539 1.00 35.13 H new ATOM 0 HA ALA A 54 -1.196 18.208 0.782 1.00 62.52 H new ATOM 0 HB1 ALA A 54 0.321 17.268 2.496 1.00 35.10 H new ATOM 0 HB2 ALA A 54 1.170 17.660 0.981 1.00 35.10 H new ATOM 0 HB3 ALA A 54 1.326 18.733 2.393 1.00 35.10 H new ATOM 780 N LEU A 55 -1.665 20.659 2.718 1.00 20.22 N ATOM 781 CA LEU A 55 -2.703 21.181 3.589 1.00 43.41 C ATOM 782 C LEU A 55 -3.968 21.494 2.784 1.00 24.44 C ATOM 783 O LEU A 55 -5.077 21.251 3.262 1.00 0.41 O ATOM 784 CB LEU A 55 -2.167 22.432 4.302 1.00 42.34 C ATOM 785 CG LEU A 55 -3.113 22.989 5.368 1.00 63.14 C ATOM 786 CD1 LEU A 55 -3.391 21.960 6.468 1.00 63.31 C ATOM 787 CD2 LEU A 55 -2.489 24.234 5.998 1.00 13.42 C ATOM 0 H LEU A 55 -1.127 21.389 2.251 1.00 20.22 H new ATOM 0 HA LEU A 55 -2.972 20.435 4.337 1.00 43.41 H new ATOM 0 HB2 LEU A 55 -1.211 22.192 4.768 1.00 42.34 H new ATOM 0 HB3 LEU A 55 -1.974 23.207 3.560 1.00 42.34 H new ATOM 0 HG LEU A 55 -4.057 23.236 4.883 1.00 63.14 H new ATOM 0 HD11 LEU A 55 -4.066 22.391 7.207 1.00 63.31 H new ATOM 0 HD12 LEU A 55 -3.850 21.074 6.030 1.00 63.31 H new ATOM 0 HD13 LEU A 55 -2.454 21.682 6.951 1.00 63.31 H new ATOM 0 HD21 LEU A 55 -3.161 24.633 6.758 1.00 13.42 H new ATOM 0 HD22 LEU A 55 -1.537 23.971 6.458 1.00 13.42 H new ATOM 0 HD23 LEU A 55 -2.324 24.988 5.228 1.00 13.42 H new ATOM 798 N ASP A 56 -3.820 22.018 1.563 1.00 13.34 N ATOM 799 CA ASP A 56 -4.920 22.351 0.665 1.00 73.52 C ATOM 800 C ASP A 56 -5.756 21.113 0.321 1.00 14.30 C ATOM 801 O ASP A 56 -6.987 21.197 0.334 1.00 54.03 O ATOM 802 CB ASP A 56 -4.444 23.242 -0.515 1.00 1.34 C ATOM 803 CG ASP A 56 -4.074 22.671 -1.884 1.00 35.51 C ATOM 804 OD1 ASP A 56 -4.565 21.608 -2.295 1.00 1.00 O ATOM 805 OD2 ASP A 56 -3.357 23.392 -2.627 1.00 20.41 O ATOM 0 H ASP A 56 -2.904 22.226 1.165 1.00 13.34 H new ATOM 0 HA ASP A 56 -5.636 22.994 1.177 1.00 73.52 H new ATOM 0 HB2 ASP A 56 -5.231 23.977 -0.687 1.00 1.34 H new ATOM 0 HB3 ASP A 56 -3.570 23.788 -0.159 1.00 1.34 H new ATOM 809 N GLN A 57 -5.134 19.939 0.202 1.00 12.33 N ATOM 810 CA GLN A 57 -5.805 18.656 -0.017 1.00 20.53 C ATOM 811 C GLN A 57 -6.300 17.992 1.297 1.00 75.55 C ATOM 812 O GLN A 57 -6.926 16.932 1.236 1.00 35.34 O ATOM 813 CB GLN A 57 -4.887 17.729 -0.841 1.00 3.24 C ATOM 814 CG GLN A 57 -4.471 18.341 -2.192 1.00 71.14 C ATOM 815 CD GLN A 57 -3.545 17.436 -3.000 1.00 14.02 C ATOM 816 OE1 GLN A 57 -2.552 16.917 -2.492 1.00 60.53 O ATOM 817 NE2 GLN A 57 -3.785 17.257 -4.286 1.00 1.03 N ATOM 0 H GLN A 57 -4.119 19.852 0.257 1.00 12.33 H new ATOM 0 HA GLN A 57 -6.714 18.844 -0.588 1.00 20.53 H new ATOM 0 HB2 GLN A 57 -3.993 17.502 -0.260 1.00 3.24 H new ATOM 0 HB3 GLN A 57 -5.400 16.784 -1.019 1.00 3.24 H new ATOM 0 HG2 GLN A 57 -5.365 18.553 -2.779 1.00 71.14 H new ATOM 0 HG3 GLN A 57 -3.973 19.294 -2.014 1.00 71.14 H new ATOM 0 HE21 GLN A 57 -4.606 17.683 -4.716 1.00 1.03 H new ATOM 0 HE22 GLN A 57 -3.150 16.692 -4.850 1.00 1.03 H new ATOM 824 N ILE A 58 -6.085 18.596 2.481 1.00 15.34 N ATOM 825 CA ILE A 58 -6.640 18.117 3.763 1.00 2.11 C ATOM 826 C ILE A 58 -7.912 18.888 4.112 1.00 25.31 C ATOM 827 O ILE A 58 -8.911 18.290 4.521 1.00 44.22 O ATOM 828 CB ILE A 58 -5.625 18.246 4.934 1.00 73.54 C ATOM 829 CG1 ILE A 58 -4.418 17.320 4.716 1.00 55.11 C ATOM 830 CG2 ILE A 58 -6.270 17.913 6.297 1.00 63.32 C ATOM 831 CD1 ILE A 58 -3.257 17.525 5.709 1.00 3.23 C ATOM 0 H ILE A 58 -5.516 19.437 2.576 1.00 15.34 H new ATOM 0 HA ILE A 58 -6.867 17.059 3.631 1.00 2.11 H new ATOM 0 HB ILE A 58 -5.296 19.285 4.948 1.00 73.54 H new ATOM 0 HG12 ILE A 58 -4.755 16.286 4.782 1.00 55.11 H new ATOM 0 HG13 ILE A 58 -4.042 17.469 3.704 1.00 55.11 H new ATOM 0 HG21 ILE A 58 -5.526 18.016 7.087 1.00 63.32 H new ATOM 0 HG22 ILE A 58 -7.096 18.598 6.486 1.00 63.32 H new ATOM 0 HG23 ILE A 58 -6.644 16.889 6.282 1.00 63.32 H new ATOM 0 HD11 ILE A 58 -2.452 16.828 5.476 1.00 3.23 H new ATOM 0 HD12 ILE A 58 -2.886 18.547 5.630 1.00 3.23 H new ATOM 0 HD13 ILE A 58 -3.611 17.345 6.724 1.00 3.23 H new ATOM 842 N GLN A 59 -7.837 20.224 4.107 1.00 74.33 N ATOM 843 CA GLN A 59 -8.743 21.047 4.907 1.00 5.21 C ATOM 844 C GLN A 59 -10.180 21.115 4.377 1.00 2.24 C ATOM 845 O GLN A 59 -11.012 21.802 4.979 1.00 12.13 O ATOM 846 CB GLN A 59 -8.155 22.455 5.086 1.00 31.22 C ATOM 847 CG GLN A 59 -6.979 22.461 6.072 1.00 45.23 C ATOM 848 CD GLN A 59 -6.862 23.811 6.773 1.00 25.52 C ATOM 849 OE1 GLN A 59 -7.578 24.083 7.734 1.00 71.32 O ATOM 850 NE2 GLN A 59 -6.000 24.695 6.299 1.00 61.42 N ATOM 0 H GLN A 59 -7.160 20.754 3.559 1.00 74.33 H new ATOM 0 HA GLN A 59 -8.824 20.551 5.874 1.00 5.21 H new ATOM 0 HB2 GLN A 59 -7.821 22.835 4.120 1.00 31.22 H new ATOM 0 HB3 GLN A 59 -8.932 23.131 5.443 1.00 31.22 H new ATOM 0 HG2 GLN A 59 -7.116 21.673 6.813 1.00 45.23 H new ATOM 0 HG3 GLN A 59 -6.053 22.241 5.541 1.00 45.23 H new ATOM 0 HE21 GLN A 59 -5.412 24.456 5.501 1.00 61.42 H new ATOM 0 HE22 GLN A 59 -5.924 25.615 6.732 1.00 61.42 H new ATOM 857 N GLY A 60 -10.514 20.430 3.286 1.00 61.32 N ATOM 858 CA GLY A 60 -11.719 20.731 2.537 1.00 32.52 C ATOM 859 C GLY A 60 -11.559 22.079 1.845 1.00 14.22 C ATOM 860 O GLY A 60 -12.524 22.839 1.753 1.00 2.01 O ATOM 0 H GLY A 60 -9.962 19.662 2.905 1.00 61.32 H new ATOM 0 HA2 GLY A 60 -11.907 19.951 1.799 1.00 32.52 H new ATOM 0 HA3 GLY A 60 -12.580 20.752 3.205 1.00 32.52 H new ATOM 864 N ASN A 61 -10.334 22.430 1.446 1.00 3.33 N ATOM 865 CA ASN A 61 -10.082 23.572 0.574 1.00 45.11 C ATOM 866 C ASN A 61 -10.176 23.046 -0.848 1.00 50.12 C ATOM 867 O ASN A 61 -10.998 23.513 -1.632 1.00 54.33 O ATOM 868 CB ASN A 61 -8.700 24.219 0.797 1.00 43.03 C ATOM 869 CG ASN A 61 -8.454 24.776 2.191 1.00 13.31 C ATOM 870 OD1 ASN A 61 -9.357 24.922 3.016 1.00 3.32 O ATOM 871 ND2 ASN A 61 -7.202 25.067 2.499 1.00 72.41 N ATOM 0 H ASN A 61 -9.490 21.927 1.721 1.00 3.33 H new ATOM 0 HA ASN A 61 -10.811 24.354 0.787 1.00 45.11 H new ATOM 0 HB2 ASN A 61 -7.932 23.477 0.581 1.00 43.03 H new ATOM 0 HB3 ASN A 61 -8.576 25.026 0.075 1.00 43.03 H new ATOM 0 HD21 ASN A 61 -6.974 25.417 3.429 1.00 72.41 H new ATOM 0 HD22 ASN A 61 -6.464 24.941 1.806 1.00 72.41 H new ATOM 877 N LYS A 62 -9.354 22.041 -1.163 1.00 53.42 N ATOM 878 CA LYS A 62 -9.042 21.592 -2.512 1.00 22.41 C ATOM 879 C LYS A 62 -9.251 20.081 -2.663 1.00 73.14 C ATOM 880 O LYS A 62 -9.615 19.409 -1.694 1.00 42.11 O ATOM 881 CB LYS A 62 -7.601 22.065 -2.832 1.00 44.41 C ATOM 882 CG LYS A 62 -7.587 23.145 -3.921 1.00 13.00 C ATOM 883 CD LYS A 62 -7.936 22.493 -5.257 1.00 51.24 C ATOM 884 CE LYS A 62 -8.219 23.472 -6.387 1.00 71.54 C ATOM 885 NZ LYS A 62 -8.378 22.718 -7.644 1.00 20.24 N ATOM 0 H LYS A 62 -8.869 21.498 -0.449 1.00 53.42 H new ATOM 0 HA LYS A 62 -9.722 22.029 -3.243 1.00 22.41 H new ATOM 0 HB2 LYS A 62 -7.137 22.455 -1.926 1.00 44.41 H new ATOM 0 HB3 LYS A 62 -7.002 21.214 -3.156 1.00 44.41 H new ATOM 0 HG2 LYS A 62 -8.305 23.930 -3.684 1.00 13.00 H new ATOM 0 HG3 LYS A 62 -6.605 23.616 -3.975 1.00 13.00 H new ATOM 0 HD2 LYS A 62 -7.113 21.843 -5.555 1.00 51.24 H new ATOM 0 HD3 LYS A 62 -8.810 21.857 -5.118 1.00 51.24 H new ATOM 0 HE2 LYS A 62 -9.122 24.043 -6.173 1.00 71.54 H new ATOM 0 HE3 LYS A 62 -7.403 24.189 -6.478 1.00 71.54 H new ATOM 0 HZ1 LYS A 62 -7.573 22.917 -8.272 1.00 20.24 H new ATOM 0 HZ2 LYS A 62 -8.411 21.700 -7.436 1.00 20.24 H new ATOM 0 HZ3 LYS A 62 -9.261 23.005 -8.112 1.00 20.24 H new ATOM 895 N ASP A 63 -9.121 19.580 -3.892 1.00 1.30 N ATOM 896 CA ASP A 63 -9.425 18.228 -4.362 1.00 11.33 C ATOM 897 C ASP A 63 -8.353 17.205 -3.949 1.00 43.24 C ATOM 898 O ASP A 63 -7.771 17.330 -2.870 1.00 53.25 O ATOM 899 CB ASP A 63 -9.756 18.257 -5.869 1.00 23.31 C ATOM 900 CG ASP A 63 -8.630 18.739 -6.784 1.00 13.24 C ATOM 901 OD1 ASP A 63 -8.434 19.972 -6.871 1.00 4.41 O ATOM 902 OD2 ASP A 63 -8.024 17.910 -7.500 1.00 54.03 O ATOM 0 H ASP A 63 -8.769 20.162 -4.652 1.00 1.30 H new ATOM 0 HA ASP A 63 -10.322 17.867 -3.859 1.00 11.33 H new ATOM 0 HB2 ASP A 63 -10.046 17.253 -6.178 1.00 23.31 H new ATOM 0 HB3 ASP A 63 -10.623 18.900 -6.020 1.00 23.31 H new ATOM 906 N PHE A 64 -8.196 16.105 -4.696 1.00 0.41 N ATOM 907 CA PHE A 64 -7.261 15.020 -4.399 1.00 72.52 C ATOM 908 C PHE A 64 -6.449 14.664 -5.652 1.00 23.20 C ATOM 909 O PHE A 64 -6.928 14.876 -6.771 1.00 0.13 O ATOM 910 CB PHE A 64 -8.004 13.799 -3.829 1.00 41.23 C ATOM 911 CG PHE A 64 -9.250 13.343 -4.563 1.00 13.03 C ATOM 912 CD1 PHE A 64 -9.149 12.557 -5.727 1.00 60.53 C ATOM 913 CD2 PHE A 64 -10.522 13.661 -4.050 1.00 72.51 C ATOM 914 CE1 PHE A 64 -10.307 12.057 -6.348 1.00 10.13 C ATOM 915 CE2 PHE A 64 -11.676 13.165 -4.678 1.00 64.24 C ATOM 916 CZ PHE A 64 -11.574 12.348 -5.816 1.00 22.53 C ATOM 0 H PHE A 64 -8.733 15.944 -5.548 1.00 0.41 H new ATOM 0 HA PHE A 64 -6.561 15.355 -3.633 1.00 72.52 H new ATOM 0 HB2 PHE A 64 -7.305 12.963 -3.797 1.00 41.23 H new ATOM 0 HB3 PHE A 64 -8.281 14.023 -2.799 1.00 41.23 H new ATOM 0 HD1 PHE A 64 -8.178 12.337 -6.145 1.00 60.53 H new ATOM 0 HD2 PHE A 64 -10.610 14.286 -3.174 1.00 72.51 H new ATOM 0 HE1 PHE A 64 -10.222 11.448 -7.236 1.00 10.13 H new ATOM 0 HE2 PHE A 64 -12.650 13.414 -4.283 1.00 64.24 H new ATOM 0 HZ PHE A 64 -12.463 11.946 -6.279 1.00 22.53 H new ATOM 925 N PRO A 65 -5.222 14.133 -5.486 1.00 15.23 N ATOM 926 CA PRO A 65 -4.248 14.079 -6.565 1.00 55.43 C ATOM 927 C PRO A 65 -4.572 12.996 -7.595 1.00 71.34 C ATOM 928 O PRO A 65 -4.849 11.847 -7.248 1.00 0.23 O ATOM 929 CB PRO A 65 -2.916 13.807 -5.875 1.00 23.42 C ATOM 930 CG PRO A 65 -3.288 13.046 -4.608 1.00 60.45 C ATOM 931 CD PRO A 65 -4.599 13.725 -4.225 1.00 42.25 C ATOM 0 HA PRO A 65 -4.239 15.008 -7.135 1.00 55.43 H new ATOM 0 HB2 PRO A 65 -2.253 13.219 -6.510 1.00 23.42 H new ATOM 0 HB3 PRO A 65 -2.394 14.735 -5.641 1.00 23.42 H new ATOM 0 HG2 PRO A 65 -3.416 11.979 -4.792 1.00 60.45 H new ATOM 0 HG3 PRO A 65 -2.531 13.147 -3.831 1.00 60.45 H new ATOM 0 HD2 PRO A 65 -5.245 13.043 -3.672 1.00 42.25 H new ATOM 0 HD3 PRO A 65 -4.420 14.586 -3.581 1.00 42.25 H new ATOM 936 N GLU A 66 -4.469 13.347 -8.874 1.00 3.43 N ATOM 937 CA GLU A 66 -4.758 12.455 -9.990 1.00 42.42 C ATOM 938 C GLU A 66 -3.714 11.340 -10.080 1.00 1.33 C ATOM 939 O GLU A 66 -2.534 11.620 -10.318 1.00 62.25 O ATOM 940 CB GLU A 66 -4.779 13.246 -11.302 1.00 55.02 C ATOM 941 CG GLU A 66 -6.005 14.155 -11.428 1.00 42.14 C ATOM 942 CD GLU A 66 -6.143 14.636 -12.871 1.00 64.12 C ATOM 943 OE1 GLU A 66 -5.265 15.404 -13.337 1.00 64.34 O ATOM 944 OE2 GLU A 66 -7.029 14.122 -13.599 1.00 55.34 O ATOM 0 H GLU A 66 -4.176 14.279 -9.168 1.00 3.43 H new ATOM 0 HA GLU A 66 -5.736 12.004 -9.821 1.00 42.42 H new ATOM 0 HB2 GLU A 66 -3.875 13.851 -11.370 1.00 55.02 H new ATOM 0 HB3 GLU A 66 -4.761 12.550 -12.141 1.00 55.02 H new ATOM 0 HG2 GLU A 66 -6.903 13.615 -11.127 1.00 42.14 H new ATOM 0 HG3 GLU A 66 -5.907 15.009 -10.758 1.00 42.14 H new ATOM 949 N ILE A 67 -4.140 10.084 -9.919 1.00 21.32 N ATOM 950 CA ILE A 67 -3.321 8.914 -10.232 1.00 53.13 C ATOM 951 C ILE A 67 -3.363 8.663 -11.739 1.00 11.41 C ATOM 952 O ILE A 67 -4.362 8.929 -12.412 1.00 52.51 O ATOM 953 CB ILE A 67 -3.775 7.649 -9.458 1.00 32.14 C ATOM 954 CG1 ILE A 67 -5.267 7.297 -9.686 1.00 62.55 C ATOM 955 CG2 ILE A 67 -3.458 7.833 -7.968 1.00 1.01 C ATOM 956 CD1 ILE A 67 -5.704 5.969 -9.063 1.00 72.31 C ATOM 0 H ILE A 67 -5.068 9.851 -9.566 1.00 21.32 H new ATOM 0 HA ILE A 67 -2.299 9.123 -9.915 1.00 53.13 H new ATOM 0 HB ILE A 67 -3.218 6.797 -9.849 1.00 32.14 H new ATOM 0 HG12 ILE A 67 -5.884 8.097 -9.276 1.00 62.55 H new ATOM 0 HG13 ILE A 67 -5.460 7.263 -10.758 1.00 62.55 H new ATOM 0 HG21 ILE A 67 -3.774 6.948 -7.417 1.00 1.01 H new ATOM 0 HG22 ILE A 67 -2.385 7.977 -7.839 1.00 1.01 H new ATOM 0 HG23 ILE A 67 -3.989 8.706 -7.588 1.00 1.01 H new ATOM 0 HD11 ILE A 67 -6.761 5.800 -9.270 1.00 72.31 H new ATOM 0 HD12 ILE A 67 -5.116 5.156 -9.490 1.00 72.31 H new ATOM 0 HD13 ILE A 67 -5.546 6.003 -7.985 1.00 72.31 H new ATOM 967 N GLN A 68 -2.299 8.054 -12.254 1.00 14.52 N ATOM 968 CA GLN A 68 -2.128 7.752 -13.673 1.00 54.13 C ATOM 969 C GLN A 68 -2.083 6.232 -13.863 1.00 61.03 C ATOM 970 O GLN A 68 -1.271 5.702 -14.619 1.00 11.41 O ATOM 971 CB GLN A 68 -0.894 8.485 -14.214 1.00 3.22 C ATOM 972 CG GLN A 68 -0.736 9.921 -13.694 1.00 33.03 C ATOM 973 CD GLN A 68 -1.881 10.841 -14.091 1.00 42.52 C ATOM 974 OE1 GLN A 68 -2.430 10.734 -15.183 1.00 31.31 O ATOM 975 NE2 GLN A 68 -2.296 11.765 -13.246 1.00 33.22 N ATOM 0 H GLN A 68 -1.511 7.749 -11.682 1.00 14.52 H new ATOM 0 HA GLN A 68 -2.974 8.115 -14.257 1.00 54.13 H new ATOM 0 HB2 GLN A 68 -0.003 7.915 -13.951 1.00 3.22 H new ATOM 0 HB3 GLN A 68 -0.948 8.509 -15.302 1.00 3.22 H new ATOM 0 HG2 GLN A 68 -0.659 9.899 -12.607 1.00 33.03 H new ATOM 0 HG3 GLN A 68 0.199 10.335 -14.071 1.00 33.03 H new ATOM 0 HE21 GLN A 68 -1.846 11.862 -12.336 1.00 33.22 H new ATOM 0 HE22 GLN A 68 -3.066 12.382 -13.503 1.00 33.22 H new ATOM 982 N LEU A 69 -2.905 5.540 -13.074 1.00 14.32 N ATOM 983 CA LEU A 69 -2.910 4.091 -12.892 1.00 75.12 C ATOM 984 C LEU A 69 -4.165 3.458 -13.499 1.00 22.34 C ATOM 985 O LEU A 69 -5.198 4.115 -13.628 1.00 44.41 O ATOM 986 CB LEU A 69 -2.847 3.797 -11.385 1.00 43.12 C ATOM 987 CG LEU A 69 -2.499 2.341 -11.019 1.00 1.14 C ATOM 988 CD1 LEU A 69 -1.047 2.008 -11.369 1.00 61.33 C ATOM 989 CD2 LEU A 69 -2.744 2.165 -9.522 1.00 21.40 C ATOM 0 H LEU A 69 -3.623 6.001 -12.515 1.00 14.32 H new ATOM 0 HA LEU A 69 -2.049 3.661 -13.403 1.00 75.12 H new ATOM 0 HB2 LEU A 69 -2.107 4.456 -10.932 1.00 43.12 H new ATOM 0 HB3 LEU A 69 -3.810 4.047 -10.941 1.00 43.12 H new ATOM 0 HG LEU A 69 -3.126 1.659 -11.592 1.00 1.14 H new ATOM 0 HD11 LEU A 69 -0.835 0.974 -11.098 1.00 61.33 H new ATOM 0 HD12 LEU A 69 -0.891 2.142 -12.439 1.00 61.33 H new ATOM 0 HD13 LEU A 69 -0.379 2.671 -10.819 1.00 61.33 H new ATOM 0 HD21 LEU A 69 -2.506 1.142 -9.232 1.00 21.40 H new ATOM 0 HD22 LEU A 69 -2.111 2.856 -8.966 1.00 21.40 H new ATOM 0 HD23 LEU A 69 -3.791 2.371 -9.298 1.00 21.40 H new ATOM 1000 N ASP A 70 -4.068 2.175 -13.828 1.00 44.25 N ATOM 1001 CA ASP A 70 -5.083 1.325 -14.452 1.00 11.14 C ATOM 1002 C ASP A 70 -6.092 0.816 -13.422 1.00 40.24 C ATOM 1003 O ASP A 70 -5.804 0.865 -12.225 1.00 22.21 O ATOM 1004 CB ASP A 70 -4.408 0.074 -15.039 1.00 62.15 C ATOM 1005 CG ASP A 70 -3.046 0.328 -15.667 1.00 15.52 C ATOM 1006 OD1 ASP A 70 -2.038 0.400 -14.925 1.00 11.30 O ATOM 1007 OD2 ASP A 70 -2.996 0.477 -16.911 1.00 23.03 O ATOM 0 H ASP A 70 -3.207 1.657 -13.652 1.00 44.25 H new ATOM 0 HA ASP A 70 -5.583 1.924 -15.213 1.00 11.14 H new ATOM 0 HB2 ASP A 70 -4.297 -0.668 -14.248 1.00 62.15 H new ATOM 0 HB3 ASP A 70 -5.066 -0.359 -15.792 1.00 62.15 H new ATOM 1011 N ASN A 71 -7.212 0.226 -13.864 1.00 73.01 N ATOM 1012 CA ASN A 71 -8.127 -0.513 -12.989 1.00 22.14 C ATOM 1013 C ASN A 71 -7.745 -1.988 -12.921 1.00 74.32 C ATOM 1014 O ASN A 71 -7.443 -2.598 -13.953 1.00 14.40 O ATOM 1015 CB ASN A 71 -9.590 -0.372 -13.443 1.00 71.41 C ATOM 1016 CG ASN A 71 -10.518 -0.687 -12.279 1.00 0.12 C ATOM 1017 OD1 ASN A 71 -10.693 0.171 -11.415 1.00 14.54 O ATOM 1018 ND2 ASN A 71 -11.062 -1.889 -12.170 1.00 55.15 N ATOM 0 H ASN A 71 -7.507 0.249 -14.840 1.00 73.01 H new ATOM 0 HA ASN A 71 -8.037 -0.077 -11.994 1.00 22.14 H new ATOM 0 HB2 ASN A 71 -9.773 0.640 -13.804 1.00 71.41 H new ATOM 0 HB3 ASN A 71 -9.790 -1.048 -14.274 1.00 71.41 H new ATOM 0 HD21 ASN A 71 -11.638 -2.117 -11.359 1.00 55.15 H new ATOM 0 HD22 ASN A 71 -10.906 -2.587 -12.897 1.00 55.15 H new ATOM 1024 N ILE A 72 -7.761 -2.582 -11.727 1.00 54.52 N ATOM 1025 CA ILE A 72 -7.415 -3.978 -11.465 1.00 4.34 C ATOM 1026 C ILE A 72 -8.417 -4.487 -10.432 1.00 33.10 C ATOM 1027 O ILE A 72 -8.830 -3.752 -9.531 1.00 62.25 O ATOM 1028 CB ILE A 72 -5.941 -4.084 -10.993 1.00 43.32 C ATOM 1029 CG1 ILE A 72 -4.994 -3.659 -12.139 1.00 20.42 C ATOM 1030 CG2 ILE A 72 -5.586 -5.503 -10.504 1.00 74.03 C ATOM 1031 CD1 ILE A 72 -3.523 -3.557 -11.750 1.00 4.10 C ATOM 0 H ILE A 72 -8.027 -2.080 -10.880 1.00 54.52 H new ATOM 0 HA ILE A 72 -7.479 -4.596 -12.361 1.00 4.34 H new ATOM 0 HB ILE A 72 -5.816 -3.412 -10.144 1.00 43.32 H new ATOM 0 HG12 ILE A 72 -5.090 -4.375 -12.955 1.00 20.42 H new ATOM 0 HG13 ILE A 72 -5.322 -2.693 -12.522 1.00 20.42 H new ATOM 0 HG21 ILE A 72 -4.544 -5.528 -10.184 1.00 74.03 H new ATOM 0 HG22 ILE A 72 -6.229 -5.771 -9.666 1.00 74.03 H new ATOM 0 HG23 ILE A 72 -5.733 -6.215 -11.316 1.00 74.03 H new ATOM 0 HD11 ILE A 72 -2.937 -3.253 -12.618 1.00 4.10 H new ATOM 0 HD12 ILE A 72 -3.407 -2.818 -10.957 1.00 4.10 H new ATOM 0 HD13 ILE A 72 -3.172 -4.527 -11.397 1.00 4.10 H new ATOM 1042 N ASP A 73 -8.810 -5.754 -10.555 1.00 35.21 N ATOM 1043 CA ASP A 73 -9.691 -6.396 -9.598 1.00 63.42 C ATOM 1044 C ASP A 73 -8.841 -6.982 -8.479 1.00 75.23 C ATOM 1045 O ASP A 73 -8.324 -8.096 -8.550 1.00 34.41 O ATOM 1046 CB ASP A 73 -10.644 -7.373 -10.283 1.00 52.24 C ATOM 1047 CG ASP A 73 -11.909 -6.618 -10.699 1.00 22.44 C ATOM 1048 OD1 ASP A 73 -12.589 -6.047 -9.815 1.00 54.35 O ATOM 1049 OD2 ASP A 73 -12.187 -6.520 -11.914 1.00 45.34 O ATOM 0 H ASP A 73 -8.523 -6.359 -11.324 1.00 35.21 H new ATOM 0 HA ASP A 73 -10.363 -5.674 -9.135 1.00 63.42 H new ATOM 0 HB2 ASP A 73 -10.166 -7.818 -11.156 1.00 52.24 H new ATOM 0 HB3 ASP A 73 -10.897 -8.190 -9.607 1.00 52.24 H new ATOM 1053 N TYR A 74 -8.646 -6.174 -7.444 1.00 24.12 N ATOM 1054 CA TYR A 74 -7.824 -6.469 -6.287 1.00 54.44 C ATOM 1055 C TYR A 74 -8.452 -7.517 -5.375 1.00 35.31 C ATOM 1056 O TYR A 74 -7.754 -8.042 -4.515 1.00 31.40 O ATOM 1057 CB TYR A 74 -7.615 -5.177 -5.500 1.00 23.10 C ATOM 1058 CG TYR A 74 -6.832 -4.122 -6.254 1.00 51.42 C ATOM 1059 CD1 TYR A 74 -5.488 -4.370 -6.564 1.00 62.14 C ATOM 1060 CD2 TYR A 74 -7.426 -2.909 -6.647 1.00 64.44 C ATOM 1061 CE1 TYR A 74 -4.736 -3.427 -7.286 1.00 75.44 C ATOM 1062 CE2 TYR A 74 -6.681 -1.971 -7.382 1.00 55.51 C ATOM 1063 CZ TYR A 74 -5.332 -2.229 -7.721 1.00 42.15 C ATOM 1064 OH TYR A 74 -4.594 -1.339 -8.444 1.00 63.05 O ATOM 0 H TYR A 74 -9.080 -5.252 -7.391 1.00 24.12 H new ATOM 0 HA TYR A 74 -6.877 -6.876 -6.642 1.00 54.44 H new ATOM 0 HB2 TYR A 74 -8.588 -4.768 -5.226 1.00 23.10 H new ATOM 0 HB3 TYR A 74 -7.094 -5.409 -4.571 1.00 23.10 H new ATOM 0 HD1 TYR A 74 -5.026 -5.293 -6.246 1.00 62.14 H new ATOM 0 HD2 TYR A 74 -8.452 -2.699 -6.384 1.00 64.44 H new ATOM 0 HE1 TYR A 74 -3.697 -3.623 -7.508 1.00 75.44 H new ATOM 0 HE2 TYR A 74 -7.143 -1.045 -7.691 1.00 55.51 H new ATOM 0 HH TYR A 74 -5.148 -0.563 -8.670 1.00 63.05 H new ATOM 1073 N ASN A 75 -9.737 -7.857 -5.551 1.00 11.50 N ATOM 1074 CA ASN A 75 -10.402 -8.784 -4.634 1.00 20.34 C ATOM 1075 C ASN A 75 -9.761 -10.177 -4.641 1.00 22.43 C ATOM 1076 O ASN A 75 -9.906 -10.946 -3.698 1.00 31.14 O ATOM 1077 CB ASN A 75 -11.908 -8.862 -4.889 1.00 63.04 C ATOM 1078 CG ASN A 75 -12.603 -9.470 -3.676 1.00 12.52 C ATOM 1079 OD1 ASN A 75 -12.930 -10.650 -3.646 1.00 5.20 O ATOM 1080 ND2 ASN A 75 -12.823 -8.699 -2.624 1.00 63.14 N ATOM 0 H ASN A 75 -10.326 -7.509 -6.308 1.00 11.50 H new ATOM 0 HA ASN A 75 -10.261 -8.375 -3.634 1.00 20.34 H new ATOM 0 HB2 ASN A 75 -12.305 -7.866 -5.087 1.00 63.04 H new ATOM 0 HB3 ASN A 75 -12.106 -9.466 -5.774 1.00 63.04 H new ATOM 0 HD21 ASN A 75 -13.264 -9.087 -1.790 1.00 63.14 H new ATOM 0 HD22 ASN A 75 -12.552 -7.716 -2.646 1.00 63.14 H new ATOM 1086 N ASN A 76 -8.997 -10.492 -5.690 1.00 24.11 N ATOM 1087 CA ASN A 76 -8.313 -11.762 -5.883 1.00 14.22 C ATOM 1088 C ASN A 76 -7.054 -11.938 -5.009 1.00 74.13 C ATOM 1089 O ASN A 76 -6.301 -12.890 -5.239 1.00 35.10 O ATOM 1090 CB ASN A 76 -7.913 -11.915 -7.359 1.00 64.41 C ATOM 1091 CG ASN A 76 -9.029 -11.733 -8.372 1.00 0.51 C ATOM 1092 OD1 ASN A 76 -9.985 -12.505 -8.432 1.00 64.21 O ATOM 1093 ND2 ASN A 76 -8.938 -10.722 -9.216 1.00 15.50 N ATOM 0 H ASN A 76 -8.835 -9.839 -6.456 1.00 24.11 H new ATOM 0 HA ASN A 76 -9.022 -12.532 -5.578 1.00 14.22 H new ATOM 0 HB2 ASN A 76 -7.128 -11.192 -7.579 1.00 64.41 H new ATOM 0 HB3 ASN A 76 -7.481 -12.906 -7.497 1.00 64.41 H new ATOM 0 HD21 ASN A 76 -9.662 -10.579 -9.921 1.00 15.50 H new ATOM 0 HD22 ASN A 76 -8.144 -10.084 -9.164 1.00 15.50 H new ATOM 1099 N TYR A 77 -6.749 -11.033 -4.076 1.00 60.14 N ATOM 1100 CA TYR A 77 -5.480 -10.975 -3.346 1.00 12.42 C ATOM 1101 C TYR A 77 -5.767 -11.057 -1.846 1.00 12.40 C ATOM 1102 O TYR A 77 -6.696 -10.418 -1.350 1.00 0.14 O ATOM 1103 CB TYR A 77 -4.716 -9.722 -3.773 1.00 31.43 C ATOM 1104 CG TYR A 77 -4.255 -9.785 -5.223 1.00 35.31 C ATOM 1105 CD1 TYR A 77 -5.105 -9.373 -6.268 1.00 51.34 C ATOM 1106 CD2 TYR A 77 -2.989 -10.311 -5.533 1.00 61.21 C ATOM 1107 CE1 TYR A 77 -4.699 -9.465 -7.612 1.00 0.20 C ATOM 1108 CE2 TYR A 77 -2.562 -10.399 -6.870 1.00 4.40 C ATOM 1109 CZ TYR A 77 -3.412 -9.965 -7.913 1.00 35.22 C ATOM 1110 OH TYR A 77 -2.966 -10.029 -9.197 1.00 35.11 O ATOM 0 H TYR A 77 -7.399 -10.297 -3.799 1.00 60.14 H new ATOM 0 HA TYR A 77 -4.835 -11.821 -3.583 1.00 12.42 H new ATOM 0 HB2 TYR A 77 -5.352 -8.848 -3.635 1.00 31.43 H new ATOM 0 HB3 TYR A 77 -3.849 -9.591 -3.125 1.00 31.43 H new ATOM 0 HD1 TYR A 77 -6.084 -8.980 -6.034 1.00 51.34 H new ATOM 0 HD2 TYR A 77 -2.340 -10.650 -4.739 1.00 61.21 H new ATOM 0 HE1 TYR A 77 -5.364 -9.157 -8.405 1.00 0.20 H new ATOM 0 HE2 TYR A 77 -1.585 -10.798 -7.100 1.00 4.40 H new ATOM 0 HH TYR A 77 -2.059 -10.399 -9.210 1.00 35.11 H new ATOM 1119 N ASP A 78 -5.010 -11.893 -1.136 1.00 14.23 N ATOM 1120 CA ASP A 78 -5.126 -12.143 0.305 1.00 24.42 C ATOM 1121 C ASP A 78 -4.409 -11.055 1.098 1.00 73.45 C ATOM 1122 O ASP A 78 -4.797 -10.757 2.226 1.00 61.42 O ATOM 1123 CB ASP A 78 -4.490 -13.503 0.641 1.00 63.12 C ATOM 1124 CG ASP A 78 -4.664 -13.908 2.113 1.00 71.02 C ATOM 1125 OD1 ASP A 78 -5.826 -14.006 2.580 1.00 72.42 O ATOM 1126 OD2 ASP A 78 -3.655 -14.264 2.767 1.00 61.35 O ATOM 0 H ASP A 78 -4.265 -12.440 -1.567 1.00 14.23 H new ATOM 0 HA ASP A 78 -6.183 -12.143 0.573 1.00 24.42 H new ATOM 0 HB2 ASP A 78 -4.932 -14.270 0.006 1.00 63.12 H new ATOM 0 HB3 ASP A 78 -3.427 -13.467 0.404 1.00 63.12 H new ATOM 1130 N LEU A 79 -3.368 -10.459 0.509 1.00 33.31 N ATOM 1131 CA LEU A 79 -2.457 -9.542 1.175 1.00 15.23 C ATOM 1132 C LEU A 79 -2.039 -8.473 0.158 1.00 71.31 C ATOM 1133 O LEU A 79 -1.728 -8.796 -0.990 1.00 3.21 O ATOM 1134 CB LEU A 79 -1.254 -10.357 1.689 1.00 42.32 C ATOM 1135 CG LEU A 79 -0.594 -9.851 2.984 1.00 20.40 C ATOM 1136 CD1 LEU A 79 0.774 -10.500 3.138 1.00 2.51 C ATOM 1137 CD2 LEU A 79 -0.438 -8.329 3.097 1.00 4.53 C ATOM 0 H LEU A 79 -3.135 -10.610 -0.472 1.00 33.31 H new ATOM 0 HA LEU A 79 -2.918 -9.042 2.027 1.00 15.23 H new ATOM 0 HB2 LEU A 79 -1.580 -11.385 1.849 1.00 42.32 H new ATOM 0 HB3 LEU A 79 -0.497 -10.381 0.905 1.00 42.32 H new ATOM 0 HG LEU A 79 -1.279 -10.135 3.783 1.00 20.40 H new ATOM 0 HD11 LEU A 79 1.245 -10.144 4.054 1.00 2.51 H new ATOM 0 HD12 LEU A 79 0.660 -11.583 3.186 1.00 2.51 H new ATOM 0 HD13 LEU A 79 1.399 -10.239 2.284 1.00 2.51 H new ATOM 0 HD21 LEU A 79 0.037 -8.081 4.046 1.00 4.53 H new ATOM 0 HD22 LEU A 79 0.179 -7.965 2.276 1.00 4.53 H new ATOM 0 HD23 LEU A 79 -1.420 -7.858 3.049 1.00 4.53 H new ATOM 1148 N ILE A 80 -2.058 -7.197 0.537 1.00 15.40 N ATOM 1149 CA ILE A 80 -1.728 -6.072 -0.336 1.00 54.52 C ATOM 1150 C ILE A 80 -0.892 -5.087 0.489 1.00 72.35 C ATOM 1151 O ILE A 80 -1.435 -4.338 1.297 1.00 4.14 O ATOM 1152 CB ILE A 80 -3.005 -5.453 -0.948 1.00 4.42 C ATOM 1153 CG1 ILE A 80 -3.731 -6.497 -1.836 1.00 62.42 C ATOM 1154 CG2 ILE A 80 -2.561 -4.253 -1.793 1.00 15.51 C ATOM 1155 CD1 ILE A 80 -4.901 -5.957 -2.662 1.00 15.50 C ATOM 0 H ILE A 80 -2.309 -6.909 1.483 1.00 15.40 H new ATOM 0 HA ILE A 80 -1.139 -6.390 -1.196 1.00 54.52 H new ATOM 0 HB ILE A 80 -3.699 -5.141 -0.168 1.00 4.42 H new ATOM 0 HG12 ILE A 80 -3.003 -6.940 -2.515 1.00 62.42 H new ATOM 0 HG13 ILE A 80 -4.100 -7.299 -1.197 1.00 62.42 H new ATOM 0 HG21 ILE A 80 -3.434 -3.784 -2.246 1.00 15.51 H new ATOM 0 HG22 ILE A 80 -2.049 -3.530 -1.158 1.00 15.51 H new ATOM 0 HG23 ILE A 80 -1.883 -4.591 -2.577 1.00 15.51 H new ATOM 0 HD11 ILE A 80 -5.338 -6.767 -3.246 1.00 15.50 H new ATOM 0 HD12 ILE A 80 -5.656 -5.542 -1.995 1.00 15.50 H new ATOM 0 HD13 ILE A 80 -4.543 -5.177 -3.334 1.00 15.50 H new ATOM 1166 N LEU A 81 0.436 -5.092 0.347 1.00 75.02 N ATOM 1167 CA LEU A 81 1.269 -4.042 0.923 1.00 13.32 C ATOM 1168 C LEU A 81 1.279 -2.835 -0.001 1.00 42.52 C ATOM 1169 O LEU A 81 1.249 -2.956 -1.231 1.00 41.22 O ATOM 1170 CB LEU A 81 2.705 -4.514 1.185 1.00 20.20 C ATOM 1171 CG LEU A 81 2.791 -5.381 2.455 1.00 35.22 C ATOM 1172 CD1 LEU A 81 2.819 -6.874 2.132 1.00 34.43 C ATOM 1173 CD2 LEU A 81 4.026 -5.003 3.268 1.00 42.45 C ATOM 0 H LEU A 81 0.953 -5.810 -0.161 1.00 75.02 H new ATOM 0 HA LEU A 81 0.838 -3.772 1.887 1.00 13.32 H new ATOM 0 HB2 LEU A 81 3.063 -5.085 0.328 1.00 20.20 H new ATOM 0 HB3 LEU A 81 3.360 -3.649 1.288 1.00 20.20 H new ATOM 0 HG LEU A 81 1.893 -5.187 3.041 1.00 35.22 H new ATOM 0 HD11 LEU A 81 2.880 -7.446 3.058 1.00 34.43 H new ATOM 0 HD12 LEU A 81 1.910 -7.147 1.596 1.00 34.43 H new ATOM 0 HD13 LEU A 81 3.687 -7.096 1.511 1.00 34.43 H new ATOM 0 HD21 LEU A 81 4.076 -5.623 4.163 1.00 42.45 H new ATOM 0 HD22 LEU A 81 4.921 -5.162 2.666 1.00 42.45 H new ATOM 0 HD23 LEU A 81 3.965 -3.954 3.556 1.00 42.45 H new ATOM 1184 N ILE A 82 1.366 -1.655 0.610 1.00 41.24 N ATOM 1185 CA ILE A 82 1.341 -0.368 -0.066 1.00 11.41 C ATOM 1186 C ILE A 82 2.451 0.456 0.596 1.00 2.11 C ATOM 1187 O ILE A 82 2.749 0.265 1.775 1.00 62.32 O ATOM 1188 CB ILE A 82 -0.072 0.255 0.077 1.00 4.32 C ATOM 1189 CG1 ILE A 82 -1.187 -0.722 -0.374 1.00 34.00 C ATOM 1190 CG2 ILE A 82 -0.182 1.593 -0.682 1.00 52.21 C ATOM 1191 CD1 ILE A 82 -2.619 -0.288 -0.053 1.00 52.21 C ATOM 0 H ILE A 82 1.459 -1.570 1.622 1.00 41.24 H new ATOM 0 HA ILE A 82 1.525 -0.427 -1.139 1.00 11.41 H new ATOM 0 HB ILE A 82 -0.218 0.455 1.139 1.00 4.32 H new ATOM 0 HG12 ILE A 82 -1.104 -0.867 -1.451 1.00 34.00 H new ATOM 0 HG13 ILE A 82 -1.007 -1.690 0.093 1.00 34.00 H new ATOM 0 HG21 ILE A 82 -1.186 2.000 -0.559 1.00 52.21 H new ATOM 0 HG22 ILE A 82 0.547 2.299 -0.283 1.00 52.21 H new ATOM 0 HG23 ILE A 82 0.015 1.428 -1.741 1.00 52.21 H new ATOM 0 HD11 ILE A 82 -3.317 -1.044 -0.412 1.00 52.21 H new ATOM 0 HD12 ILE A 82 -2.731 -0.173 1.025 1.00 52.21 H new ATOM 0 HD13 ILE A 82 -2.830 0.663 -0.543 1.00 52.21 H new ATOM 1202 N GLY A 83 3.080 1.375 -0.131 1.00 32.10 N ATOM 1203 CA GLY A 83 4.104 2.253 0.410 1.00 60.21 C ATOM 1204 C GLY A 83 3.836 3.669 -0.035 1.00 53.25 C ATOM 1205 O GLY A 83 3.031 3.889 -0.949 1.00 0.13 O ATOM 0 H GLY A 83 2.889 1.530 -1.121 1.00 32.10 H new ATOM 0 HA2 GLY A 83 4.109 2.197 1.499 1.00 60.21 H new ATOM 0 HA3 GLY A 83 5.089 1.934 0.070 1.00 60.21 H new ATOM 1209 N SER A 84 4.494 4.639 0.593 1.00 21.22 N ATOM 1210 CA SER A 84 4.550 6.007 0.111 1.00 32.34 C ATOM 1211 C SER A 84 5.686 6.765 0.822 1.00 42.25 C ATOM 1212 O SER A 84 6.191 6.310 1.850 1.00 14.00 O ATOM 1213 CB SER A 84 3.207 6.726 0.314 1.00 12.02 C ATOM 1214 OG SER A 84 2.119 5.894 0.671 1.00 4.02 O ATOM 0 H SER A 84 5.008 4.491 1.461 1.00 21.22 H new ATOM 0 HA SER A 84 4.752 5.987 -0.960 1.00 32.34 H new ATOM 0 HB2 SER A 84 3.333 7.482 1.089 1.00 12.02 H new ATOM 0 HB3 SER A 84 2.953 7.252 -0.607 1.00 12.02 H new ATOM 0 HG SER A 84 1.749 6.189 1.529 1.00 4.02 H new ATOM 1219 N PRO A 85 6.091 7.930 0.292 1.00 14.10 N ATOM 1220 CA PRO A 85 7.000 8.856 0.950 1.00 60.24 C ATOM 1221 C PRO A 85 6.290 9.547 2.109 1.00 1.03 C ATOM 1222 O PRO A 85 5.141 9.979 1.978 1.00 12.04 O ATOM 1223 CB PRO A 85 7.373 9.890 -0.119 1.00 51.15 C ATOM 1224 CG PRO A 85 6.147 9.890 -1.029 1.00 33.52 C ATOM 1225 CD PRO A 85 5.696 8.445 -1.000 1.00 52.13 C ATOM 0 HA PRO A 85 7.876 8.348 1.353 1.00 60.24 H new ATOM 0 HB2 PRO A 85 7.555 10.873 0.315 1.00 51.15 H new ATOM 0 HB3 PRO A 85 8.277 9.607 -0.658 1.00 51.15 H new ATOM 0 HG2 PRO A 85 5.372 10.561 -0.660 1.00 33.52 H new ATOM 0 HG3 PRO A 85 6.395 10.214 -2.040 1.00 33.52 H new ATOM 0 HD2 PRO A 85 4.617 8.370 -1.137 1.00 52.13 H new ATOM 0 HD3 PRO A 85 6.160 7.875 -1.805 1.00 52.13 H new ATOM 1230 N VAL A 86 7.000 9.726 3.217 1.00 42.42 N ATOM 1231 CA VAL A 86 6.644 10.721 4.215 1.00 35.50 C ATOM 1232 C VAL A 86 6.940 12.110 3.583 1.00 43.21 C ATOM 1233 O VAL A 86 7.765 12.207 2.672 1.00 54.35 O ATOM 1234 CB VAL A 86 7.473 10.472 5.492 1.00 12.14 C ATOM 1235 CG1 VAL A 86 7.130 11.429 6.639 1.00 35.42 C ATOM 1236 CG2 VAL A 86 7.297 9.044 6.035 1.00 12.30 C ATOM 0 H VAL A 86 7.835 9.187 3.446 1.00 42.42 H new ATOM 0 HA VAL A 86 5.594 10.670 4.502 1.00 35.50 H new ATOM 0 HB VAL A 86 8.501 10.640 5.171 1.00 12.14 H new ATOM 0 HG11 VAL A 86 7.750 11.197 7.505 1.00 35.42 H new ATOM 0 HG12 VAL A 86 7.316 12.456 6.324 1.00 35.42 H new ATOM 0 HG13 VAL A 86 6.079 11.316 6.905 1.00 35.42 H new ATOM 0 HG21 VAL A 86 7.901 8.920 6.934 1.00 12.30 H new ATOM 0 HG22 VAL A 86 6.248 8.873 6.276 1.00 12.30 H new ATOM 0 HG23 VAL A 86 7.617 8.326 5.280 1.00 12.30 H new ATOM 1246 N TRP A 87 6.348 13.197 4.084 1.00 23.41 N ATOM 1247 CA TRP A 87 6.690 14.591 3.768 1.00 23.44 C ATOM 1248 C TRP A 87 6.761 15.370 5.097 1.00 73.51 C ATOM 1249 O TRP A 87 6.869 14.746 6.159 1.00 40.24 O ATOM 1250 CB TRP A 87 5.685 15.180 2.754 1.00 0.01 C ATOM 1251 CG TRP A 87 6.246 15.626 1.427 1.00 72.34 C ATOM 1252 CD1 TRP A 87 6.871 16.791 1.134 1.00 55.24 C ATOM 1253 CD2 TRP A 87 6.203 14.898 0.165 1.00 63.13 C ATOM 1254 NE1 TRP A 87 7.138 16.860 -0.226 1.00 2.14 N ATOM 1255 CE2 TRP A 87 6.801 15.692 -0.856 1.00 52.23 C ATOM 1256 CE3 TRP A 87 5.665 13.661 -0.232 1.00 24.22 C ATOM 1257 CZ2 TRP A 87 6.903 15.270 -2.187 1.00 40.41 C ATOM 1258 CZ3 TRP A 87 5.698 13.260 -1.577 1.00 73.54 C ATOM 1259 CH2 TRP A 87 6.333 14.043 -2.555 1.00 74.22 C ATOM 0 H TRP A 87 5.581 13.129 4.753 1.00 23.41 H new ATOM 0 HA TRP A 87 7.662 14.663 3.280 1.00 23.44 H new ATOM 0 HB2 TRP A 87 4.915 14.432 2.564 1.00 0.01 H new ATOM 0 HB3 TRP A 87 5.192 16.034 3.220 1.00 0.01 H new ATOM 0 HD1 TRP A 87 7.125 17.555 1.854 1.00 55.24 H new ATOM 0 HE1 TRP A 87 7.534 17.675 -0.695 1.00 2.14 H new ATOM 0 HE3 TRP A 87 5.221 13.011 0.507 1.00 24.22 H new ATOM 0 HZ2 TRP A 87 7.413 15.880 -2.918 1.00 40.41 H new ATOM 0 HZ3 TRP A 87 5.226 12.332 -1.865 1.00 73.54 H new ATOM 0 HH2 TRP A 87 6.382 13.704 -3.579 1.00 74.22 H new ATOM 1269 N SER A 88 6.748 16.708 5.066 1.00 74.45 N ATOM 1270 CA SER A 88 6.786 17.583 6.236 1.00 33.33 C ATOM 1271 C SER A 88 5.524 17.383 7.092 1.00 12.23 C ATOM 1272 O SER A 88 4.529 18.098 6.964 1.00 1.22 O ATOM 1273 CB SER A 88 6.991 19.056 5.835 1.00 3.00 C ATOM 1274 OG SER A 88 7.662 19.205 4.594 1.00 75.35 O ATOM 0 H SER A 88 6.709 17.228 4.189 1.00 74.45 H new ATOM 0 HA SER A 88 7.647 17.308 6.845 1.00 33.33 H new ATOM 0 HB2 SER A 88 6.021 19.550 5.779 1.00 3.00 H new ATOM 0 HB3 SER A 88 7.562 19.563 6.613 1.00 3.00 H new ATOM 0 HG SER A 88 7.364 20.031 4.158 1.00 75.35 H new ATOM 1279 N GLY A 89 5.565 16.357 7.934 1.00 53.32 N ATOM 1280 CA GLY A 89 4.529 15.930 8.852 1.00 11.22 C ATOM 1281 C GLY A 89 3.639 14.851 8.264 1.00 71.11 C ATOM 1282 O GLY A 89 3.360 13.872 8.959 1.00 33.10 O ATOM 0 H GLY A 89 6.389 15.759 7.993 1.00 53.32 H new ATOM 0 HA2 GLY A 89 4.990 15.557 9.767 1.00 11.22 H new ATOM 0 HA3 GLY A 89 3.918 16.789 9.130 1.00 11.22 H new ATOM 1286 N TYR A 90 3.200 14.994 7.011 1.00 73.15 N ATOM 1287 CA TYR A 90 2.152 14.155 6.439 1.00 72.45 C ATOM 1288 C TYR A 90 2.636 13.701 5.060 1.00 53.42 C ATOM 1289 O TYR A 90 3.563 14.318 4.537 1.00 11.41 O ATOM 1290 CB TYR A 90 0.838 14.958 6.337 1.00 2.42 C ATOM 1291 CG TYR A 90 0.576 16.000 7.422 1.00 31.21 C ATOM 1292 CD1 TYR A 90 0.563 15.641 8.786 1.00 23.22 C ATOM 1293 CD2 TYR A 90 0.348 17.344 7.062 1.00 64.34 C ATOM 1294 CE1 TYR A 90 0.349 16.616 9.780 1.00 2.20 C ATOM 1295 CE2 TYR A 90 0.110 18.318 8.049 1.00 41.35 C ATOM 1296 CZ TYR A 90 0.104 17.960 9.414 1.00 12.00 C ATOM 1297 OH TYR A 90 -0.157 18.909 10.356 1.00 43.12 O ATOM 0 H TYR A 90 3.563 15.696 6.367 1.00 73.15 H new ATOM 0 HA TYR A 90 1.953 13.285 7.065 1.00 72.45 H new ATOM 0 HB2 TYR A 90 0.824 15.464 5.371 1.00 2.42 H new ATOM 0 HB3 TYR A 90 0.008 14.251 6.339 1.00 2.42 H new ATOM 0 HD1 TYR A 90 0.718 14.611 9.070 1.00 23.22 H new ATOM 0 HD2 TYR A 90 0.356 17.628 6.020 1.00 64.34 H new ATOM 0 HE1 TYR A 90 0.372 16.337 10.823 1.00 2.20 H new ATOM 0 HE2 TYR A 90 -0.069 19.343 7.761 1.00 41.35 H new ATOM 0 HH TYR A 90 -0.299 19.774 9.918 1.00 43.12 H new ATOM 1306 N PRO A 91 2.065 12.658 4.441 1.00 11.00 N ATOM 1307 CA PRO A 91 2.327 12.351 3.042 1.00 32.44 C ATOM 1308 C PRO A 91 1.782 13.432 2.120 1.00 4.30 C ATOM 1309 O PRO A 91 0.878 14.181 2.482 1.00 4.34 O ATOM 1310 CB PRO A 91 1.594 11.042 2.748 1.00 60.13 C ATOM 1311 CG PRO A 91 0.520 10.964 3.832 1.00 74.35 C ATOM 1312 CD PRO A 91 1.153 11.690 5.016 1.00 22.41 C ATOM 0 HA PRO A 91 3.401 12.282 2.870 1.00 32.44 H new ATOM 0 HB2 PRO A 91 1.154 11.047 1.751 1.00 60.13 H new ATOM 0 HB3 PRO A 91 2.270 10.188 2.794 1.00 60.13 H new ATOM 0 HG2 PRO A 91 -0.405 11.445 3.515 1.00 74.35 H new ATOM 0 HG3 PRO A 91 0.274 9.931 4.080 1.00 74.35 H new ATOM 0 HD2 PRO A 91 0.394 12.181 5.625 1.00 22.41 H new ATOM 0 HD3 PRO A 91 1.681 10.992 5.666 1.00 22.41 H new ATOM 1317 N ALA A 92 2.209 13.371 0.860 1.00 13.44 N ATOM 1318 CA ALA A 92 1.610 14.088 -0.257 1.00 75.15 C ATOM 1319 C ALA A 92 0.264 13.469 -0.728 1.00 41.12 C ATOM 1320 O ALA A 92 -0.052 13.463 -1.916 1.00 31.40 O ATOM 1321 CB ALA A 92 2.636 14.108 -1.374 1.00 75.43 C ATOM 0 H ALA A 92 3.008 12.801 0.583 1.00 13.44 H new ATOM 0 HA ALA A 92 1.354 15.100 0.057 1.00 75.15 H new ATOM 0 HB1 ALA A 92 2.227 14.638 -2.234 1.00 75.43 H new ATOM 0 HB2 ALA A 92 3.538 14.615 -1.031 1.00 75.43 H new ATOM 0 HB3 ALA A 92 2.882 13.085 -1.661 1.00 75.43 H new ATOM 1327 N THR A 93 -0.416 12.759 0.174 1.00 73.43 N ATOM 1328 CA THR A 93 -1.641 11.970 0.006 1.00 44.05 C ATOM 1329 C THR A 93 -1.684 11.110 -1.287 1.00 20.53 C ATOM 1330 O THR A 93 -2.702 11.051 -1.977 1.00 13.10 O ATOM 1331 CB THR A 93 -2.872 12.858 0.268 1.00 51.41 C ATOM 1332 OG1 THR A 93 -2.961 13.935 -0.637 1.00 71.34 O ATOM 1333 CG2 THR A 93 -2.838 13.403 1.702 1.00 63.24 C ATOM 0 H THR A 93 -0.090 12.717 1.140 1.00 73.43 H new ATOM 0 HA THR A 93 -1.653 11.190 0.768 1.00 44.05 H new ATOM 0 HB THR A 93 -3.751 12.229 0.126 1.00 51.41 H new ATOM 0 HG1 THR A 93 -3.757 14.469 -0.433 1.00 71.34 H new ATOM 0 HG21 THR A 93 -3.714 14.029 1.874 1.00 63.24 H new ATOM 0 HG22 THR A 93 -2.842 12.572 2.407 1.00 63.24 H new ATOM 0 HG23 THR A 93 -1.934 13.996 1.845 1.00 63.24 H new ATOM 1341 N PRO A 94 -0.665 10.273 -1.568 1.00 52.22 N ATOM 1342 CA PRO A 94 -0.602 9.500 -2.807 1.00 21.13 C ATOM 1343 C PRO A 94 -1.553 8.311 -2.836 1.00 15.40 C ATOM 1344 O PRO A 94 -1.799 7.760 -3.914 1.00 41.15 O ATOM 1345 CB PRO A 94 0.858 9.032 -2.913 1.00 40.25 C ATOM 1346 CG PRO A 94 1.320 8.987 -1.467 1.00 24.53 C ATOM 1347 CD PRO A 94 0.577 10.140 -0.836 1.00 43.32 C ATOM 0 HA PRO A 94 -0.915 10.117 -3.649 1.00 21.13 H new ATOM 0 HB2 PRO A 94 0.933 8.054 -3.389 1.00 40.25 H new ATOM 0 HB3 PRO A 94 1.459 9.722 -3.505 1.00 40.25 H new ATOM 0 HG2 PRO A 94 1.070 8.038 -0.993 1.00 24.53 H new ATOM 0 HG3 PRO A 94 2.400 9.109 -1.385 1.00 24.53 H new ATOM 0 HD2 PRO A 94 0.387 9.949 0.220 1.00 43.32 H new ATOM 0 HD3 PRO A 94 1.162 11.058 -0.894 1.00 43.32 H new ATOM 1352 N ILE A 95 -2.079 7.883 -1.692 1.00 55.31 N ATOM 1353 CA ILE A 95 -2.945 6.718 -1.607 1.00 22.24 C ATOM 1354 C ILE A 95 -4.405 7.185 -1.437 1.00 23.22 C ATOM 1355 O ILE A 95 -5.307 6.418 -1.756 1.00 64.22 O ATOM 1356 CB ILE A 95 -2.428 5.752 -0.508 1.00 31.54 C ATOM 1357 CG1 ILE A 95 -0.878 5.607 -0.422 1.00 32.14 C ATOM 1358 CG2 ILE A 95 -3.053 4.354 -0.655 1.00 71.25 C ATOM 1359 CD1 ILE A 95 -0.096 5.217 -1.696 1.00 74.34 C ATOM 0 H ILE A 95 -1.914 8.339 -0.795 1.00 55.31 H new ATOM 0 HA ILE A 95 -2.923 6.135 -2.528 1.00 22.24 H new ATOM 0 HB ILE A 95 -2.745 6.223 0.422 1.00 31.54 H new ATOM 0 HG12 ILE A 95 -0.477 6.556 -0.066 1.00 32.14 H new ATOM 0 HG13 ILE A 95 -0.658 4.861 0.342 1.00 32.14 H new ATOM 0 HG21 ILE A 95 -2.671 3.700 0.129 1.00 71.25 H new ATOM 0 HG22 ILE A 95 -4.137 4.429 -0.569 1.00 71.25 H new ATOM 0 HG23 ILE A 95 -2.794 3.941 -1.630 1.00 71.25 H new ATOM 0 HD11 ILE A 95 0.968 5.159 -1.466 1.00 74.34 H new ATOM 0 HD12 ILE A 95 -0.444 4.248 -2.054 1.00 74.34 H new ATOM 0 HD13 ILE A 95 -0.260 5.969 -2.468 1.00 74.34 H new ATOM 1370 N LYS A 96 -4.666 8.451 -1.066 1.00 22.44 N ATOM 1371 CA LYS A 96 -6.011 9.021 -0.888 1.00 63.25 C ATOM 1372 C LYS A 96 -6.915 8.781 -2.095 1.00 64.24 C ATOM 1373 O LYS A 96 -8.031 8.307 -1.921 1.00 34.33 O ATOM 1374 CB LYS A 96 -5.896 10.502 -0.487 1.00 51.04 C ATOM 1375 CG LYS A 96 -7.151 11.380 -0.606 1.00 23.23 C ATOM 1376 CD LYS A 96 -8.307 10.890 0.275 1.00 22.40 C ATOM 1377 CE LYS A 96 -9.193 12.038 0.768 1.00 72.52 C ATOM 1378 NZ LYS A 96 -9.862 12.803 -0.311 1.00 70.35 N ATOM 0 H LYS A 96 -3.924 9.125 -0.876 1.00 22.44 H new ATOM 0 HA LYS A 96 -6.508 8.497 -0.072 1.00 63.25 H new ATOM 0 HB2 LYS A 96 -5.557 10.542 0.548 1.00 51.04 H new ATOM 0 HB3 LYS A 96 -5.113 10.953 -1.097 1.00 51.04 H new ATOM 0 HG2 LYS A 96 -6.899 12.404 -0.330 1.00 23.23 H new ATOM 0 HG3 LYS A 96 -7.477 11.401 -1.646 1.00 23.23 H new ATOM 0 HD2 LYS A 96 -8.915 10.182 -0.288 1.00 22.40 H new ATOM 0 HD3 LYS A 96 -7.904 10.352 1.133 1.00 22.40 H new ATOM 0 HE2 LYS A 96 -9.954 11.633 1.435 1.00 72.52 H new ATOM 0 HE3 LYS A 96 -8.584 12.723 1.358 1.00 72.52 H new ATOM 0 HZ1 LYS A 96 -10.441 13.559 0.107 1.00 70.35 H new ATOM 0 HZ2 LYS A 96 -9.144 13.222 -0.936 1.00 70.35 H new ATOM 0 HZ3 LYS A 96 -10.471 12.165 -0.862 1.00 70.35 H new ATOM 1388 N THR A 97 -6.455 9.072 -3.307 1.00 12.23 N ATOM 1389 CA THR A 97 -7.274 8.840 -4.498 1.00 15.32 C ATOM 1390 C THR A 97 -7.447 7.348 -4.766 1.00 72.15 C ATOM 1391 O THR A 97 -8.529 6.886 -5.111 1.00 20.44 O ATOM 1392 CB THR A 97 -6.587 9.540 -5.675 1.00 60.42 C ATOM 1393 OG1 THR A 97 -6.252 10.855 -5.283 1.00 22.30 O ATOM 1394 CG2 THR A 97 -7.458 9.551 -6.928 1.00 72.23 C ATOM 0 H THR A 97 -5.532 9.464 -3.493 1.00 12.23 H new ATOM 0 HA THR A 97 -8.275 9.246 -4.352 1.00 15.32 H new ATOM 0 HB THR A 97 -5.685 8.985 -5.934 1.00 60.42 H new ATOM 0 HG1 THR A 97 -5.513 11.183 -5.837 1.00 22.30 H new ATOM 0 HG21 THR A 97 -6.928 10.058 -7.735 1.00 72.23 H new ATOM 0 HG22 THR A 97 -7.679 8.526 -7.226 1.00 72.23 H new ATOM 0 HG23 THR A 97 -8.390 10.077 -6.719 1.00 72.23 H new ATOM 1402 N LEU A 98 -6.370 6.588 -4.613 1.00 64.53 N ATOM 1403 CA LEU A 98 -6.309 5.194 -5.005 1.00 11.22 C ATOM 1404 C LEU A 98 -7.202 4.331 -4.108 1.00 53.21 C ATOM 1405 O LEU A 98 -7.914 3.468 -4.598 1.00 53.35 O ATOM 1406 CB LEU A 98 -4.820 4.818 -4.928 1.00 43.34 C ATOM 1407 CG LEU A 98 -4.487 3.415 -5.430 1.00 44.24 C ATOM 1408 CD1 LEU A 98 -4.797 3.251 -6.915 1.00 20.10 C ATOM 1409 CD2 LEU A 98 -2.998 3.136 -5.185 1.00 71.32 C ATOM 0 H LEU A 98 -5.501 6.933 -4.205 1.00 64.53 H new ATOM 0 HA LEU A 98 -6.690 5.023 -6.012 1.00 11.22 H new ATOM 0 HB2 LEU A 98 -4.247 5.542 -5.507 1.00 43.34 H new ATOM 0 HB3 LEU A 98 -4.491 4.906 -3.893 1.00 43.34 H new ATOM 0 HG LEU A 98 -5.107 2.704 -4.883 1.00 44.24 H new ATOM 0 HD11 LEU A 98 -4.545 2.238 -7.230 1.00 20.10 H new ATOM 0 HD12 LEU A 98 -5.858 3.431 -7.087 1.00 20.10 H new ATOM 0 HD13 LEU A 98 -4.210 3.966 -7.490 1.00 20.10 H new ATOM 0 HD21 LEU A 98 -2.752 2.136 -5.541 1.00 71.32 H new ATOM 0 HD22 LEU A 98 -2.397 3.870 -5.722 1.00 71.32 H new ATOM 0 HD23 LEU A 98 -2.786 3.204 -4.118 1.00 71.32 H new ATOM 1420 N LEU A 99 -7.235 4.606 -2.804 1.00 75.22 N ATOM 1421 CA LEU A 99 -8.061 3.894 -1.829 1.00 31.22 C ATOM 1422 C LEU A 99 -9.554 3.971 -2.160 1.00 12.34 C ATOM 1423 O LEU A 99 -10.295 3.021 -1.911 1.00 72.14 O ATOM 1424 CB LEU A 99 -7.695 4.378 -0.425 1.00 11.01 C ATOM 1425 CG LEU A 99 -8.485 5.603 0.039 1.00 73.34 C ATOM 1426 CD1 LEU A 99 -9.865 5.211 0.574 1.00 51.25 C ATOM 1427 CD2 LEU A 99 -7.678 6.356 1.082 1.00 64.54 C ATOM 0 H LEU A 99 -6.674 5.348 -2.386 1.00 75.22 H new ATOM 0 HA LEU A 99 -7.847 2.826 -1.873 1.00 31.22 H new ATOM 0 HB2 LEU A 99 -7.858 3.565 0.282 1.00 11.01 H new ATOM 0 HB3 LEU A 99 -6.631 4.614 -0.399 1.00 11.01 H new ATOM 0 HG LEU A 99 -8.656 6.257 -0.816 1.00 73.34 H new ATOM 0 HD11 LEU A 99 -10.399 6.106 0.895 1.00 51.25 H new ATOM 0 HD12 LEU A 99 -10.432 4.713 -0.212 1.00 51.25 H new ATOM 0 HD13 LEU A 99 -9.748 4.535 1.421 1.00 51.25 H new ATOM 0 HD21 LEU A 99 -8.238 7.230 1.415 1.00 64.54 H new ATOM 0 HD22 LEU A 99 -7.485 5.703 1.933 1.00 64.54 H new ATOM 0 HD23 LEU A 99 -6.731 6.676 0.648 1.00 64.54 H new ATOM 1438 N ASP A 100 -10.006 5.083 -2.741 1.00 4.12 N ATOM 1439 CA ASP A 100 -11.395 5.248 -3.183 1.00 52.23 C ATOM 1440 C ASP A 100 -11.774 4.187 -4.221 1.00 32.12 C ATOM 1441 O ASP A 100 -12.904 3.689 -4.262 1.00 45.04 O ATOM 1442 CB ASP A 100 -11.582 6.652 -3.774 1.00 71.13 C ATOM 1443 CG ASP A 100 -13.034 6.867 -4.180 1.00 44.03 C ATOM 1444 OD1 ASP A 100 -13.852 7.103 -3.261 1.00 44.31 O ATOM 1445 OD2 ASP A 100 -13.354 6.806 -5.385 1.00 71.34 O ATOM 0 H ASP A 100 -9.419 5.898 -2.920 1.00 4.12 H new ATOM 0 HA ASP A 100 -12.050 5.124 -2.320 1.00 52.23 H new ATOM 0 HB2 ASP A 100 -11.287 7.404 -3.042 1.00 71.13 H new ATOM 0 HB3 ASP A 100 -10.933 6.778 -4.640 1.00 71.13 H new ATOM 1449 N GLN A 101 -10.782 3.794 -5.015 1.00 63.31 N ATOM 1450 CA GLN A 101 -10.854 2.765 -6.036 1.00 22.11 C ATOM 1451 C GLN A 101 -10.464 1.380 -5.484 1.00 43.25 C ATOM 1452 O GLN A 101 -10.188 0.473 -6.265 1.00 43.34 O ATOM 1453 CB GLN A 101 -9.991 3.215 -7.229 1.00 21.44 C ATOM 1454 CG GLN A 101 -10.392 4.618 -7.719 1.00 61.53 C ATOM 1455 CD GLN A 101 -9.964 4.925 -9.151 1.00 53.14 C ATOM 1456 OE1 GLN A 101 -10.101 4.108 -10.058 1.00 31.10 O ATOM 1457 NE2 GLN A 101 -9.480 6.123 -9.410 1.00 3.02 N ATOM 0 H GLN A 101 -9.854 4.213 -4.956 1.00 63.31 H new ATOM 0 HA GLN A 101 -11.882 2.643 -6.378 1.00 22.11 H new ATOM 0 HB2 GLN A 101 -8.940 3.216 -6.939 1.00 21.44 H new ATOM 0 HB3 GLN A 101 -10.096 2.500 -8.045 1.00 21.44 H new ATOM 0 HG2 GLN A 101 -11.475 4.721 -7.645 1.00 61.53 H new ATOM 0 HG3 GLN A 101 -9.955 5.362 -7.053 1.00 61.53 H new ATOM 0 HE21 GLN A 101 -9.366 6.801 -8.656 1.00 3.02 H new ATOM 0 HE22 GLN A 101 -9.219 6.372 -10.364 1.00 3.02 H new ATOM 1464 N MET A 102 -10.419 1.193 -4.159 1.00 61.13 N ATOM 1465 CA MET A 102 -10.002 -0.035 -3.463 1.00 3.42 C ATOM 1466 C MET A 102 -10.935 -0.391 -2.288 1.00 24.10 C ATOM 1467 O MET A 102 -10.570 -1.165 -1.402 1.00 12.44 O ATOM 1468 CB MET A 102 -8.565 0.151 -2.960 1.00 2.33 C ATOM 1469 CG MET A 102 -7.571 0.228 -4.115 1.00 41.33 C ATOM 1470 SD MET A 102 -5.863 0.500 -3.614 1.00 22.21 S ATOM 1471 CE MET A 102 -5.100 0.087 -5.207 1.00 75.32 C ATOM 0 H MET A 102 -10.686 1.931 -3.508 1.00 61.13 H new ATOM 0 HA MET A 102 -10.057 -0.864 -4.169 1.00 3.42 H new ATOM 0 HB2 MET A 102 -8.503 1.062 -2.364 1.00 2.33 H new ATOM 0 HB3 MET A 102 -8.298 -0.678 -2.304 1.00 2.33 H new ATOM 0 HG2 MET A 102 -7.625 -0.698 -4.687 1.00 41.33 H new ATOM 0 HG3 MET A 102 -7.873 1.034 -4.784 1.00 41.33 H new ATOM 0 HE1 MET A 102 -4.119 0.558 -5.274 1.00 75.32 H new ATOM 0 HE2 MET A 102 -4.989 -0.994 -5.288 1.00 75.32 H new ATOM 0 HE3 MET A 102 -5.732 0.448 -6.018 1.00 75.32 H new ATOM 1479 N LYS A 103 -12.149 0.165 -2.232 1.00 2.30 N ATOM 1480 CA LYS A 103 -13.117 -0.105 -1.164 1.00 50.14 C ATOM 1481 C LYS A 103 -13.429 -1.596 -1.030 1.00 51.13 C ATOM 1482 O LYS A 103 -13.678 -2.076 0.073 1.00 1.41 O ATOM 1483 CB LYS A 103 -14.403 0.708 -1.432 1.00 42.05 C ATOM 1484 CG LYS A 103 -14.819 1.624 -0.268 1.00 44.45 C ATOM 1485 CD LYS A 103 -14.658 3.114 -0.617 1.00 61.41 C ATOM 1486 CE LYS A 103 -15.124 3.946 0.583 1.00 4.10 C ATOM 1487 NZ LYS A 103 -15.606 5.298 0.230 1.00 45.04 N ATOM 0 H LYS A 103 -12.491 0.822 -2.934 1.00 2.30 H new ATOM 0 HA LYS A 103 -12.678 0.203 -0.215 1.00 50.14 H new ATOM 0 HB2 LYS A 103 -14.257 1.316 -2.325 1.00 42.05 H new ATOM 0 HB3 LYS A 103 -15.219 0.018 -1.647 1.00 42.05 H new ATOM 0 HG2 LYS A 103 -15.857 1.424 -0.004 1.00 44.45 H new ATOM 0 HG3 LYS A 103 -14.216 1.391 0.610 1.00 44.45 H new ATOM 0 HD2 LYS A 103 -13.618 3.338 -0.852 1.00 61.41 H new ATOM 0 HD3 LYS A 103 -15.245 3.362 -1.501 1.00 61.41 H new ATOM 0 HE2 LYS A 103 -15.923 3.410 1.095 1.00 4.10 H new ATOM 0 HE3 LYS A 103 -14.299 4.039 1.289 1.00 4.10 H new ATOM 0 HZ1 LYS A 103 -15.903 5.797 1.093 1.00 45.04 H new ATOM 0 HZ2 LYS A 103 -14.841 5.830 -0.232 1.00 45.04 H new ATOM 0 HZ3 LYS A 103 -16.414 5.220 -0.420 1.00 45.04 H new ATOM 1497 N ASN A 104 -13.382 -2.316 -2.148 1.00 3.53 N ATOM 1498 CA ASN A 104 -13.653 -3.729 -2.353 1.00 54.33 C ATOM 1499 C ASN A 104 -12.646 -4.695 -1.713 1.00 51.41 C ATOM 1500 O ASN A 104 -12.747 -5.898 -1.966 1.00 62.21 O ATOM 1501 CB ASN A 104 -13.652 -3.954 -3.873 1.00 5.42 C ATOM 1502 CG ASN A 104 -12.253 -3.836 -4.479 1.00 54.33 C ATOM 1503 OD1 ASN A 104 -11.842 -2.749 -4.868 1.00 14.24 O ATOM 1504 ND2 ASN A 104 -11.478 -4.902 -4.547 1.00 33.03 N ATOM 0 H ASN A 104 -13.124 -1.869 -3.028 1.00 3.53 H new ATOM 0 HA ASN A 104 -14.603 -3.951 -1.867 1.00 54.33 H new ATOM 0 HB2 ASN A 104 -14.057 -4.942 -4.092 1.00 5.42 H new ATOM 0 HB3 ASN A 104 -14.312 -3.227 -4.346 1.00 5.42 H new ATOM 0 HD21 ASN A 104 -10.534 -4.823 -4.924 1.00 33.03 H new ATOM 0 HD22 ASN A 104 -11.823 -5.805 -4.222 1.00 33.03 H new ATOM 1510 N TYR A 105 -11.635 -4.212 -0.991 1.00 5.30 N ATOM 1511 CA TYR A 105 -10.582 -5.062 -0.447 1.00 50.51 C ATOM 1512 C TYR A 105 -11.134 -6.000 0.629 1.00 14.32 C ATOM 1513 O TYR A 105 -11.929 -5.606 1.483 1.00 32.44 O ATOM 1514 CB TYR A 105 -9.455 -4.191 0.131 1.00 71.12 C ATOM 1515 CG TYR A 105 -8.376 -3.731 -0.821 1.00 71.31 C ATOM 1516 CD1 TYR A 105 -8.645 -3.520 -2.183 1.00 60.45 C ATOM 1517 CD2 TYR A 105 -7.097 -3.447 -0.308 1.00 33.11 C ATOM 1518 CE1 TYR A 105 -7.622 -3.098 -3.038 1.00 61.33 C ATOM 1519 CE2 TYR A 105 -6.062 -3.031 -1.164 1.00 23.10 C ATOM 1520 CZ TYR A 105 -6.315 -2.897 -2.547 1.00 51.44 C ATOM 1521 OH TYR A 105 -5.311 -2.614 -3.421 1.00 0.50 O ATOM 0 H TYR A 105 -11.525 -3.223 -0.768 1.00 5.30 H new ATOM 0 HA TYR A 105 -10.182 -5.676 -1.254 1.00 50.51 H new ATOM 0 HB2 TYR A 105 -9.908 -3.307 0.579 1.00 71.12 H new ATOM 0 HB3 TYR A 105 -8.978 -4.748 0.937 1.00 71.12 H new ATOM 0 HD1 TYR A 105 -9.640 -3.683 -2.570 1.00 60.45 H new ATOM 0 HD2 TYR A 105 -6.909 -3.549 0.751 1.00 33.11 H new ATOM 0 HE1 TYR A 105 -7.834 -2.925 -4.083 1.00 61.33 H new ATOM 0 HE2 TYR A 105 -5.081 -2.816 -0.767 1.00 23.10 H new ATOM 0 HH TYR A 105 -5.501 -3.035 -4.285 1.00 0.50 H new ATOM 1530 N ARG A 106 -10.664 -7.244 0.614 1.00 65.12 N ATOM 1531 CA ARG A 106 -10.901 -8.327 1.562 1.00 5.33 C ATOM 1532 C ARG A 106 -9.557 -9.024 1.723 1.00 43.43 C ATOM 1533 O ARG A 106 -9.065 -9.590 0.743 1.00 22.13 O ATOM 1534 CB ARG A 106 -11.942 -9.311 1.032 1.00 13.42 C ATOM 1535 CG ARG A 106 -13.294 -8.642 0.781 1.00 25.02 C ATOM 1536 CD ARG A 106 -14.336 -9.724 0.501 1.00 2.11 C ATOM 1537 NE ARG A 106 -15.206 -9.400 -0.641 1.00 22.11 N ATOM 1538 CZ ARG A 106 -16.068 -8.382 -0.718 1.00 23.12 C ATOM 1539 NH1 ARG A 106 -16.287 -7.591 0.324 1.00 34.02 N ATOM 1540 NH2 ARG A 106 -16.733 -8.149 -1.835 1.00 65.03 N ATOM 0 H ARG A 106 -10.046 -7.548 -0.138 1.00 65.12 H new ATOM 0 HA ARG A 106 -11.287 -7.946 2.507 1.00 5.33 H new ATOM 0 HB2 ARG A 106 -11.581 -9.755 0.105 1.00 13.42 H new ATOM 0 HB3 ARG A 106 -12.068 -10.124 1.747 1.00 13.42 H new ATOM 0 HG2 ARG A 106 -13.589 -8.050 1.648 1.00 25.02 H new ATOM 0 HG3 ARG A 106 -13.225 -7.957 -0.064 1.00 25.02 H new ATOM 0 HD2 ARG A 106 -13.828 -10.669 0.308 1.00 2.11 H new ATOM 0 HD3 ARG A 106 -14.950 -9.868 1.390 1.00 2.11 H new ATOM 0 HE ARG A 106 -15.145 -10.013 -1.454 1.00 22.11 H new ATOM 0 HH11 ARG A 106 -15.794 -7.755 1.202 1.00 34.02 H new ATOM 0 HH12 ARG A 106 -16.949 -6.818 0.248 1.00 34.02 H new ATOM 0 HH21 ARG A 106 -16.591 -8.748 -2.648 1.00 65.03 H new ATOM 0 HH22 ARG A 106 -17.389 -7.370 -1.885 1.00 65.03 H new ATOM 1551 N GLY A 107 -8.935 -8.925 2.893 1.00 11.41 N ATOM 1552 CA GLY A 107 -7.582 -9.410 3.111 1.00 51.25 C ATOM 1553 C GLY A 107 -6.790 -8.484 4.028 1.00 51.34 C ATOM 1554 O GLY A 107 -7.313 -7.499 4.573 1.00 11.53 O ATOM 0 H GLY A 107 -9.360 -8.504 3.719 1.00 11.41 H new ATOM 0 HA2 GLY A 107 -7.619 -10.408 3.547 1.00 51.25 H new ATOM 0 HA3 GLY A 107 -7.069 -9.499 2.153 1.00 51.25 H new ATOM 1558 N GLU A 108 -5.510 -8.798 4.168 1.00 2.34 N ATOM 1559 CA GLU A 108 -4.514 -8.077 4.941 1.00 23.12 C ATOM 1560 C GLU A 108 -3.945 -6.930 4.099 1.00 23.23 C ATOM 1561 O GLU A 108 -3.891 -7.013 2.868 1.00 73.01 O ATOM 1562 CB GLU A 108 -3.401 -9.063 5.306 1.00 23.10 C ATOM 1563 CG GLU A 108 -3.834 -10.084 6.365 1.00 32.10 C ATOM 1564 CD GLU A 108 -2.801 -11.200 6.562 1.00 62.33 C ATOM 1565 OE1 GLU A 108 -1.607 -10.930 6.814 1.00 54.35 O ATOM 1566 OE2 GLU A 108 -3.197 -12.387 6.538 1.00 4.13 O ATOM 0 H GLU A 108 -5.115 -9.620 3.712 1.00 2.34 H new ATOM 0 HA GLU A 108 -4.956 -7.657 5.845 1.00 23.12 H new ATOM 0 HB2 GLU A 108 -3.081 -9.592 4.408 1.00 23.10 H new ATOM 0 HB3 GLU A 108 -2.538 -8.509 5.674 1.00 23.10 H new ATOM 0 HG2 GLU A 108 -3.996 -9.572 7.314 1.00 32.10 H new ATOM 0 HG3 GLU A 108 -4.788 -10.524 6.073 1.00 32.10 H new ATOM 1571 N VAL A 109 -3.521 -5.853 4.755 1.00 12.11 N ATOM 1572 CA VAL A 109 -2.994 -4.639 4.160 1.00 64.42 C ATOM 1573 C VAL A 109 -2.004 -4.036 5.171 1.00 60.34 C ATOM 1574 O VAL A 109 -2.359 -3.884 6.342 1.00 43.33 O ATOM 1575 CB VAL A 109 -4.134 -3.629 3.862 1.00 4.10 C ATOM 1576 CG1 VAL A 109 -3.639 -2.521 2.919 1.00 52.11 C ATOM 1577 CG2 VAL A 109 -5.403 -4.208 3.215 1.00 32.21 C ATOM 0 H VAL A 109 -3.539 -5.807 5.774 1.00 12.11 H new ATOM 0 HA VAL A 109 -2.503 -4.862 3.213 1.00 64.42 H new ATOM 0 HB VAL A 109 -4.406 -3.268 4.854 1.00 4.10 H new ATOM 0 HG11 VAL A 109 -4.451 -1.822 2.721 1.00 52.11 H new ATOM 0 HG12 VAL A 109 -2.809 -1.990 3.385 1.00 52.11 H new ATOM 0 HG13 VAL A 109 -3.305 -2.964 1.981 1.00 52.11 H new ATOM 0 HG21 VAL A 109 -6.127 -3.409 3.055 1.00 32.21 H new ATOM 0 HG22 VAL A 109 -5.148 -4.664 2.258 1.00 32.21 H new ATOM 0 HG23 VAL A 109 -5.835 -4.962 3.873 1.00 32.21 H new ATOM 1587 N ALA A 110 -0.788 -3.663 4.755 1.00 33.40 N ATOM 1588 CA ALA A 110 0.144 -2.904 5.597 1.00 35.20 C ATOM 1589 C ALA A 110 0.644 -1.666 4.854 1.00 44.02 C ATOM 1590 O ALA A 110 0.457 -1.574 3.634 1.00 73.32 O ATOM 1591 CB ALA A 110 1.309 -3.797 6.042 1.00 11.42 C ATOM 0 H ALA A 110 -0.423 -3.878 3.827 1.00 33.40 H new ATOM 0 HA ALA A 110 -0.381 -2.568 6.491 1.00 35.20 H new ATOM 0 HB1 ALA A 110 1.992 -3.220 6.666 1.00 11.42 H new ATOM 0 HB2 ALA A 110 0.923 -4.642 6.612 1.00 11.42 H new ATOM 0 HB3 ALA A 110 1.841 -4.164 5.165 1.00 11.42 H new ATOM 1597 N SER A 111 1.278 -0.716 5.560 1.00 55.05 N ATOM 1598 CA SER A 111 1.928 0.433 4.927 1.00 41.01 C ATOM 1599 C SER A 111 3.431 0.409 5.238 1.00 42.33 C ATOM 1600 O SER A 111 3.837 -0.154 6.253 1.00 61.52 O ATOM 1601 CB SER A 111 1.237 1.695 5.451 1.00 74.41 C ATOM 1602 OG SER A 111 1.545 2.887 4.747 1.00 22.20 O ATOM 0 H SER A 111 1.352 -0.726 6.577 1.00 55.05 H new ATOM 0 HA SER A 111 1.835 0.407 3.841 1.00 41.01 H new ATOM 0 HB2 SER A 111 0.159 1.540 5.418 1.00 74.41 H new ATOM 0 HB3 SER A 111 1.507 1.830 6.498 1.00 74.41 H new ATOM 0 HG SER A 111 1.060 3.638 5.148 1.00 22.20 H new ATOM 1607 N PHE A 112 4.270 1.078 4.446 1.00 71.13 N ATOM 1608 CA PHE A 112 5.651 1.337 4.847 1.00 75.23 C ATOM 1609 C PHE A 112 6.124 2.717 4.375 1.00 55.04 C ATOM 1610 O PHE A 112 5.487 3.334 3.512 1.00 21.21 O ATOM 1611 CB PHE A 112 6.571 0.174 4.427 1.00 11.30 C ATOM 1612 CG PHE A 112 7.259 0.355 3.092 1.00 73.32 C ATOM 1613 CD1 PHE A 112 6.524 0.323 1.896 1.00 14.04 C ATOM 1614 CD2 PHE A 112 8.640 0.612 3.054 1.00 13.10 C ATOM 1615 CE1 PHE A 112 7.168 0.593 0.678 1.00 24.04 C ATOM 1616 CE2 PHE A 112 9.271 0.920 1.840 1.00 55.14 C ATOM 1617 CZ PHE A 112 8.534 0.909 0.647 1.00 62.43 C ATOM 0 H PHE A 112 4.019 1.448 3.529 1.00 71.13 H new ATOM 0 HA PHE A 112 5.702 1.377 5.935 1.00 75.23 H new ATOM 0 HB2 PHE A 112 7.332 0.036 5.195 1.00 11.30 H new ATOM 0 HB3 PHE A 112 5.982 -0.742 4.394 1.00 11.30 H new ATOM 0 HD1 PHE A 112 5.469 0.092 1.913 1.00 14.04 H new ATOM 0 HD2 PHE A 112 9.219 0.572 3.965 1.00 13.10 H new ATOM 0 HE1 PHE A 112 6.606 0.557 -0.244 1.00 24.04 H new ATOM 0 HE2 PHE A 112 10.323 1.165 1.824 1.00 55.14 H new ATOM 0 HZ PHE A 112 9.016 1.143 -0.291 1.00 62.43 H new ATOM 1626 N PHE A 113 7.246 3.177 4.936 1.00 63.21 N ATOM 1627 CA PHE A 113 7.954 4.404 4.573 1.00 21.22 C ATOM 1628 C PHE A 113 9.367 4.071 4.121 1.00 21.41 C ATOM 1629 O PHE A 113 9.866 2.971 4.361 1.00 22.20 O ATOM 1630 CB PHE A 113 8.097 5.335 5.790 1.00 20.40 C ATOM 1631 CG PHE A 113 6.828 5.533 6.570 1.00 55.34 C ATOM 1632 CD1 PHE A 113 5.727 6.143 5.949 1.00 15.20 C ATOM 1633 CD2 PHE A 113 6.709 4.992 7.865 1.00 22.14 C ATOM 1634 CE1 PHE A 113 4.488 6.062 6.586 1.00 62.13 C ATOM 1635 CE2 PHE A 113 5.486 5.054 8.550 1.00 52.05 C ATOM 1636 CZ PHE A 113 4.358 5.568 7.892 1.00 23.34 C ATOM 0 H PHE A 113 7.708 2.676 5.695 1.00 63.21 H new ATOM 0 HA PHE A 113 7.380 4.887 3.782 1.00 21.22 H new ATOM 0 HB2 PHE A 113 8.859 4.929 6.455 1.00 20.40 H new ATOM 0 HB3 PHE A 113 8.456 6.306 5.449 1.00 20.40 H new ATOM 0 HD1 PHE A 113 5.835 6.659 5.007 1.00 15.20 H new ATOM 0 HD2 PHE A 113 7.564 4.527 8.333 1.00 22.14 H new ATOM 0 HE1 PHE A 113 3.604 6.389 6.058 1.00 62.13 H new ATOM 0 HE2 PHE A 113 5.414 4.710 9.571 1.00 52.05 H new ATOM 0 HZ PHE A 113 3.398 5.583 8.387 1.00 23.34 H new ATOM 1645 N THR A 114 10.069 5.065 3.583 1.00 3.23 N ATOM 1646 CA THR A 114 11.527 4.987 3.469 1.00 63.45 C ATOM 1647 C THR A 114 12.187 6.341 3.794 1.00 24.34 C ATOM 1648 O THR A 114 13.179 6.725 3.181 1.00 54.14 O ATOM 1649 CB THR A 114 11.932 4.374 2.107 1.00 51.01 C ATOM 1650 OG1 THR A 114 10.830 3.845 1.385 1.00 44.45 O ATOM 1651 CG2 THR A 114 12.939 3.235 2.289 1.00 14.23 C ATOM 0 H THR A 114 9.659 5.927 3.222 1.00 3.23 H new ATOM 0 HA THR A 114 11.917 4.304 4.223 1.00 63.45 H new ATOM 0 HB THR A 114 12.368 5.200 1.545 1.00 51.01 H new ATOM 0 HG1 THR A 114 10.492 3.047 1.842 1.00 44.45 H new ATOM 0 HG21 THR A 114 13.204 2.825 1.315 1.00 14.23 H new ATOM 0 HG22 THR A 114 13.835 3.616 2.778 1.00 14.23 H new ATOM 0 HG23 THR A 114 12.495 2.452 2.904 1.00 14.23 H new ATOM 1659 N SER A 115 11.615 7.108 4.731 1.00 73.41 N ATOM 1660 CA SER A 115 12.054 8.460 5.068 1.00 23.20 C ATOM 1661 C SER A 115 13.414 8.503 5.776 1.00 72.12 C ATOM 1662 O SER A 115 13.964 7.489 6.213 1.00 43.44 O ATOM 1663 CB SER A 115 10.995 9.139 5.953 1.00 33.43 C ATOM 1664 OG SER A 115 11.056 10.544 5.798 1.00 22.12 O ATOM 0 H SER A 115 10.818 6.795 5.285 1.00 73.41 H new ATOM 0 HA SER A 115 12.174 8.993 4.125 1.00 23.20 H new ATOM 0 HB2 SER A 115 10.002 8.779 5.685 1.00 33.43 H new ATOM 0 HB3 SER A 115 11.159 8.874 6.997 1.00 33.43 H new ATOM 0 HG SER A 115 10.376 10.965 6.365 1.00 22.12 H new ATOM 1669 N ALA A 116 13.866 9.730 6.031 1.00 13.32 N ATOM 1670 CA ALA A 116 14.969 10.133 6.882 1.00 53.43 C ATOM 1671 C ALA A 116 14.580 10.015 8.364 1.00 53.43 C ATOM 1672 O ALA A 116 15.011 10.824 9.186 1.00 15.21 O ATOM 1673 CB ALA A 116 15.331 11.572 6.500 1.00 14.22 C ATOM 0 H ALA A 116 13.421 10.541 5.602 1.00 13.32 H new ATOM 0 HA ALA A 116 15.833 9.484 6.739 1.00 53.43 H new ATOM 0 HB1 ALA A 116 16.160 11.915 7.119 1.00 14.22 H new ATOM 0 HB2 ALA A 116 15.623 11.607 5.450 1.00 14.22 H new ATOM 0 HB3 ALA A 116 14.468 12.219 6.658 1.00 14.22 H new ATOM 1679 N GLY A 117 13.720 9.051 8.701 1.00 40.02 N ATOM 1680 CA GLY A 117 13.397 8.693 10.067 1.00 15.44 C ATOM 1681 C GLY A 117 12.287 9.520 10.721 1.00 71.32 C ATOM 1682 O GLY A 117 11.871 9.209 11.843 1.00 61.24 O ATOM 0 H GLY A 117 13.222 8.490 8.009 1.00 40.02 H new ATOM 0 HA2 GLY A 117 13.105 7.643 10.089 1.00 15.44 H new ATOM 0 HA3 GLY A 117 14.299 8.786 10.671 1.00 15.44 H new ATOM 1686 N THR A 118 11.814 10.575 10.063 1.00 13.03 N ATOM 1687 CA THR A 118 10.943 11.580 10.655 1.00 64.44 C ATOM 1688 C THR A 118 9.457 11.225 10.530 1.00 71.43 C ATOM 1689 O THR A 118 9.071 10.340 9.753 1.00 14.24 O ATOM 1690 CB THR A 118 11.265 12.928 9.982 1.00 73.34 C ATOM 1691 OG1 THR A 118 11.365 12.790 8.574 1.00 12.04 O ATOM 1692 CG2 THR A 118 12.599 13.473 10.502 1.00 1.30 C ATOM 0 H THR A 118 12.031 10.757 9.083 1.00 13.03 H new ATOM 0 HA THR A 118 11.131 11.635 11.727 1.00 64.44 H new ATOM 0 HB THR A 118 10.452 13.613 10.222 1.00 73.34 H new ATOM 0 HG1 THR A 118 11.568 13.661 8.174 1.00 12.04 H new ATOM 0 HG21 THR A 118 12.816 14.426 10.019 1.00 1.30 H new ATOM 0 HG22 THR A 118 12.537 13.619 11.580 1.00 1.30 H new ATOM 0 HG23 THR A 118 13.395 12.763 10.277 1.00 1.30 H new ATOM 1700 N ASN A 119 8.634 11.981 11.276 1.00 73.22 N ATOM 1701 CA ASN A 119 7.183 12.123 11.181 1.00 15.20 C ATOM 1702 C ASN A 119 6.459 10.782 11.235 1.00 3.23 C ATOM 1703 O ASN A 119 5.371 10.644 10.676 1.00 13.43 O ATOM 1704 CB ASN A 119 6.796 13.000 9.975 1.00 52.25 C ATOM 1705 CG ASN A 119 7.468 14.363 10.010 1.00 40.43 C ATOM 1706 OD1 ASN A 119 7.991 14.858 8.899 1.00 51.24 O flip ATOM 1707 ND2 ASN A 119 7.533 14.987 11.062 1.00 13.00 N flip ATOM 0 H ASN A 119 9.009 12.559 12.028 1.00 73.22 H new ATOM 0 HA ASN A 119 6.836 12.653 12.068 1.00 15.20 H new ATOM 0 HB2 ASN A 119 7.070 12.487 9.053 1.00 52.25 H new ATOM 0 HB3 ASN A 119 5.714 13.132 9.957 1.00 52.25 H new ATOM 0 HD21 ASN A 119 7.127 14.597 11.912 1.00 13.00 H new ATOM 0 HD22 ASN A 119 7.993 15.897 11.088 1.00 13.00 H new ATOM 1713 N HIS A 120 7.061 9.783 11.894 1.00 14.22 N ATOM 1714 CA HIS A 120 6.590 8.410 11.827 1.00 11.42 C ATOM 1715 C HIS A 120 5.170 8.344 12.372 1.00 20.34 C ATOM 1716 O HIS A 120 4.264 7.852 11.705 1.00 4.10 O ATOM 1717 CB HIS A 120 7.568 7.434 12.522 1.00 64.55 C ATOM 1718 CG HIS A 120 7.361 7.160 13.998 1.00 22.50 C ATOM 1719 ND1 HIS A 120 6.453 6.264 14.526 1.00 41.21 N ATOM 1720 CD2 HIS A 120 8.081 7.679 15.043 1.00 23.11 C ATOM 1721 CE1 HIS A 120 6.607 6.260 15.859 1.00 0.04 C ATOM 1722 NE2 HIS A 120 7.591 7.104 16.227 1.00 3.02 N ATOM 0 H HIS A 120 7.883 9.912 12.483 1.00 14.22 H new ATOM 0 HA HIS A 120 6.561 8.081 10.788 1.00 11.42 H new ATOM 0 HB2 HIS A 120 7.522 6.481 11.995 1.00 64.55 H new ATOM 0 HB3 HIS A 120 8.578 7.822 12.392 1.00 64.55 H new ATOM 0 HD2 HIS A 120 8.881 8.400 14.969 1.00 23.11 H new ATOM 0 HE1 HIS A 120 6.023 5.662 16.543 1.00 0.04 H new ATOM 0 HE2 HIS A 120 7.915 7.288 17.176 1.00 3.02 H new ATOM 1729 N LYS A 121 4.965 8.865 13.583 1.00 61.51 N ATOM 1730 CA LYS A 121 3.706 8.676 14.280 1.00 41.13 C ATOM 1731 C LYS A 121 2.609 9.478 13.584 1.00 55.43 C ATOM 1732 O LYS A 121 1.517 8.944 13.379 1.00 41.34 O ATOM 1733 CB LYS A 121 3.868 9.029 15.770 1.00 24.22 C ATOM 1734 CG LYS A 121 3.263 7.953 16.680 1.00 15.30 C ATOM 1735 CD LYS A 121 1.762 7.771 16.424 1.00 73.24 C ATOM 1736 CE LYS A 121 1.032 7.071 17.570 1.00 2.14 C ATOM 1737 NZ LYS A 121 1.477 5.682 17.763 1.00 31.21 N ATOM 0 H LYS A 121 5.654 9.417 14.093 1.00 61.51 H new ATOM 0 HA LYS A 121 3.405 7.629 14.243 1.00 41.13 H new ATOM 0 HB2 LYS A 121 4.926 9.148 16.002 1.00 24.22 H new ATOM 0 HB3 LYS A 121 3.388 9.987 15.971 1.00 24.22 H new ATOM 0 HG2 LYS A 121 3.777 7.006 16.516 1.00 15.30 H new ATOM 0 HG3 LYS A 121 3.424 8.226 17.723 1.00 15.30 H new ATOM 0 HD2 LYS A 121 1.308 8.748 16.257 1.00 73.24 H new ATOM 0 HD3 LYS A 121 1.624 7.195 15.509 1.00 73.24 H new ATOM 0 HE2 LYS A 121 1.191 7.630 18.492 1.00 2.14 H new ATOM 0 HE3 LYS A 121 -0.040 7.081 17.372 1.00 2.14 H new ATOM 0 HZ1 LYS A 121 0.950 5.255 18.552 1.00 31.21 H new ATOM 0 HZ2 LYS A 121 1.302 5.137 16.894 1.00 31.21 H new ATOM 0 HZ3 LYS A 121 2.494 5.670 17.980 1.00 31.21 H new ATOM 1747 N ALA A 122 2.934 10.708 13.172 1.00 51.02 N ATOM 1748 CA ALA A 122 2.018 11.587 12.462 1.00 42.45 C ATOM 1749 C ALA A 122 1.472 10.884 11.226 1.00 72.43 C ATOM 1750 O ALA A 122 0.255 10.797 11.076 1.00 60.43 O ATOM 1751 CB ALA A 122 2.709 12.913 12.106 1.00 20.21 C ATOM 0 H ALA A 122 3.854 11.120 13.328 1.00 51.02 H new ATOM 0 HA ALA A 122 1.175 11.825 13.111 1.00 42.45 H new ATOM 0 HB1 ALA A 122 2.008 13.557 11.575 1.00 20.21 H new ATOM 0 HB2 ALA A 122 3.038 13.409 13.019 1.00 20.21 H new ATOM 0 HB3 ALA A 122 3.572 12.714 11.470 1.00 20.21 H new ATOM 1757 N TYR A 123 2.351 10.339 10.375 1.00 1.11 N ATOM 1758 CA TYR A 123 1.920 9.661 9.163 1.00 62.55 C ATOM 1759 C TYR A 123 0.924 8.556 9.495 1.00 60.25 C ATOM 1760 O TYR A 123 -0.188 8.598 8.969 1.00 15.01 O ATOM 1761 CB TYR A 123 3.107 9.106 8.375 1.00 72.51 C ATOM 1762 CG TYR A 123 2.745 8.660 6.966 1.00 11.11 C ATOM 1763 CD1 TYR A 123 1.720 7.715 6.705 1.00 23.54 C ATOM 1764 CD2 TYR A 123 3.498 9.160 5.892 1.00 61.33 C ATOM 1765 CE1 TYR A 123 1.402 7.342 5.391 1.00 1.23 C ATOM 1766 CE2 TYR A 123 3.238 8.721 4.586 1.00 44.21 C ATOM 1767 CZ TYR A 123 2.160 7.848 4.324 1.00 24.50 C ATOM 1768 OH TYR A 123 1.844 7.491 3.057 1.00 2.00 O ATOM 0 H TYR A 123 3.362 10.358 10.510 1.00 1.11 H new ATOM 0 HA TYR A 123 1.424 10.396 8.529 1.00 62.55 H new ATOM 0 HB2 TYR A 123 3.884 9.869 8.318 1.00 72.51 H new ATOM 0 HB3 TYR A 123 3.530 8.261 8.918 1.00 72.51 H new ATOM 0 HD1 TYR A 123 1.177 7.277 7.529 1.00 23.54 H new ATOM 0 HD2 TYR A 123 4.279 9.884 6.072 1.00 61.33 H new ATOM 0 HE1 TYR A 123 0.579 6.669 5.201 1.00 1.23 H new ATOM 0 HE2 TYR A 123 3.868 9.053 3.774 1.00 44.21 H new ATOM 0 HH TYR A 123 1.326 8.208 2.635 1.00 2.00 H new ATOM 1777 N VAL A 124 1.331 7.568 10.307 1.00 14.31 N ATOM 1778 CA VAL A 124 0.532 6.402 10.708 1.00 0.33 C ATOM 1779 C VAL A 124 -0.866 6.919 11.080 1.00 55.23 C ATOM 1780 O VAL A 124 -1.851 6.474 10.496 1.00 55.22 O ATOM 1781 CB VAL A 124 1.222 5.717 11.908 1.00 61.41 C ATOM 1782 CG1 VAL A 124 0.362 4.620 12.553 1.00 11.42 C ATOM 1783 CG2 VAL A 124 2.562 5.114 11.467 1.00 1.33 C ATOM 0 H VAL A 124 2.264 7.560 10.718 1.00 14.31 H new ATOM 0 HA VAL A 124 0.446 5.666 9.908 1.00 0.33 H new ATOM 0 HB VAL A 124 1.377 6.491 12.660 1.00 61.41 H new ATOM 0 HG11 VAL A 124 0.903 4.178 13.390 1.00 11.42 H new ATOM 0 HG12 VAL A 124 -0.571 5.054 12.913 1.00 11.42 H new ATOM 0 HG13 VAL A 124 0.143 3.849 11.815 1.00 11.42 H new ATOM 0 HG21 VAL A 124 3.042 4.633 12.319 1.00 1.33 H new ATOM 0 HG22 VAL A 124 2.389 4.376 10.684 1.00 1.33 H new ATOM 0 HG23 VAL A 124 3.208 5.904 11.085 1.00 1.33 H new ATOM 1793 N SER A 125 -0.957 7.874 12.015 1.00 12.32 N ATOM 1794 CA SER A 125 -2.236 8.313 12.554 1.00 73.14 C ATOM 1795 C SER A 125 -3.082 8.987 11.468 1.00 3.43 C ATOM 1796 O SER A 125 -4.254 8.641 11.295 1.00 32.11 O ATOM 1797 CB SER A 125 -1.979 9.258 13.736 1.00 34.52 C ATOM 1798 OG SER A 125 -3.080 9.247 14.618 1.00 55.35 O ATOM 0 H SER A 125 -0.150 8.356 12.411 1.00 12.32 H new ATOM 0 HA SER A 125 -2.801 7.451 12.907 1.00 73.14 H new ATOM 0 HB2 SER A 125 -1.077 8.952 14.266 1.00 34.52 H new ATOM 0 HB3 SER A 125 -1.807 10.270 13.371 1.00 34.52 H new ATOM 0 HG SER A 125 -2.904 9.852 15.369 1.00 55.35 H new ATOM 1803 N HIS A 126 -2.486 9.914 10.711 1.00 42.05 N ATOM 1804 CA HIS A 126 -3.189 10.672 9.679 1.00 53.31 C ATOM 1805 C HIS A 126 -3.717 9.730 8.598 1.00 43.04 C ATOM 1806 O HIS A 126 -4.854 9.859 8.156 1.00 34.11 O ATOM 1807 CB HIS A 126 -2.258 11.719 9.051 1.00 34.52 C ATOM 1808 CG HIS A 126 -2.229 13.045 9.759 1.00 71.25 C ATOM 1809 ND1 HIS A 126 -2.684 14.231 9.228 1.00 21.21 N ATOM 1810 CD2 HIS A 126 -1.752 13.300 11.016 1.00 52.31 C ATOM 1811 CE1 HIS A 126 -2.475 15.195 10.138 1.00 13.34 C ATOM 1812 NE2 HIS A 126 -1.937 14.666 11.249 1.00 35.31 N ATOM 0 H HIS A 126 -1.500 10.158 10.800 1.00 42.05 H new ATOM 0 HA HIS A 126 -4.030 11.186 10.144 1.00 53.31 H new ATOM 0 HB2 HIS A 126 -1.246 11.315 9.025 1.00 34.52 H new ATOM 0 HB3 HIS A 126 -2.563 11.882 8.017 1.00 34.52 H new ATOM 0 HD1 HIS A 126 -3.105 14.355 8.307 1.00 21.21 H new ATOM 0 HD2 HIS A 126 -1.316 12.584 11.697 1.00 52.31 H new ATOM 0 HE1 HIS A 126 -2.705 16.241 9.998 1.00 13.34 H new ATOM 1819 N PHE A 127 -2.880 8.790 8.159 1.00 14.44 N ATOM 1820 CA PHE A 127 -3.219 7.796 7.154 1.00 31.31 C ATOM 1821 C PHE A 127 -4.345 6.891 7.634 1.00 20.10 C ATOM 1822 O PHE A 127 -5.180 6.515 6.821 1.00 74.14 O ATOM 1823 CB PHE A 127 -1.977 6.967 6.817 1.00 32.32 C ATOM 1824 CG PHE A 127 -2.208 5.855 5.815 1.00 33.12 C ATOM 1825 CD1 PHE A 127 -2.574 4.572 6.269 1.00 63.44 C ATOM 1826 CD2 PHE A 127 -2.027 6.087 4.438 1.00 3.03 C ATOM 1827 CE1 PHE A 127 -2.714 3.517 5.357 1.00 40.41 C ATOM 1828 CE2 PHE A 127 -2.189 5.032 3.525 1.00 20.43 C ATOM 1829 CZ PHE A 127 -2.527 3.748 3.984 1.00 44.22 C ATOM 0 H PHE A 127 -1.924 8.701 8.504 1.00 14.44 H new ATOM 0 HA PHE A 127 -3.566 8.311 6.258 1.00 31.31 H new ATOM 0 HB2 PHE A 127 -1.207 7.633 6.428 1.00 32.32 H new ATOM 0 HB3 PHE A 127 -1.587 6.532 7.737 1.00 32.32 H new ATOM 0 HD1 PHE A 127 -2.747 4.401 7.321 1.00 63.44 H new ATOM 0 HD2 PHE A 127 -1.764 7.073 4.085 1.00 3.03 H new ATOM 0 HE1 PHE A 127 -2.965 2.528 5.709 1.00 40.41 H new ATOM 0 HE2 PHE A 127 -2.053 5.208 2.468 1.00 20.43 H new ATOM 0 HZ PHE A 127 -2.643 2.937 3.280 1.00 44.22 H new ATOM 1838 N ASN A 128 -4.361 6.520 8.923 1.00 62.32 N ATOM 1839 CA ASN A 128 -5.422 5.674 9.467 1.00 41.04 C ATOM 1840 C ASN A 128 -6.767 6.376 9.282 1.00 63.13 C ATOM 1841 O ASN A 128 -7.692 5.753 8.776 1.00 5.21 O ATOM 1842 CB ASN A 128 -5.194 5.295 10.945 1.00 42.23 C ATOM 1843 CG ASN A 128 -4.105 4.260 11.219 1.00 75.31 C ATOM 1844 OD1 ASN A 128 -3.243 3.965 10.263 1.00 23.33 O flip ATOM 1845 ND2 ASN A 128 -3.999 3.736 12.323 1.00 3.42 N flip ATOM 0 H ASN A 128 -3.651 6.794 9.603 1.00 62.32 H new ATOM 0 HA ASN A 128 -5.414 4.734 8.915 1.00 41.04 H new ATOM 0 HB2 ASN A 128 -4.950 6.203 11.497 1.00 42.23 H new ATOM 0 HB3 ASN A 128 -6.133 4.919 11.350 1.00 42.23 H new ATOM 0 HD21 ASN A 128 -4.665 3.964 13.062 1.00 3.42 H new ATOM 0 HD22 ASN A 128 -3.245 3.073 12.502 1.00 3.42 H new ATOM 1851 N GLU A 129 -6.844 7.668 9.610 1.00 44.03 N ATOM 1852 CA GLU A 129 -7.999 8.539 9.378 1.00 62.23 C ATOM 1853 C GLU A 129 -8.368 8.531 7.889 1.00 5.44 C ATOM 1854 O GLU A 129 -9.476 8.168 7.493 1.00 1.24 O ATOM 1855 CB GLU A 129 -7.630 9.970 9.838 1.00 33.43 C ATOM 1856 CG GLU A 129 -8.393 10.455 11.075 1.00 34.10 C ATOM 1857 CD GLU A 129 -9.652 11.216 10.676 1.00 2.12 C ATOM 1858 OE1 GLU A 129 -10.562 10.599 10.085 1.00 63.12 O ATOM 1859 OE2 GLU A 129 -9.708 12.446 10.911 1.00 70.15 O ATOM 0 H GLU A 129 -6.071 8.156 10.063 1.00 44.03 H new ATOM 0 HA GLU A 129 -8.861 8.183 9.943 1.00 62.23 H new ATOM 0 HB2 GLU A 129 -6.561 10.006 10.048 1.00 33.43 H new ATOM 0 HB3 GLU A 129 -7.817 10.662 9.017 1.00 33.43 H new ATOM 0 HG2 GLU A 129 -8.661 9.602 11.699 1.00 34.10 H new ATOM 0 HG3 GLU A 129 -7.749 11.099 11.675 1.00 34.10 H new ATOM 1864 N TRP A 130 -7.412 8.922 7.046 1.00 5.23 N ATOM 1865 CA TRP A 130 -7.540 9.061 5.600 1.00 1.21 C ATOM 1866 C TRP A 130 -7.810 7.745 4.873 1.00 50.13 C ATOM 1867 O TRP A 130 -7.996 7.801 3.661 1.00 53.21 O ATOM 1868 CB TRP A 130 -6.299 9.785 5.080 1.00 21.41 C ATOM 1869 CG TRP A 130 -6.128 11.179 5.609 1.00 62.15 C ATOM 1870 CD1 TRP A 130 -7.121 11.963 6.088 1.00 12.11 C ATOM 1871 CD2 TRP A 130 -4.916 11.986 5.693 1.00 24.41 C ATOM 1872 NE1 TRP A 130 -6.620 13.197 6.420 1.00 53.13 N ATOM 1873 CE2 TRP A 130 -5.258 13.254 6.247 1.00 55.05 C ATOM 1874 CE3 TRP A 130 -3.570 11.797 5.318 1.00 31.11 C ATOM 1875 CZ2 TRP A 130 -4.313 14.262 6.462 1.00 20.33 C ATOM 1876 CZ3 TRP A 130 -2.622 12.823 5.476 1.00 63.44 C ATOM 1877 CH2 TRP A 130 -2.986 14.050 6.054 1.00 12.20 C ATOM 0 H TRP A 130 -6.477 9.163 7.375 1.00 5.23 H new ATOM 0 HA TRP A 130 -8.429 9.654 5.385 1.00 1.21 H new ATOM 0 HB2 TRP A 130 -5.417 9.200 5.339 1.00 21.41 H new ATOM 0 HB3 TRP A 130 -6.346 9.825 3.992 1.00 21.41 H new ATOM 0 HD1 TRP A 130 -8.153 11.663 6.193 1.00 12.11 H new ATOM 0 HE1 TRP A 130 -7.188 13.975 6.754 1.00 53.13 H new ATOM 0 HE3 TRP A 130 -3.262 10.849 4.903 1.00 31.11 H new ATOM 0 HZ2 TRP A 130 -4.599 15.190 6.935 1.00 20.33 H new ATOM 0 HZ3 TRP A 130 -1.604 12.666 5.150 1.00 63.44 H new ATOM 0 HH2 TRP A 130 -2.248 14.828 6.184 1.00 12.20 H new ATOM 1887 N ALA A 131 -7.845 6.590 5.542 1.00 52.05 N ATOM 1888 CA ALA A 131 -8.112 5.292 4.931 1.00 70.33 C ATOM 1889 C ALA A 131 -9.006 4.395 5.796 1.00 14.20 C ATOM 1890 O ALA A 131 -9.052 3.180 5.566 1.00 13.42 O ATOM 1891 CB ALA A 131 -6.776 4.621 4.596 1.00 12.43 C ATOM 0 H ALA A 131 -7.684 6.533 6.548 1.00 52.05 H new ATOM 0 HA ALA A 131 -8.679 5.452 4.014 1.00 70.33 H new ATOM 0 HB1 ALA A 131 -6.962 3.649 4.138 1.00 12.43 H new ATOM 0 HB2 ALA A 131 -6.218 5.249 3.901 1.00 12.43 H new ATOM 0 HB3 ALA A 131 -6.197 4.487 5.510 1.00 12.43 H new ATOM 1897 N ASP A 132 -9.706 4.964 6.777 1.00 42.31 N ATOM 1898 CA ASP A 132 -10.651 4.259 7.630 1.00 53.41 C ATOM 1899 C ASP A 132 -11.692 3.587 6.734 1.00 24.50 C ATOM 1900 O ASP A 132 -12.350 4.267 5.937 1.00 5.03 O ATOM 1901 CB ASP A 132 -11.292 5.253 8.609 1.00 33.40 C ATOM 1902 CG ASP A 132 -12.271 4.616 9.599 1.00 14.23 C ATOM 1903 OD1 ASP A 132 -13.112 3.778 9.204 1.00 42.12 O ATOM 1904 OD2 ASP A 132 -12.214 4.957 10.805 1.00 41.03 O ATOM 0 H ASP A 132 -9.626 5.955 7.003 1.00 42.31 H new ATOM 0 HA ASP A 132 -10.153 3.491 8.223 1.00 53.41 H new ATOM 0 HB2 ASP A 132 -10.503 5.755 9.168 1.00 33.40 H new ATOM 0 HB3 ASP A 132 -11.817 6.020 8.039 1.00 33.40 H new ATOM 1908 N GLY A 133 -11.789 2.265 6.825 1.00 24.13 N ATOM 1909 CA GLY A 133 -12.748 1.436 6.104 1.00 34.22 C ATOM 1910 C GLY A 133 -12.182 0.081 5.683 1.00 22.50 C ATOM 1911 O GLY A 133 -12.940 -0.783 5.236 1.00 25.22 O ATOM 0 H GLY A 133 -11.175 1.719 7.429 1.00 24.13 H new ATOM 0 HA2 GLY A 133 -13.624 1.276 6.733 1.00 34.22 H new ATOM 0 HA3 GLY A 133 -13.086 1.972 5.217 1.00 34.22 H new ATOM 1915 N LEU A 134 -10.871 -0.143 5.814 1.00 74.42 N ATOM 1916 CA LEU A 134 -10.217 -1.416 5.513 1.00 44.33 C ATOM 1917 C LEU A 134 -9.263 -1.757 6.656 1.00 30.53 C ATOM 1918 O LEU A 134 -8.572 -0.877 7.171 1.00 2.34 O ATOM 1919 CB LEU A 134 -9.436 -1.349 4.183 1.00 53.41 C ATOM 1920 CG LEU A 134 -10.220 -1.403 2.855 1.00 64.45 C ATOM 1921 CD1 LEU A 134 -11.098 -2.648 2.732 1.00 72.55 C ATOM 1922 CD2 LEU A 134 -11.066 -0.165 2.549 1.00 72.53 C ATOM 0 H LEU A 134 -10.222 0.573 6.140 1.00 74.42 H new ATOM 0 HA LEU A 134 -10.980 -2.187 5.410 1.00 44.33 H new ATOM 0 HB2 LEU A 134 -8.857 -0.425 4.187 1.00 53.41 H new ATOM 0 HB3 LEU A 134 -8.722 -2.173 4.178 1.00 53.41 H new ATOM 0 HG LEU A 134 -9.425 -1.441 2.110 1.00 64.45 H new ATOM 0 HD11 LEU A 134 -11.624 -2.629 1.778 1.00 72.55 H new ATOM 0 HD12 LEU A 134 -10.474 -3.540 2.785 1.00 72.55 H new ATOM 0 HD13 LEU A 134 -11.823 -2.664 3.546 1.00 72.55 H new ATOM 0 HD21 LEU A 134 -11.577 -0.300 1.596 1.00 72.53 H new ATOM 0 HD22 LEU A 134 -11.803 -0.024 3.339 1.00 72.53 H new ATOM 0 HD23 LEU A 134 -10.421 0.712 2.493 1.00 72.53 H new ATOM 1933 N ASN A 135 -9.222 -3.035 7.027 1.00 13.14 N ATOM 1934 CA ASN A 135 -8.342 -3.658 8.017 1.00 12.43 C ATOM 1935 C ASN A 135 -6.868 -3.314 7.760 1.00 4.04 C ATOM 1936 O ASN A 135 -6.450 -3.283 6.600 1.00 54.22 O ATOM 1937 CB ASN A 135 -8.576 -5.170 7.867 1.00 71.14 C ATOM 1938 CG ASN A 135 -7.582 -6.019 8.634 1.00 43.24 C ATOM 1939 OD1 ASN A 135 -7.331 -5.800 9.807 1.00 4.10 O ATOM 1940 ND2 ASN A 135 -6.968 -6.975 7.957 1.00 60.22 N ATOM 0 H ASN A 135 -9.854 -3.718 6.610 1.00 13.14 H new ATOM 0 HA ASN A 135 -8.563 -3.301 9.023 1.00 12.43 H new ATOM 0 HB2 ASN A 135 -9.583 -5.408 8.208 1.00 71.14 H new ATOM 0 HB3 ASN A 135 -8.526 -5.433 6.810 1.00 71.14 H new ATOM 0 HD21 ASN A 135 -6.263 -7.553 8.415 1.00 60.22 H new ATOM 0 HD22 ASN A 135 -7.199 -7.135 6.976 1.00 60.22 H new ATOM 1946 N VAL A 136 -6.056 -3.127 8.805 1.00 62.24 N ATOM 1947 CA VAL A 136 -4.619 -2.809 8.715 1.00 33.34 C ATOM 1948 C VAL A 136 -3.821 -3.669 9.700 1.00 1.14 C ATOM 1949 O VAL A 136 -3.915 -3.454 10.912 1.00 21.40 O ATOM 1950 CB VAL A 136 -4.356 -1.310 8.977 1.00 42.31 C ATOM 1951 CG1 VAL A 136 -2.859 -0.959 8.891 1.00 11.33 C ATOM 1952 CG2 VAL A 136 -5.079 -0.420 7.970 1.00 2.21 C ATOM 0 H VAL A 136 -6.386 -3.194 9.768 1.00 62.24 H new ATOM 0 HA VAL A 136 -4.290 -3.034 7.700 1.00 33.34 H new ATOM 0 HB VAL A 136 -4.729 -1.128 9.985 1.00 42.31 H new ATOM 0 HG11 VAL A 136 -2.723 0.105 9.082 1.00 11.33 H new ATOM 0 HG12 VAL A 136 -2.307 -1.534 9.634 1.00 11.33 H new ATOM 0 HG13 VAL A 136 -2.486 -1.199 7.896 1.00 11.33 H new ATOM 0 HG21 VAL A 136 -4.867 0.626 8.191 1.00 2.21 H new ATOM 0 HG22 VAL A 136 -4.734 -0.655 6.963 1.00 2.21 H new ATOM 0 HG23 VAL A 136 -6.153 -0.594 8.036 1.00 2.21 H new ATOM 1962 N ILE A 137 -2.990 -4.587 9.197 1.00 61.41 N ATOM 1963 CA ILE A 137 -2.109 -5.409 10.025 1.00 61.45 C ATOM 1964 C ILE A 137 -0.878 -4.644 10.537 1.00 52.21 C ATOM 1965 O ILE A 137 -0.275 -5.083 11.517 1.00 1.03 O ATOM 1966 CB ILE A 137 -1.683 -6.704 9.300 1.00 53.23 C ATOM 1967 CG1 ILE A 137 -1.111 -6.420 7.898 1.00 41.15 C ATOM 1968 CG2 ILE A 137 -2.850 -7.702 9.226 1.00 21.34 C ATOM 1969 CD1 ILE A 137 -0.245 -7.552 7.351 1.00 13.33 C ATOM 0 H ILE A 137 -2.911 -4.780 8.199 1.00 61.41 H new ATOM 0 HA ILE A 137 -2.699 -5.684 10.899 1.00 61.45 H new ATOM 0 HB ILE A 137 -0.884 -7.154 9.889 1.00 53.23 H new ATOM 0 HG12 ILE A 137 -1.935 -6.238 7.208 1.00 41.15 H new ATOM 0 HG13 ILE A 137 -0.519 -5.506 7.935 1.00 41.15 H new ATOM 0 HG21 ILE A 137 -2.524 -8.606 8.711 1.00 21.34 H new ATOM 0 HG22 ILE A 137 -3.175 -7.957 10.235 1.00 21.34 H new ATOM 0 HG23 ILE A 137 -3.679 -7.252 8.680 1.00 21.34 H new ATOM 0 HD11 ILE A 137 0.123 -7.283 6.361 1.00 13.33 H new ATOM 0 HD12 ILE A 137 0.600 -7.719 8.019 1.00 13.33 H new ATOM 0 HD13 ILE A 137 -0.839 -8.463 7.282 1.00 13.33 H new ATOM 1980 N GLY A 138 -0.477 -3.519 9.930 1.00 53.33 N ATOM 1981 CA GLY A 138 0.654 -2.753 10.437 1.00 51.01 C ATOM 1982 C GLY A 138 1.129 -1.642 9.509 1.00 33.40 C ATOM 1983 O GLY A 138 0.680 -1.498 8.374 1.00 41.02 O ATOM 0 H GLY A 138 -0.917 -3.128 9.097 1.00 53.33 H new ATOM 0 HA2 GLY A 138 0.380 -2.315 11.397 1.00 51.01 H new ATOM 0 HA3 GLY A 138 1.484 -3.434 10.623 1.00 51.01 H new ATOM 1987 N VAL A 139 2.085 -0.865 10.009 1.00 4.02 N ATOM 1988 CA VAL A 139 2.904 0.096 9.293 1.00 63.11 C ATOM 1989 C VAL A 139 4.254 0.202 10.011 1.00 52.22 C ATOM 1990 O VAL A 139 4.297 0.192 11.246 1.00 60.52 O ATOM 1991 CB VAL A 139 2.166 1.449 9.148 1.00 21.14 C ATOM 1992 CG1 VAL A 139 1.485 1.879 10.425 1.00 41.31 C ATOM 1993 CG2 VAL A 139 3.050 2.580 8.614 1.00 55.02 C ATOM 0 H VAL A 139 2.322 -0.897 11.001 1.00 4.02 H new ATOM 0 HA VAL A 139 3.092 -0.235 8.272 1.00 63.11 H new ATOM 0 HB VAL A 139 1.399 1.259 8.397 1.00 21.14 H new ATOM 0 HG11 VAL A 139 0.983 2.834 10.266 1.00 41.31 H new ATOM 0 HG12 VAL A 139 0.751 1.128 10.717 1.00 41.31 H new ATOM 0 HG13 VAL A 139 2.228 1.987 11.215 1.00 41.31 H new ATOM 0 HG21 VAL A 139 2.464 3.496 8.540 1.00 55.02 H new ATOM 0 HG22 VAL A 139 3.887 2.739 9.294 1.00 55.02 H new ATOM 0 HG23 VAL A 139 3.429 2.311 7.628 1.00 55.02 H new ATOM 2003 N ALA A 140 5.354 0.292 9.264 1.00 4.00 N ATOM 2004 CA ALA A 140 6.711 0.523 9.763 1.00 41.25 C ATOM 2005 C ALA A 140 7.519 1.188 8.644 1.00 54.11 C ATOM 2006 O ALA A 140 6.938 1.843 7.780 1.00 55.11 O ATOM 2007 CB ALA A 140 7.337 -0.792 10.255 1.00 60.12 C ATOM 0 H ALA A 140 5.323 0.202 8.248 1.00 4.00 H new ATOM 0 HA ALA A 140 6.702 1.189 10.626 1.00 41.25 H new ATOM 0 HB1 ALA A 140 8.345 -0.600 10.622 1.00 60.12 H new ATOM 0 HB2 ALA A 140 6.730 -1.205 11.061 1.00 60.12 H new ATOM 0 HB3 ALA A 140 7.380 -1.505 9.432 1.00 60.12 H new ATOM 2013 N ARG A 141 8.843 1.047 8.635 1.00 64.24 N ATOM 2014 CA ARG A 141 9.657 1.342 7.466 1.00 4.14 C ATOM 2015 C ARG A 141 10.526 0.137 7.147 1.00 11.34 C ATOM 2016 O ARG A 141 10.719 -0.724 8.011 1.00 11.44 O ATOM 2017 CB ARG A 141 10.478 2.625 7.680 1.00 40.21 C ATOM 2018 CG ARG A 141 11.736 2.503 8.554 1.00 55.02 C ATOM 2019 CD ARG A 141 11.502 2.561 10.059 1.00 24.30 C ATOM 2020 NE ARG A 141 12.767 2.907 10.720 1.00 23.12 N ATOM 2021 CZ ARG A 141 13.572 2.126 11.445 1.00 55.25 C ATOM 2022 NH1 ARG A 141 13.245 0.878 11.748 1.00 55.25 N ATOM 2023 NH2 ARG A 141 14.724 2.622 11.877 1.00 11.32 N ATOM 0 H ARG A 141 9.379 0.724 9.441 1.00 64.24 H new ATOM 0 HA ARG A 141 9.016 1.532 6.605 1.00 4.14 H new ATOM 0 HB2 ARG A 141 10.778 3.003 6.703 1.00 40.21 H new ATOM 0 HB3 ARG A 141 9.826 3.376 8.126 1.00 40.21 H new ATOM 0 HG2 ARG A 141 12.231 1.561 8.318 1.00 55.02 H new ATOM 0 HG3 ARG A 141 12.425 3.302 8.281 1.00 55.02 H new ATOM 0 HD2 ARG A 141 10.738 3.302 10.294 1.00 24.30 H new ATOM 0 HD3 ARG A 141 11.137 1.600 10.422 1.00 24.30 H new ATOM 0 HE ARG A 141 13.072 3.874 10.611 1.00 23.12 H new ATOM 0 HH11 ARG A 141 12.358 0.491 11.426 1.00 55.25 H new ATOM 0 HH12 ARG A 141 13.880 0.305 12.304 1.00 55.25 H new ATOM 0 HH21 ARG A 141 14.981 3.584 11.654 1.00 11.32 H new ATOM 0 HH22 ARG A 141 15.353 2.042 12.432 1.00 11.32 H new ATOM 2034 N ASP A 142 11.136 0.174 5.969 1.00 52.14 N ATOM 2035 CA ASP A 142 12.070 -0.836 5.474 1.00 32.42 C ATOM 2036 C ASP A 142 11.398 -2.217 5.453 1.00 11.20 C ATOM 2037 O ASP A 142 10.179 -2.326 5.343 1.00 13.51 O ATOM 2038 CB ASP A 142 13.405 -0.826 6.256 1.00 75.33 C ATOM 2039 CG ASP A 142 14.099 0.529 6.312 1.00 20.51 C ATOM 2040 OD1 ASP A 142 14.337 1.159 5.257 1.00 54.43 O ATOM 2041 OD2 ASP A 142 14.466 0.961 7.428 1.00 75.44 O ATOM 0 H ASP A 142 10.990 0.935 5.306 1.00 52.14 H new ATOM 0 HA ASP A 142 12.334 -0.586 4.446 1.00 32.42 H new ATOM 0 HB2 ASP A 142 13.216 -1.165 7.275 1.00 75.33 H new ATOM 0 HB3 ASP A 142 14.083 -1.548 5.800 1.00 75.33 H new ATOM 2045 N ASP A 143 12.204 -3.274 5.508 1.00 64.45 N ATOM 2046 CA ASP A 143 11.905 -4.665 5.185 1.00 43.55 C ATOM 2047 C ASP A 143 11.986 -5.574 6.418 1.00 51.22 C ATOM 2048 O ASP A 143 12.039 -6.794 6.282 1.00 21.21 O ATOM 2049 CB ASP A 143 12.856 -5.139 4.057 1.00 40.44 C ATOM 2050 CG ASP A 143 14.355 -5.031 4.369 1.00 62.11 C ATOM 2051 OD1 ASP A 143 14.748 -4.405 5.381 1.00 75.42 O ATOM 2052 OD2 ASP A 143 15.196 -5.497 3.562 1.00 64.25 O ATOM 0 H ASP A 143 13.173 -3.168 5.808 1.00 64.45 H new ATOM 0 HA ASP A 143 10.875 -4.730 4.834 1.00 43.55 H new ATOM 0 HB2 ASP A 143 12.625 -6.178 3.823 1.00 40.44 H new ATOM 0 HB3 ASP A 143 12.646 -4.557 3.160 1.00 40.44 H new ATOM 2056 N SER A 144 12.017 -5.020 7.633 1.00 32.22 N ATOM 2057 CA SER A 144 12.072 -5.803 8.871 1.00 20.13 C ATOM 2058 C SER A 144 10.780 -6.610 9.085 1.00 44.11 C ATOM 2059 O SER A 144 10.847 -7.768 9.498 1.00 52.24 O ATOM 2060 CB SER A 144 12.412 -4.853 10.036 1.00 31.31 C ATOM 2061 OG SER A 144 12.025 -5.295 11.332 1.00 62.42 O ATOM 0 H SER A 144 12.005 -4.012 7.787 1.00 32.22 H new ATOM 0 HA SER A 144 12.860 -6.554 8.810 1.00 20.13 H new ATOM 0 HB2 SER A 144 13.489 -4.683 10.038 1.00 31.31 H new ATOM 0 HB3 SER A 144 11.937 -3.891 9.845 1.00 31.31 H new ATOM 0 HG SER A 144 12.286 -4.625 11.998 1.00 62.42 H new ATOM 2066 N GLU A 145 9.601 -6.035 8.831 1.00 64.31 N ATOM 2067 CA GLU A 145 8.345 -6.611 9.311 1.00 21.13 C ATOM 2068 C GLU A 145 7.759 -7.666 8.358 1.00 3.33 C ATOM 2069 O GLU A 145 6.636 -8.115 8.568 1.00 71.31 O ATOM 2070 CB GLU A 145 7.335 -5.498 9.645 1.00 33.32 C ATOM 2071 CG GLU A 145 7.856 -4.500 10.693 1.00 72.13 C ATOM 2072 CD GLU A 145 6.742 -3.932 11.578 1.00 53.02 C ATOM 2073 OE1 GLU A 145 5.700 -3.459 11.073 1.00 42.04 O ATOM 2074 OE2 GLU A 145 6.851 -4.011 12.822 1.00 55.12 O ATOM 0 H GLU A 145 9.492 -5.173 8.297 1.00 64.31 H new ATOM 0 HA GLU A 145 8.569 -7.152 10.230 1.00 21.13 H new ATOM 0 HB2 GLU A 145 7.084 -4.958 8.732 1.00 33.32 H new ATOM 0 HB3 GLU A 145 6.413 -5.951 10.011 1.00 33.32 H new ATOM 0 HG2 GLU A 145 8.597 -4.994 11.322 1.00 72.13 H new ATOM 0 HG3 GLU A 145 8.364 -3.680 10.186 1.00 72.13 H new ATOM 2079 N VAL A 146 8.482 -8.099 7.324 1.00 35.23 N ATOM 2080 CA VAL A 146 7.948 -9.015 6.312 1.00 44.53 C ATOM 2081 C VAL A 146 7.474 -10.337 6.912 1.00 63.12 C ATOM 2082 O VAL A 146 6.463 -10.876 6.474 1.00 54.52 O ATOM 2083 CB VAL A 146 8.983 -9.214 5.190 1.00 33.14 C ATOM 2084 CG1 VAL A 146 8.509 -10.177 4.093 1.00 20.04 C ATOM 2085 CG2 VAL A 146 9.282 -7.864 4.536 1.00 23.03 C ATOM 0 H VAL A 146 9.452 -7.826 7.164 1.00 35.23 H new ATOM 0 HA VAL A 146 7.057 -8.561 5.877 1.00 44.53 H new ATOM 0 HB VAL A 146 9.868 -9.647 5.656 1.00 33.14 H new ATOM 0 HG11 VAL A 146 9.285 -10.273 3.333 1.00 20.04 H new ATOM 0 HG12 VAL A 146 8.306 -11.155 4.530 1.00 20.04 H new ATOM 0 HG13 VAL A 146 7.599 -9.788 3.636 1.00 20.04 H new ATOM 0 HG21 VAL A 146 10.015 -7.999 3.740 1.00 23.03 H new ATOM 0 HG22 VAL A 146 8.364 -7.451 4.118 1.00 23.03 H new ATOM 0 HG23 VAL A 146 9.681 -7.178 5.283 1.00 23.03 H new ATOM 2095 N ASP A 147 8.133 -10.783 7.979 1.00 74.14 N ATOM 2096 CA ASP A 147 7.738 -11.951 8.770 1.00 4.10 C ATOM 2097 C ASP A 147 6.269 -11.851 9.174 1.00 14.23 C ATOM 2098 O ASP A 147 5.482 -12.773 8.965 1.00 20.14 O ATOM 2099 CB ASP A 147 8.646 -12.000 10.005 1.00 62.33 C ATOM 2100 CG ASP A 147 8.457 -13.205 10.936 1.00 75.45 C ATOM 2101 OD1 ASP A 147 7.350 -13.768 11.073 1.00 55.52 O ATOM 2102 OD2 ASP A 147 9.475 -13.603 11.550 1.00 55.53 O ATOM 0 H ASP A 147 8.979 -10.332 8.328 1.00 74.14 H new ATOM 0 HA ASP A 147 7.849 -12.865 8.187 1.00 4.10 H new ATOM 0 HB2 ASP A 147 9.683 -11.986 9.669 1.00 62.33 H new ATOM 0 HB3 ASP A 147 8.486 -11.091 10.584 1.00 62.33 H new ATOM 2106 N LYS A 148 5.867 -10.689 9.701 1.00 74.45 N ATOM 2107 CA LYS A 148 4.496 -10.492 10.155 1.00 60.05 C ATOM 2108 C LYS A 148 3.595 -10.073 9.005 1.00 52.51 C ATOM 2109 O LYS A 148 2.380 -10.221 9.126 1.00 34.24 O ATOM 2110 CB LYS A 148 4.417 -9.527 11.348 1.00 41.54 C ATOM 2111 CG LYS A 148 5.169 -8.207 11.156 1.00 42.41 C ATOM 2112 CD LYS A 148 5.026 -7.255 12.346 1.00 1.31 C ATOM 2113 CE LYS A 148 4.266 -5.995 11.961 1.00 1.23 C ATOM 2114 NZ LYS A 148 4.266 -5.028 13.074 1.00 40.15 N ATOM 0 H LYS A 148 6.473 -9.877 9.821 1.00 74.45 H new ATOM 0 HA LYS A 148 4.126 -11.451 10.519 1.00 60.05 H new ATOM 0 HB2 LYS A 148 3.369 -9.306 11.550 1.00 41.54 H new ATOM 0 HB3 LYS A 148 4.813 -10.029 12.231 1.00 41.54 H new ATOM 0 HG2 LYS A 148 6.226 -8.418 10.993 1.00 42.41 H new ATOM 0 HG3 LYS A 148 4.800 -7.713 10.257 1.00 42.41 H new ATOM 0 HD2 LYS A 148 4.505 -7.762 13.159 1.00 1.31 H new ATOM 0 HD3 LYS A 148 6.014 -6.986 12.719 1.00 1.31 H new ATOM 0 HE2 LYS A 148 4.722 -5.544 11.080 1.00 1.23 H new ATOM 0 HE3 LYS A 148 3.240 -6.250 11.694 1.00 1.23 H new ATOM 0 HZ1 LYS A 148 3.700 -4.196 12.811 1.00 40.15 H new ATOM 0 HZ2 LYS A 148 3.856 -5.473 13.920 1.00 40.15 H new ATOM 0 HZ3 LYS A 148 5.242 -4.732 13.277 1.00 40.15 H new ATOM 2124 N TRP A 149 4.142 -9.553 7.914 1.00 40.33 N ATOM 2125 CA TRP A 149 3.403 -9.135 6.736 1.00 12.24 C ATOM 2126 C TRP A 149 3.421 -10.243 5.666 1.00 4.11 C ATOM 2127 O TRP A 149 3.552 -9.933 4.478 1.00 12.30 O ATOM 2128 CB TRP A 149 3.997 -7.829 6.213 1.00 53.35 C ATOM 2129 CG TRP A 149 3.983 -6.646 7.122 1.00 61.35 C ATOM 2130 CD1 TRP A 149 3.215 -6.497 8.220 1.00 22.13 C ATOM 2131 CD2 TRP A 149 4.761 -5.418 7.002 1.00 31.12 C ATOM 2132 NE1 TRP A 149 3.439 -5.260 8.769 1.00 0.33 N ATOM 2133 CE2 TRP A 149 4.353 -4.528 8.037 1.00 52.25 C ATOM 2134 CE3 TRP A 149 5.772 -4.972 6.124 1.00 23.00 C ATOM 2135 CZ2 TRP A 149 4.885 -3.236 8.156 1.00 32.20 C ATOM 2136 CZ3 TRP A 149 6.315 -3.677 6.233 1.00 4.32 C ATOM 2137 CH2 TRP A 149 5.859 -2.804 7.238 1.00 55.04 C ATOM 0 H TRP A 149 5.147 -9.407 7.825 1.00 40.33 H new ATOM 0 HA TRP A 149 2.359 -8.961 6.995 1.00 12.24 H new ATOM 0 HB2 TRP A 149 5.032 -8.021 5.929 1.00 53.35 H new ATOM 0 HB3 TRP A 149 3.462 -7.558 5.303 1.00 53.35 H new ATOM 0 HD1 TRP A 149 2.530 -7.237 8.607 1.00 22.13 H new ATOM 0 HE1 TRP A 149 2.985 -4.921 9.617 1.00 0.33 H new ATOM 0 HE3 TRP A 149 6.136 -5.636 5.354 1.00 23.00 H new ATOM 0 HZ2 TRP A 149 4.550 -2.579 8.945 1.00 32.20 H new ATOM 0 HZ3 TRP A 149 7.082 -3.354 5.545 1.00 4.32 H new ATOM 0 HH2 TRP A 149 6.257 -1.802 7.304 1.00 55.04 H new ATOM 2147 N SER A 150 3.347 -11.520 6.064 1.00 31.43 N ATOM 2148 CA SER A 150 3.193 -12.658 5.156 1.00 32.13 C ATOM 2149 C SER A 150 2.639 -13.918 5.865 1.00 4.31 C ATOM 2150 O SER A 150 2.776 -15.020 5.330 1.00 43.51 O ATOM 2151 CB SER A 150 4.546 -12.935 4.472 1.00 13.50 C ATOM 2152 OG SER A 150 4.354 -13.730 3.314 1.00 71.11 O ATOM 0 H SER A 150 3.394 -11.793 7.046 1.00 31.43 H new ATOM 0 HA SER A 150 2.449 -12.401 4.402 1.00 32.13 H new ATOM 0 HB2 SER A 150 5.024 -11.994 4.201 1.00 13.50 H new ATOM 0 HB3 SER A 150 5.215 -13.445 5.165 1.00 13.50 H new ATOM 0 HG SER A 150 3.754 -14.476 3.525 1.00 71.11 H new ATOM 2157 N LYS A 151 2.086 -13.790 7.080 1.00 3.52 N ATOM 2158 CA LYS A 151 1.719 -14.925 7.933 1.00 64.14 C ATOM 2159 C LYS A 151 0.500 -15.643 7.392 1.00 35.10 C ATOM 2160 O LYS A 151 -0.512 -14.975 7.096 1.00 42.44 O ATOM 2161 CB LYS A 151 1.478 -14.487 9.378 1.00 11.41 C ATOM 2162 CG LYS A 151 2.721 -13.834 9.994 1.00 40.43 C ATOM 2163 CD LYS A 151 2.615 -13.536 11.497 1.00 63.42 C ATOM 2164 CE LYS A 151 1.840 -12.264 11.869 1.00 21.10 C ATOM 2165 NZ LYS A 151 0.398 -12.344 11.585 1.00 15.40 N ATOM 0 H LYS A 151 1.880 -12.884 7.501 1.00 3.52 H new ATOM 0 HA LYS A 151 2.560 -15.618 7.926 1.00 64.14 H new ATOM 0 HB2 LYS A 151 0.645 -13.784 9.410 1.00 11.41 H new ATOM 0 HB3 LYS A 151 1.188 -15.351 9.976 1.00 11.41 H new ATOM 0 HG2 LYS A 151 3.578 -14.487 9.827 1.00 40.43 H new ATOM 0 HG3 LYS A 151 2.923 -12.902 9.467 1.00 40.43 H new ATOM 0 HD2 LYS A 151 2.138 -14.386 11.985 1.00 63.42 H new ATOM 0 HD3 LYS A 151 3.623 -13.458 11.906 1.00 63.42 H new ATOM 0 HE2 LYS A 151 1.981 -12.061 12.931 1.00 21.10 H new ATOM 0 HE3 LYS A 151 2.262 -11.420 11.324 1.00 21.10 H new ATOM 0 HZ1 LYS A 151 -0.120 -11.727 12.243 1.00 15.40 H new ATOM 0 HZ2 LYS A 151 0.219 -12.036 10.608 1.00 15.40 H new ATOM 0 HZ3 LYS A 151 0.075 -13.325 11.704 1.00 15.40 H new